final program

\Ν*4^Φ>+>, D.& final program

American Chemical Society 220th National Meeting August 20-24, 2000

f i n a l p r o g r a m

At the national meeting in Washington, D.C., 27 of the society's techn ica l divisions, one secretariat,

and four committees will participate in more than 619 technical sessions. More than 5,500 papers will be presented.

Seven areas of concentrated programming have been identified for this meeting. In the technical program that begins on page 58, symposia that fall within these themes are identified by a symbol that immediately precedes the

ACS support for divisions and local sections

An ACS Presidential Task Force has been created to review the society's support to local sections and divisions, including issues of allocation and council representation. The task force sponsored discussions of these issues at sessions of Local Section and Divisional Activities Committees during the San Francisco national meeting, and will do so at the Divisional Officer's Caucus during the meeting in Washington, D.C. Any ACS member wishing to comment on issues relating to the task force's charge may do so before July 31 via e-mail (acssupport® acs.org), or by mailing comments to American Chemical Society, Office of the Secretary, 1155— 16th St, N.W., Washington, DC 20036, Attn: Support

session title. A symbol key appears throughout the program.

The ACS presidential events—two plenary sessions, three panel discussions, and a reception—will focus on successful models that can be used in both academe and industry to accelerate the momentum of achieving minority representation in the chemical sciences. The first plenary, "Accelerating the Momentum: Successful Tools for the 21st Century," will be highlighted with opening remarks by Warren F. (Pete) Miller of Los Alamos National Lab and closing comments on diversity by retired Army Gen. Colin L Powell. The second plenary session is titled "Online Preprints: Implications for Chemistry." National Science Foundation Director Rita R Colwell will speak on her agency's role in chemical research during a presidential reception celebrating NSFs 50th anniversary.

Other special events include a Technology Transfer Fair, where participants will be invited to make a technical show-and-tell presentation that describes their technology development Russian nuclear scientist Aleksandr Nikitin will discuss his acquittal on treason and espionage charges by the Russian Supreme Court And Sci-Mix—an interdivisional poster session and mixer—will be held Monday evening from 8 to 10 PM.

The exposition will be open Monday through Wednesday, with more than

260 companies exhibiting a wide range of products and services of interest to the chemical community.

Classification of registrant

MEMBER ACS member or

national affiliate Member (emeritus) Member (retired) Graduate student,

less than postdoctoral Undergraduate student Precollege teacher 50-year member Unemployed (NECH waiver) One-day registrant

NONMEMBER Chemical scientist

(U.S. resident who is eligible for membership)

Visitor, nonchemical scientist or chemical technician or non-U.S. resident

Graduate student, less than postdoctoral

Undergraduate student One-day registrant Precollege teacher Guest of registrant

EXPOSITION VISITORS Adult Student

On-site fee

$295

150 150 35

30 30

No fee No fee

150

$510

295

245

125 295 30

No fee

$35 10

5 2 JULY 24,2000 C&EN

W*jA*4fe», b.C. American Chemical Society

220th National Meeting August 20-24, 2000

http://acs.org

Changes and additions to scheduled social events

Saturday, Aug. 19 Social Hour Meal, 6:30 PM 112 Division of Chemical Education, Phillips Flagship Restaurant. $35

Sunday, Aug. 20 Reception, 5 PM Division of Chemistry & the Law, FoxKiser, 750—17th St., N.W. NT

Social Hour Meal, 6 PM 113 Division of Chemical Technicians Speakers Dinner, Wyndham Bristol Hotel. $45

Monday, Aug. 21 Reception, 4 PM OLGA Awards, Mayflower Hotel. NT

Reception, 5:30 PM Wayne State University, Department of Chemistry, Henley Park Hotel. NT

Social Hour, 6 PM Chinese American Chemical Society, Marriott Metro Center. NT

Reception, 6 PM Division of Organic Chemistry, Tetrahedron Prize Reception, Cosmos Club. NT

Dinner, 6 PM 114 Analytical Division Dinner, Phillips Flagship Restaurant. $32

Reception, 6:30 PM Division of Polymeric Materials: Science & Engineering, Tess Award Reception, JW Marriott Hotel. NT

Social Hour Meal, 6:30 PM 115 Division of Carbohydrate Chemistry, Isbell/Wolfrom Awards Dinner, University Club of Washington. $50

Tuesday, Aug. 22 Luncheon, noon Alpha Chi Sigma Fraternity, Capital City Brewing Co. COD

Dinner, 6 PM 116 Division of Agricultural & Food Chemistry, Phillips Flagship Restaurant Tickets available only at the AGFD hospitality desk

Dinner, 6 PM 117 Division of Petroleum Chemistry and Division of Fuel Chemistry, Odyssey Cruise. $50

Social Hour, 6:30 PM 118 Division of Environmental Chemistry, BET Jazz Restaurant $56

The deadline for advance registration for the Washington meeting was July 21 . On-site registration facilities and badge replacement services will be located in the Washington Convention Center. The hours for registration will be Saturday, Aug. 19,3 to 6 PM; Sunday, Aug. 20, 7:30 AM to 7 PM; Monday, Aug. 21, and Tuesday, Aug. 22,7:30 AM to 5 PM; Wednesday, Aug. 23, 7:30 AM to 4 PM; and Thursday, Aug. 24, 7:30 to 10:30 AM. Badge cases and booklet programs will be available in the registration area.

To take advantage of the special ACS rates, be sure to book your reservation by Friday, July 28. After that date, ACS room blocks will be released, hotels may charge higher rates, and you may be responsible for finding alternative hotel accommodations. When making a reservation, please provide room- and bed-type preferences. Special requests cannot be guaranteed. Hotels will assign specific room types upon check-in, based on availability.

For best availability and immediate confirmation, make your reservation via

Meeting information on the Web

The official final version of the technical program is the Web version: www.acs.org/meetings/washington 2000/. The information on this site will be updated as the meeting nears. Also be sure to pick up an on-site program booklet at the meeting because some locations may change after C&EN's press time.

the Internet or by phone. Faxed or mailed housing requests will take longer to process, and choice hotels may not be available.

To make a reservation, choose one of the following methods:

• Internet: Visit the ACS website at h t tp : / /www.acs .org/meet ings / washington2000.

• Telephone: Call the ACS Housing Bureau at (888) 244-2365 or (312) 396-2133 (for international) from 9 AM to 8 PM EST, Monday through Friday.

• Fax: Only fully completed forms with credit card deposits will be accepted by fax at (312) 705-2562. Use one form per request; make copies as needed.

If you are unable to make your reservation via the Internet or by telephone and need the housing form faxed to you, you can use our fax-back service. To use this service, you must be in the U.S., Canada, or Mexico. Call toll-free (877) 227-0505 and follow prompts to have the forms delivered to your fax machine. Request document 2020 to receive a housing form.

Reservations made via the Internet

and telephone are real-time, online transactions and are confirmed instantly. Reservations made by fax or mail will be processed by the ACS Housing Bureau on a first-come, first-served basis and will take 10 to 14 days to be confirmed. If the hotels of your choice are filled, the housing bureau will assign the best possible arrangements elsewhere according to the location and rate preferences you have indicated on the housing form. Be sure to provide all the information requested on the ACS housing form.

Project SEED More than 50 high school students representing ACS's Project SEED program will present their summer research findings at Set-Mix. Project SEED places economically disadvantaged students in research opportunities for eight to 10 weeks during the summer. Sci-Mix gives these students an opportunity to present their research findings alongside chemists, chemical engineers, and college students.

JULY 24,2000 C&EN 5 3

Washington, D.C. REGISTRATION

Washington, D.C.

HOUSING

http://www.acs.org/meetings/washington

http://www.acs.org/meetings/

CAREER RESOURCE CENTER 220th ACS National Meeting

Washington, D.C. •August 20-23,2000

T he ACS Career Resource Center (CRC) offers a wealth of professional development programs and services to enhance your career potential* All

programs and services are open to all ACS members and national and student affiliates. All CRC participants must be registered for the national meeting.

NATIONAL EMPLOYMENT CLEARING HOUSE (NECH) NECH brings together employers seeking candidates and chemical professionals seeking employment to participate in on-site screening interviews for current job openings. More than 100 employers attend NECH to review résumés of on-site candidates.

NECH will be held at the Career Resource Center in Hall A of the Washington Convention Center and will operate on Sunday, August 20 from 1 to 7 pm and Monday through Wednesday, August 21-23 from 8 am to 5:30 pm. An ACS national meeting badge must be visible to gain access to the NECH hall.

SIGN-UP FOR JOB SEEKERS AND EMPLOYERS • Saturday, August 19, 3-6 pm • Sunday, August 20,1-7 pm • Monday, August 21,8 am-5:30 pm

J O B SEEKERS: Submit 25 copies of your résumé (2-page maximum, single sided) at sign-up. All résumés will be electronically scanned into the NECH database and provided to employers in a keyword-searchable format. For information on preparing a scannable résumé, please visit the Career Services website at www.acs.org/careers or call (800) 227-5558 to request an explanatory guide. NECH does not provide copying services; however, copying facilities are available for a fee in the convention center. For further instruction on how to sign up in advance or on-site at NECH, go to www.acs.org/careers and click on job seekers or see the June 19 issue of C&EN.

E M P L O Y E R S : Submit ail job descriptions in typed format. A separate Position Form must be provided for each job description. For further instruction on how to sign up in advance or on-site at NECH, go to www.acs.org/ careers and click on Employers or see the June 19 issue of C&EN.

For more information on NECH, please call (800) 227-5558, ext. 6204, or e-mail Kemie Smith at [email protected].

http://www.acs.org/careers

http://www.acs.org/careers

http://www.acs.org/

mailto:[email protected]

CAREER DEVELOPMENT PROGRAMS M() ( Κ INTFRVIEVVS-Videotape a practice interview and receive immediate feedback. Come dressed for an interview and bring a copy of your résumé.

RÉSUMÉ REVIEWS-Get a one-on-one 1/2-hour appointment with a career consultant. Bring a copy of your résumé.

TECHNICAL PRESENTATION REVIEWS-Brush up on your oral communication skills by giving a 15-minute research presentation. Videotaped presentation will be critiqued by expert reviewers.

CAREER RESOURCE LiBRARY-stop by and peruse a variety of resource materials and view career development videos.

ASK THE EXPERT-Bring your lunch and get answers to your career questions. Different experts each day.

LIFETIMES IN CHEMISTRY-Attend symposia on issues and results from the Mature Career Chemists Study. Featured keynote speakers include Mary Good and Gordon McCarty. Monday, August 21 from 9 am to noon in the Workshop Room.

PROGRAM SCHEDULE (A) Amphitheater (W) Workshop Room

SUNDAY Targeting the Job Market (A) What Is Industry Really Like? (W) Résumé Preparation (A) Interviewing 101: Basic Skills (A) Tough Interview Questions (A)

2-3 pm 3-5 pm 3-4 pm 4-5 pm 5-6 pm

2-3 pm

3-4 pm

MONDAY Targeting the Job Market (A) 9-10 am Networking (A) 10-11 am Interviewing 101: Basic Skills (A) 11 am-noon Ask the Expert about

Job Searching Skills (A) noon-1 pm So You Want To Be a Consultant (W) 12:30-2:30 pm Employment Trends & Marketability (A) 2-3 pm Personal Assessment (A) 3-4 pm

TUESDAY Managing an Effective Job Search (W) 8:30 am-noon Electronic Job Searching (A) 10-11 am Interviewing 102:

Behavior-Based Questions (A) 11 am-noon Ask The Expert:

Employment Outlook (A) noon-1 pm Enhancing Your Career (W) 1-4 pm Opportunities and Challenges

for Foreign-Bom Chemists (A) 1-2 pm

Résumé Preparation (A) Career Strategies:

The Nine Steps for Success I (A)

WEDNESDAY Managing an Effective Job Search (W) 8:30 am-noon Global Employment Opportunities (A) 10-11 am Career Transitions (A) 11 am-noon Ask the Expert about Career

Transitioning (A) noon-1 pm Career Strategies:

The Nine Steps for Success II (W) 1-4 pm Electronic Job Searching (A) 1-2 pm Finding Jobs in Small Companies (A) 2-3 pm Opportunities and Challenges for

Foreign-Bom Chemists (A) 3-4 pm

STUDENT AFFILIATES PROGRAM It's Your Career: Take Charge. Saturday, August 19, 4:30-6 pm, J.W. Marriott Hotel. For undergraduate students. Come find out how to use ACS career resources to your advantage and how to launch your career.

For more information on any of these programs, contact ACS Career Services, (800) 227-5558, ext. 6153, or e-mail [email protected].


Undergraduate Program at the 220th ACS National Meeting Washington, DC · August 20-24,2000

• Undergraduate chemical science students: Come and be a part of the 4 ACS national meeting in Washington! You are invited to the three-day

program, which has been planned especially for undergraduates!

SATURDAY, AUGUST 19 4:30-6 p.m. It's Your Career—Take Charge J.W. Marriott, Salon IV (Department of Career Services). This interactive workshop will focus on developing skills and strategies for entering the job market.

1-2:30 p.m. Posters and PowerPoint Presentations: Tips for Success Hotel Washington, Washington This session will help you prepare effective presentations that will convey a clear and concise message.

6:30-7 p.m. Getting the Most out of an ACS National Meeting J.W. Marriott, Salon IV Explore undergraduate programs and activities and other Divisional programs that will be held in Washington. DC.

7-9:30 p.m. Student Kick-Off Social Hotel Washington, Ballroom

SUNDAY, AUGUST 20 8:30 a.m.-5 p.m. Undergraduate Hospitality Center Hotel Washington, Parkview The center will be open on Sunday and Monday. Breakfast will be served both

9-10:30 a.m. How To Build a Successful SA Chapter Hotel Washington, Washington Undergraduate participants will share their strategies for overcoming obstacles to achieve the objectives and goals of their successful SA chapters.

^a.m.-ipkoon* Kids & Chemistry Workshop Hotel Washington, Ballroom This workshop will help you develop appropriate community outreach projects for children ages 9-12. To preregister. e-mail [email protected].

10:45 a f m . ~ S 4 5 p.m. % ChemicaTlnforifJption Symposia Hotel Washington, Federal (Division of Chemical Information). This symposium will introduce the field of chemical information and describe how undergraduates may use chemical #formation resources.

2:45-4:15 p.i Internship Panel Hotel Washington, Washington Students who have participated in internships will discuss their experiences and answer questions.

Presidential Event (Committee on Minority Affairs). Warren F. Miller. Jr. (Los Alamos National Laboratory) will be the featured speaker. Closing remarks on diversity will be presented by General Colin L. Powell. USA (Retired).

^4:^0^6 b-rn? UTpmzing an Effective Undergraduate Research Program Hotel Washington, Washington Have you ever wanted to start a research program at yoitr university? The Duquesne University (Pittsburgh, PA) SAACS chapter will show you how to get started and obtain fundina.

"Chemistry Survival Guide: Learning How To Learn Chemistry Hotel Washington, Ballroom (Division of Chemical Education, Inc.) This exciting event will help you face the challenges of learning chemistry.

MONDAY, AUGUST 21 9-11 a.m. m Chemistry in Art Conservation Hotel Washington, Ballroom This exciting symposium will discuss how chemistry and ari have come together to explain the creation ftf works^f art and the ise of chejnistry to preserve art.

11:15 a.m.-12:30 p.m. Fun with Food: NCW and SA Join Forces flbtel Washington, Washington

National Chemistry Week (NCW) Task Force members will discuss NCW outreach programs and highlight how to select activities for your audience.

12:45-2:15 p.m. Graduation—Whats Next? Marriott Metro Center, Salon D (Younger Chemists Committee). This panel discussion will focus on the opportunities available for those who plan to attend graduate school.

IBISES Green Chemistry: Applications in Academia and Industry Renaissance (Division of International and Engineering Chemistry). This symposium will discuss advances in green chemistry in academia and industry.

Undergraduate Research Poster Session Convention Center (Division of Chemical Education, Inc.) tiling Eminent Scientist Lecture with Cynthia Friend, Harvard University, Cambridge, MA Hotel Washington, Ballroom Friend will discuss the role of surface chemistry in technologies such as the fabrication of optical and electronic devices. 6-7:30 p.m. ACS Corporation Associates: Up Close and Personal Hotel Washington, Washington Undergraduates can participate in roundtable discussions with chemists from industry.

8-10:30 D.m. Sci-Mix/Successful SA Chapter Poster Session Convention Center

lOESrJAY, AUGUSTA 9:30-11 a.m. Help Plan Future ACS Meetings Hotel Washington, Parwiew

All events are sponsored or cosponsored by U M ACS Society Committee on Education, Task Force on Undergraduate Programming at National Meetings (program chair: Ingrid MonfR, University of Puerto Rico. Rio Piedras rampus; general chair: Reginald P. T. Tomkins,

New»Jersey Institute of Technology). For more information, contact the ACS SA Program at 800-227-5558 or [email protected].

<2:3XMf pvm:

6:1&^-p^mr""

Μ»5§-&45 p.m.



ACS 2000 Fall National Meeting · August 20-24, 2000 · Washington, DC

Join us in the celebration of the American Chemical Society • Members - receive a special

gift when you sign-up * to participate in our Member Get-A-Member program. Find out how you can get unlimited FREE gifts!

• Nonmembers - save money on registration by becoming a member on-site -you'll also get free 'thank-you' gifts

• Daily prize drawings - the grand prize is a FREE ACS membership for one year!

Purchase special chemistry related merchan- <· dise - you'll also have the opportunity to buy new items before they are ^ available in the product catalog

"Meet 'n Greet" the ACS mole - he'll be making special appearances during the meeting

Play the "Whack-A-Mole" game and win prizes at

come celebrate with us!

Sci-Mix - and be sure to get your balloon sculpture at the Membership Division table

I Interactive presentations at Booth #630 (sponsored by the Local Section Speakers Bureau):

August 21, 2:30pm, Carolyn Fisher, "Spices and Herbs:

Chemistry and Health"

August 22, 11:00am, James O'Brien, "Famous Mad Hatters"

dtopby locations to

'participate in the festivities! • Member Resource

Center - located •near the main registration area

• Membership Division Booth -Exhibit Hall Booth #630

Office of Community Activities - Exhibit Hall Booth #835

Sci-Mix - Monday, August 21 at 8:00 pm

American Chemical Society Membership Division

Celebrate Membership... Celebrate ACS...

PRES/CEPA/SOCED/WCC/YCC/CATL/AGFD/TECHNICAL PROGRAM

PRES

PRESIDENTIAL EVENT D. H. Busch, Program Chair

SUNDAY AFTERNOON Section A

Convention Center Room 39 Online Preprints: Implications for Chemistry D. H. Busch, Organizer 4:00—Plenary Lecture. Online preprints:

Implications for chemistry.

Section Β Renaissance Washington Grand North Accelerating the Momentum: Successful Tools for the 21st Century Chemistry Cosponsored by Committee on Corporation Associates, Society Committee on Education, Committee on Science, Project SEED, Committee on Chemists with Disabilities, Women Chemists Committee, and Younger Chemists Committee 2:30—Introductory Plenary. W. F. Miller Jr. 3:00—Panel Sessions: Eminent Sciencists,

Former ACS Scholars-Project SEED Students, Industry Leaders.

5:45—Closing Comments on Diversity. C. L. Powell

CEPA

COMMITTEE ON ECONOMIC & PROFESSIONAL AFFAIRS J. W. Long, Program Chair

MONDAY MORNING Convention Center Exhibit Hall A Lifetimes in Chemistry: Issues and Results from the Mature Career Chemist Survey Cosponsored with Division of Professional Relations and Women Chemists Committee J. W. Long, Organizer 9:00—Introductory Remarks. 9:05—1. Lessons from careers in academia

and industry. C. G. McCarty 9:35—2. Reflections on a life-long career in

chemistry. M. L. Good 10:10—3. Retirements, careers, and transi

tions: Selected findings from the ACS mature career chemists study. J. I. Farkas

10:35—4. Women chemists and their career choices. Η. Μ. Free

11:00—5. Consulting for profit and pleasure. G. W. Parshall

11:25—Panel Discussion.

MONDAY AFTERNOON Employment Agreements: Boon or Bane? cosponsored with Division of Professional Relations (see page 137)

SOCED

SOCIETY COMMITTEE ON EDUCATION I. Montes, Program Chair

OTHER SYMPOSIA OF INTEREST:

I Know You're a Technician, What Do You Do? (see Division of Chemical Technicians, Wed, page 75)

SOCIAL EVENTS: Social Hour, Sat Reception, Mon Breakfast, Tue

SUNDAY MORNING Hotel Washington Federal Chemical Information Cosponsored with Division of Chemical Education I. Montes, A. B. Twiss-Brooks, Organizers I. Montes, Presiding 10:45—Introductory Remarks. 10:50—1. What is chemical information? G.

D. Wiggins 11:25—2. Undergraduate use of chemical in

formation: Refining the process. A. S. Ricker

12:00—3. Developing marketable skills: The role of chemical information. J. M. Paslawsky

12:35—Concluding Remarks.

SUNDAY AFTERNOON Accelerating the Momentum: Successful Tools for the 21st Century cosponsored Presidential Event (see page 58)

SUNDAY EVENING Hotel Washington Ballroom Chemistry Survival Guide: Learning How To Learn Chemistry Cosponsored with Division of Chemical Education I. Montes, Organizer, Presiding 6:15—Introductory Remarks. 6:20—4. Chemistry survival guide: Learning

how to learn chemistry. D. M. Bunce 7:50—Concluding Remarks.

MONDAY MORNING Hotel Washington Ballroom Chemistry in Art Conservation J. Carlson, I. Montes, Organizers I. Montes, Presiding 9:00—Introductory Remarks. 9:10—5. Chemistry and art: The blending of

two diverse fields. J. H. Carlson 9:45—6. Chemical problem solving in the

care of works of art. R. C. Wolbers 10:20—7. Chemistry and art: The role of the

scientist in the museum analytical laboratory. B. A. Price


MONDAY AFTERNOON Hotel Washington Ballroom Eminent Scientist Lecture I. Montes, Organizer, Presiding 4:45—Introductory Remarks. 4:5fJ—8. Chemistry in two dimensions: Sur

face chemistry and technology. C. M. Friend

5:40—Concluding Remarks. Undergraduate Research Posters cosponsored with Division of Chemical Education (see page 69) • Green Chemistry: Applications in Academia and Industry cosponsored with Division of Industrial & Engineering Chemistry (see page 94)

MONDAY EVENING Sci-Mix Successful Student Affiliates Chapter Posters cosponsored with Division of Chemical Education (see page 71)

TUESDAY MORNING • Green Chemistry: Applications in Academia and Industry cosponsored with Division of Industrial & Engineering Chemistry (see page 94)

TUESDAY AFTERNOON • Green Chemistry: Applications in Academia and Industry cosponsored with Division of Industrial & Engineering Chemistry (see page 94)

WEDNESDAY MORNING • Green Chemistry: Applications in Academia and Industry cosponsored with Division of Industrial & Engineering Chemistry (see page 94)

WEDNESDAY AFTERNOON • Green Chemistry: Applications in Academia and Industry cosponsored with Division of Industrial & Engineering Chemistry (see page 94)

THURSDAY MORNING • Green Chemistry: Applications in Academia and Industry cosponsored with Division of Industrial & Engineering Chemistry (see page 94)

THURSDAY AFTERNOON • Green Chemistry: Applications in Academia and Industry cosponsored with Division of Industrial & Engineering Chemistry (see page 95)

wcc

WOMEN CHEMISTS COMMITTEE F. K. Wood-Black, Program Chair

SOCIAL EVENTS: Breakfast, Mon Luncheon, Tue

The Committee on Meetings & Expositions requests that there be no smoking in meeting rooms or committee meetings

SUNDAY MORNING Global Issues of Intellectual Property Affecting the Chemical, Biotechnology, and Pharmaceutical Industries cosponsored with Division of Chemistry & the Law (see page 75)

SUNDAY AFTERNOON Accelerating the Momentum: Successful Tools for the 21st Century cosponsored Presidential Event (see page 58) Historically Important Chemical Educators cosponsored with Division of Chemical Education (see page 68) Global Issues of Intellectual Property Affecting the Chemical, Biotechnology, and Pharmaceutical Industries cosponsored with Division of Chemistry & the Law (see page 75)

MONDAY MORNING Lifetimes in Chemistry: Issues and Results from the Mature Career Chemist Survey cosponsored with Committee on Economic & Professional Affairs (see page 58)

TUESDAY MORNING Convention Center Room 37 Gertrude Elion Symposium F. K. Wood-Black, Organizer 9:00—Introductory Remarks. 9:05—1. Chance encounter. F. K. Wood-

Black 9:25—2. Gertrude Elion: Her life and accom

plishments. N. M. Roscher 9:45—3. Gertrude Elion: Passing the torch.

C. T. Eagle 10:05—Concluding Remarks. Guidelines for Pregnant Lab Employees cosponsored with Division of Chemical Health & Safety (see page 73) True Stories of (Women in) Small Chemical Businesses cosponsored with Division of Small Chemical Businesses (see page 137)

TUESDAY AFTERNOON True Stories of (Women in) Small Chemical Businesses cosponsored with Division of Small Chemical Businesses (see page 137)

YCC

YOUNGER CHEMISTS COMMITTEE D. Bosley, Program Chair

SUNDAY AFTERNOON Marriott Metro Center Salon D Ethics in Science Cosponsored with Chemical Society of Washington D. Bosley, Organizer 1:00—Panel Discussion. Accelerating the Momentum: Successful Tools for the 21st Century cosponsored Presidential Event (see page 58)

MONDAY MORNING Careers in Chemical Information cosponsored with Division of Chemical Information (see page 73)

5 8 JULY 24, 2000 C&EN

MONDAY AFTERNOON

Section A Marriott Metro Center Salon D

Graduation: What's Next? D. Bosley, Organizer 12:45—Panel Discussion.

Section Β Marriott Metro Center Salon D

YCC Town Meeting with NSF: Celebrating

CATALYSIS & SURFACE SCIENCE SECRETARIAT Ν. Β. Jackson, Secretary General

SUNDAY MORNING Convention Center Room 1-2

A Catalysis and Plasma Technology Cosponsored with Division of Fuel Chemistry and Division of Petroleum Chemistry B. W. L. Jang, M. Boutonnet, J. J. Spivey, J. G. Reynolds, Organizers 8:45—Introductory Remarks. 8:50—1. Plasma-CVD-coated glass beads

as photocatalysts for water decontamination. M. Morstein, M. Karches, R. Pozzo, J. L Giombi, M. A. Baltanâs

9:15—2. Fused hollow cathode cold atmospheric plasma source for gas treatment. H. Barankova, L. Bardos

9:40—3. Plasmachemical synthesis and/or regeneration of ultradispersed catalysts. G. P. Vissokov

10:05—Intermission.

• Catalysis

• Chemistry & Computers

• Federal & Private Sector Standards & Related Issues

• Environmental

Η Materials * Pharmaceuticals & Life

Sciences

• Science & Intellectual Policies

10:15—4. Transformations on the alkali-halide crystals surface by the high-energy irradiation and cold air plasma influence. I. A. Korobetskii, E. S. Shudrikov, S. A. Na-zimov, T. V. Gubareva

10:40—5. Microwave plasma torch production of supported metal particles. J . Phillips, C-K. Chen, S. Gleiman, H. Shim

11:05—6. Reaction mechanism study of lean NOx reduction using plasma catalysis. I. S. Yoon, R. G. Tonkyn, A. G. Panov, A. C. Kolwaite, S. E. Barlow, M. L. Balmer

11:30—7. Plasma decomposition of NO in the presence of Ti02 photocatalysts. Y. Hayashi, K. Irie, G. Yamamuchi, S. L. Suib

SUNDAY AFTERNOON Convention Center Room 1-2

A Catalysis and Plasma Technology Cosponsored with Division of Fuel Chemistry and Division of Petroleum Chemistry B. W. L. Jang, M. Boutonnet, J. J. Spivey, J. G. Reynolds, Organizers 1:30—Introductory Remarks. 1:35—8. On the interaction between plasmas

and catalyst for the utilization of greenhouse gases. C-J. Liu, G-H. Xu

2:00—9. Selective hydrogénation of acetylene to ethylene during the conversion of methane in a catalytic dc plasma reactor. C. L. Gordon, R. G. Mallinson, L. L. Lobban

2:25—10. Plasma catalysis for natural gas conversion. T. S. Rufael, J. F. Stevens, D. A. Storm

2:50—Intermission. 3:05—11. Analysis of a high-frequency

pulsed plasma for methane conversion. S. Yao, E. Suzuki, A. Nakayama

3:30—12. New approach in the electron theory of catalysis: Electrodynamical and quantum mechanical model. A. V. Glushkov

3:55—13. Oxidation of toluene in a low-pressure plasma catalytic fluidized-bed reactor. S. Cavadias, M. Langleron, J. Amouroux

4:20—14. Roles of catalysts in nonthermal plasma chemical processing of hazardous air pollutants. S. Futamura, A. Zhang, H. Einaga

MONDAY MORNING Convention Center Room 1-2

Catalysis Development Through Active Site and Surface Science Theories Cosponsored with Division of Fuel Chemistry and Division of Petroleum Chemistry

B. Davis, A. W. Aldag, S. Eser, M. Jagtoyen, L. R. Radovic, Organizers

8:55—Introductory Remarks. 9:00—15. TOF: Validation of the concept in

heterogeneous catalysis. M. Boudart 10:00—16. Electrostatic model for QM calcu

lations of hydrocarbons in zeolites. R. Z. Khaliullin, V. N. Solkan, V. B. Kazanskii

10:30—17. Computational studies of olefin epoxidation. M. R. Salazar, J. D. Kress, A. Redondo

11:00—18. Noble-metal-catalyzed selective oxidation of alcohols in supercritical carbon dioxide. S. C. Tsang, A. M. Steele, J. Zhu

11:30—19. TiCySiC^ xerogel photocatalyst for decontamination of indoor air. R. Armstrong, M. Dreyer, L. L Lobban, G. Newman

MONDAY AFTERNOON

Convention Center Room 1-2


B. Davis, A. W. Aldag, Organizers

1:55—Introductory Remarks. 2:00—20. In situ determination of catalyst

oxidation and reduction kinetics in the selective oxidation of butane with VPO. M. A. Barteau, D. Wang

3:00—21. Highly selective supported Ni catalyst for hydrogénation of furfuryl alcohol to tetrahydrofurfuryl alcohol. C. Liu, R. Shen, P. Zhai

3:30—22. Role of vanadia species in VTTi oxide catalysts for toluene partial oxidation. D. A Bulushev, L. Kiwi-Minsker, A. Renken

4:00—23. Semitransparent titanium dioxide aerogels: Catalyst characterization and photocatalytic oxidation. M. Dreyer, L. L. Lobban, G. Newman

4:30—24. Structure and reactivity of supported manganese oxides for gas-phase ozone decomposition. R. Radhakrishnan, W. Li, S. T. Oyama, K. Asakura, J. G. Chen

TUESDAY MORNING Convention Center Room 1-2


B. Davis, A. W. Aldag, Organizers

9:00—25. Relationship of chemisorption- and isotopic tracing-based TOFs to true site activities for reactions on metal catalysts. S. Y. Kim, W. D. Rhodes, J. G. Goodwin Jr.

10:00—26. FCC catalysts for enhanced LCO and LPG production. H. Tian

10:30—27. Atomic insight into hydrodesulfur-ization. P. Han, S. A. Kandel, J. G. Kush-merick, P. S. Weiss

11:00—28. XPS study of carbided molybdena-alumina catalyst for the hy-drodesulfurization of thiophene. M. Nagai, T. Monoe, S. Omi

11:30—29. Active sites in sulfated zirconia catalysts. R. A. Keogh, B. H. Davis

AGFD

DIVISION OF AGRICULTURAL & FOOD CHEMISTRY M. Tunick, Program Chair


Chemoprevention (see Division of Medicinal Chemistry, Tue, page 105)

SOCIAL EVENTS: Social Hour, Tue Dinner, Tue

BUSINESS MEETING: Tue

SUNDAY MORNING

Section A Convention Center Room 13-14

* Analytical and Nutritional Aspects of Conjugated Linoleic Acids

M. P. Yurawecz, S. McCurry, J. K. G. Kramer, Organizers

9:00—1. Application of standard addition to eliminate CLA and other interferences in the determination of trans fatty acids in selected food products by infrared spectroscopy. M. M. Mossoba, J. K. G. Kramer, J. Fritsche, M. P. Yurawecz, K. Eulitz, Y. Ku, J. I. Rader

9:25—2. Detection and identification of isomers of conjugated linoleic acid and related compounds by electron ionization mass spectrometry. J. A. G. Roach

Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters

9:50—3. Identification of conjugated linoleic acid isomers in commercial products and foods. M. P. Yurawecz, J. A. G. Roach, M. M. Mossoba, J. K. G. Kramer, N. Sehat, K. Eulitz, J. Fritsche, Y. Ku

10:15—Intermission. 10:30—4. Perspectives on the synthesis of

conjugated linoleic acid isomers. R. O. Adlof

10:55—5. Metabolic oxidation and tissue incorporation of [1-14C] CLA isomers in rats. J. P. Sergiel, J. L Sebedio, J. M. Chardigny, P. Juaneda, O. Berdeaux, S. Ginaedig, S. Grégoire, Ο. Loreau, J. P. Noël

11:20—6. Comparison of CLA isomer incorporation into tissue lipids of pigs fed a mixture of either four or two major cis/trans CLA isomers. J . K. G. Kramer, J. Zhou, M. E. R. Dugan, J. L. Aalhus, N. Sehat, M. M. Mossoba, M. P. Yurawecz

Section Β


Flavor Chemistry of Heteroatomic Compounds Nitrogen-Containing Molecules

G. A. Reineccius, T. Reineccius, Organizers P. Schieberle, Presiding

9:30—Introductory Remarks. 9:50—7. Most important Maillard flavor com

pounds of bread and cooked rice. N. De Kimpe, J. Demyttenaere, K. Abbaspour Tehrani

10:35—8. Review of the analytical methodologies for nitrogen-containing heterocyclics in foods. R. N. Pandya

SUNDAY AFTERNOON

Section A


• Analytical and Nutritional Aspects of Conjugated Linoleic Acids M. P. Yurawecz, S. McCurry, J . K. G. Kramer, Organizers

1:30—9. Conjugated linoleic acid: The paradox of multifunctionality. M. W. Pariza

1:55—10. Regulation of inducible prostanoids and leukotrienes by conjugated linoleic acid. M. E. Cook, L D. Whigham, M. Yang, D. Devoney, M. W. Pariza

2:20—11. Conjugated linoleic acid and skeletal biology. B. A. Watkins, Y. Li, H. E. Lippman

2:45—Intermission. 3:00—12. Is CLA ready for evaluation as an

anticancer agent in a human intervention trial? C. Ip

3:25—13. Metabolism of conjugated linoleic acid in relation to its anticarcinogenic activity. S. Banni, E. Angioni, G. Carta, M. P. Melis, M. E. Murru, P. Scanu, F. P. Corongiu

3:50—14. Influence of conjugated linoleic acid on experimental atherosclerosis. D. Kritchevsky

Section Β


Flavor Chemistry of Heteroatomic Compounds Nitrogen-Containing Molecules

P. Schieberle, Presiding

1:30—15. Biosynthesis of aroma compounds containing nitrogen. G. P. Rizzi

2:15—16. Characterization of new potent aroma compounds formed in fructose/ cysteamine reaction f lavorings. P. Schieberle, W. Engel

2:40—17. Reaction of monosaccharides and ammonia under mild conditions: Comparison between an aldose and a ketose. C-H. Shu

3:05—Intermission. 3:20—18. Identification of new odorous het

erocyclic compounds in French blue cheeses. J. L. Le Quere, N. Fournier, D. Langlois, R. Henry

3:45—19. Biogeneration of roasty notes based on 2-acetyl-2-thiazoline and its precursor 2-(1 -hydroxyethyl)-4,5-dihydrothia-zole. R. Bel Rhlid, Y. Fleury, I. Blank

Fifty Years of Funding for Younger Chemists

D. Bosley, Organizer 3:00—Panel Discussion.

TUESDAY MORNING Guidelines for Pregnant Lab Employees cosponsored with Division of Chemical Health & Safety (see page 73)

Role of the National Science Foundation in Educating Professional Chemists cosponsored with Division of Professional Relations (see page 137)

TUESDAY AFTERNOON Role of the National Science Foundation in Educating Professional Chemists cosponsored with Division of Professional Relations (see page 137)

CATL

JULY 24, 2000 C&EN 5 9

AGFD/AGRO/TECHNICAL PROGRAM

4:10—20. Flavor contribution and formation of oxygen-containing key aroma compounds in thermally processed foods. T. Hofmann, P. Schieberle

MONDAY MORNING


* Analytical and Nutritional Aspects of Conjugated Linoleic Acids M. P. Yurawecz, S. McCurry, J. K. G. Kramer, Organizers 9:00—21. Structure, bioavailability, and im

pact of Cl_A isomers on energy metabolism: Preliminary results. J-C. Martin, P. Even, B. Tiffon, C. Policar, M. Parquet, D. Ben Smara, C. Lutton

9:25—22. Feeding CLA to pigs: Effects on growth, carcass composition, and quality. M. E. R. Dugan, J. L Aalhus, K. A. Lien, J. K. G. Kramer

9:50—23. Effects of conjugated linoleic acid on body fat mass in overweight or obese human volunteers: A double-blind, randomized placebo controlled study. H. Blankson, J. A. Stakkestad, H. Fagertun, E. Thorn, J. Wadstein, O. Gudmundsen

10:15—Intermission. 10:30—24. Influence of conjugated linoleic

acid in peroxisome proliferator-activated receptor α-null mice. J. M. Peters, Y. Park, F. J. Gonzalez, M. W. Pariza

10:55—25. Evidence for a PPARy-dependent mechanism of action for conjugated linoleic acid in several cell types. J. P. Vanden Heuvel, S. Khan, Y. Yu

11:20—26. Role of conjugated linoleic acid in the management of Type 2 diabetes: Evidence from Zucker diabetic (fa/fa) rats and human subjects. M. A. Belury, A. Mahon, L Shi

Section Β Convention Center Room 13-14

Flavor Chemistry of Heteroatomic Compounds Oxygen-Containing Molecules

J. T. Budin, Presiding 9:00—27. Biological pathways for the forma

tion of oxygen-containing aroma compounds. D. Peterson, G. A. Reineccius

9:40—28. Analysis of oxygen-containing aroma compounds. J. T. Budin

10:25—Intermission. 10:40—29. Role of heteroatomic aroma com

pounds in the flavor of milk chocolate. P. Pfnuer, P. Schieberle

11:05—30. Importance of free fatty acids to the flavor of Parmesan cheese. M. Qian, G. A. Reineccius

11:30—31. Synthesis of lipid-derived key odorants as reference compounds in flavor research. C. Milo, J. Lin, I. Blank

Section C Convention Center Room 7

General Papers M. Tunick, Organizer 8:25—32. FTIR spectroscopy: A rapid detec

tion tool for the determination of adulteration in honey. S. Sakhamuri, J. Irudayaraj

8:45—33. Analytical approaches for understanding wine flavor: SPME, SFE, and NMR. S. E. Ebeler

9:05—34. Antioxidant constituents of almond hulls. G. Takeoka, L. T. Dao

9:25—35. Determination of specificity of thio-redoxin in reducing disulfide bonds of target proteins. H. Yano, J. H. Wong, M-J. Cho, Β. Β. Buchanan

9:45—36. Combined effect of fumonisins group Β on immune cell death and survival. E. A. Martinova, Ο. Β. Ivanchenko

10:05—Intermission. 10:20—37. Extraction of antibiotics from ag

ricultural wastewater. M. E. Lindsey, E. M. Thurman

10:40—38. Pathogen reduction in fruit juices with a continuous-flow high-pressure carbon dioxide system. W. S. Hill, M. R. Marshall, D. Kincal, M. O. Balaban, H. Shallo

11:00—39. Preservation of stored cucumbers with acetic acid and sodium benzo-ate. R. F. McFeeters

11:20—40. Quantification of human metabolism and mass balance of vitamins at physiologic exposures. J. S. Vogel, T. Og-nibene, Y. Lin, S. R. Dueker, A. J. Clifford, B. Buchholz

11:40—41. Recent progress in cotton biotechnology in China. B-H. Zhang, F. Liu, C-B. Yao, K-B. Wang

MONDAY AFTERNOON


• Mycotoxins in Food Sources and Mycology/Relevance of Mycotoxins in the Food Supply

L. S. Jackson, M. W. Trucksess, J. W. DeVries, Organizers J. D. Miller, R. M. Eppley, Presiding 1:30—Introductory Remarks. 1:40—42. Biology and ecology of mycotoxi-

genic Aspergillus species as related to economic and health concerns. D. M. Wilson, W. Mubatanhema, Z. Jurjevic

2:00—43. Biology and ecology of mycotoxi-genic Fusarium species. J. D. Miller

2:20—44. Biology and ecology of mycotoxi-genic Pénicillium species. J. Pitt

2:40—Intermission. 3:00—45. Chemistry and toxicology of molds

isolated from water-damaged buildings. B. B. Jarvis

3:20—46. Reduction of Fusarium head blight disease severity and deoxynivalenol levels in grain via application of choline-metabolizing antagonists at wheat flowering. D. A. Schisler, N. I. Khan, M. J. Boehm

3:40—47. Impact of mycotoxins on food safety in China. X. Liu


Flavor Chemistry of Heteroatomic Compounds Sulfur-Containing Molecules

I. Blank, Presiding 1:30—48. Overview of the contribution of

sulfur-containing compounds to aroma in heated foods. D. S. Mottram, H. R. Mot-tram

2:15—49. Contribution of volatile organic sulfur compounds to food flavor. I. Blank

3:00—Intermission. 3:15—50. Syntheses and reactions of orga-

nosulfur compounds. G. Barany 4:05—51. Correlation between structure and

sensory properties of 4- and 5-mer-captoalcohols. K-H. Engel, A. Schellen-berg, H-G. Schmarr

MONDAY EVENING Convention Center Exhibit Hall D

Sci-Mix M. Tunick, Organizer 8:00-10:00 52. Addition of antioxidants to packaging

films to extend the shelf life of fresh beef. M. A. Finkle

53. Diffusion of nisin in protein packaging films. A. Teerakarn, P. L Dawson, J. C. Acton, D. E. Hirt, J. R. Rieck

54. AC adsorptive stripping chronopotentio-metric determination of dissolved aluminum in drinking waters and beverages using SVRS under alkaline conditions. S. Bi, N. Gan, G. Zou

55. Fast determination of aluminum in drinking waters by AC oscillopolarography in the presence of calmagite. S. Bi, Y. Tan

56. Analysis and properties of arabinoxylans from com wet-milling fractions (coarse and fine fiber, spent flake). L. W. Doner, D. B. Johnston, V. Singh

57. Extrusion of butter oil, corn meal, and salt. E. D. Strange, R. P. Konstance, C. I. Onwulata

58. Antimicrobial activities of rice hull lignins and their nitrobenzene-oxidized monomers. J-B. Eun, M-J. Lee, J-C. Lee

59. Physical and chemical properties of bamboo smoke distillates. J-B. Eun, F. Z. Lee, Y.Lee

60. Characterization of cantaloupe melon peroxidase. O. Lamikanra, M. Watson

61. Changes in flavonoids, vitamin C, and total sugars during development of grapefruits, oranges, and tangerines. M. Botero Omary, E. Brovelli, G. Newman, J. Rana, H. Sumague

62. Effects of dietary fiber on the bioavailability of trace elements in the body. S. Qamar, Ζ. Τ. Maqsood

63. Polyphenols, flavonoids, and hypericin levels in 17 species of St. John's wort (Hypericum) native to the southern U.S. M. E. Snook, S. L. Crockett, R. A. Price, D. E. Giannasi

64. Correlation of histamine in mahimahi (Coryphaena hippurus) with microbial and TVB-N levels. F. R. Antoine, C. I. Wei, W. S. Otwell, C. A. Sims, A. D. Hogle, R. C. Littell, M. R. Marshall

65. Development of biogenic amines during storage of mahimahi (Coryphaena hippurus) and their correlation with precursor free amino acids. F. R. Antoine, C. I. Wei, W. S. Otwell, C. A. Sims, A. D. Hogle, R. C. Littell, M. R. Marshall

66. Development of an extended-release coyote lure. J. C. Hurley, J. J. Johnston

67. Antioxidant properties of aroma extracts isolated from medicinal plants. K-G. Lee, T. Shibamoto

68. Effect of proteolytic enzymes on mushroom texture. S. Zivanovic, L. R. Howard, R. W. Buescher

69. Treatment of pickle brines with smectite clay to remove peroxidase and polygalacturonase activity. R. W. Buescher, C. Hamilton, L. R. Howard, S. Zivanovic

70. Chemical composition and biological activity of kenaf (Hibiscus cannabinus) essential oil. M. Kobaisy, M. Tellez, C. Webber, F. E. Dayan, K. K. Schrader, D. E. Wedge

71. Volatile components of the cyanobacteri-um Oscillatoria perornata. M. R. Tellez, K. K. Schrader, M. Kobaisy

72. Use of high-pressure carbon dioxide for fruit juice preservation. W. S. Hill, M. R. Marshall, M. O. Balaban, D. Kincal, H. Shallo

73. Formation of /V-nitroso-/V-methylurea in various foods after nitrosation under acidic conditions. N. P. Sen, S. W. Seaman, P. A. Baddoo, C. Burgess, D. Weber

74. Resveratrol in vaccinium species and muscadine grapes. A. M. Rimando, W. Kalt, J. Magee

75. Managing insect resistance to transgenic Bt cotton. B-H. Zhang, Q-L. Wang

76. Capillary electrophoresis analysis of orange juice pectinesterases. R. J. Brad-dock, C. R. Bryan, J. K. Burns

77. Improvement of biocide activity from bisammonium compounds. L. Massi, F. Guittard, S. Géribaldi

TUESDAY MORNING


Φ Mycotoxins in Food General Analytical Aspects of Mycotoxins

M. W. Trucksess, S. Page, Presiding 9:00—78. Sampling, sample preparation,

and analytical variability associated with testing wheat for deoxynivalenol. T. B. Whitaker, W. M. Hagler Jr., F. G. Gies-brecht, A. S. Johansson

9:20—79. Novel assays and sensor platforms for the detection of aflatoxins. C. M. Maragos

9:40—80. Analytical methods for fumonisins in foods. S. M. Musser, R. M. Eppley, M. W. Trucksess

10:00—81. Recent advances in analytical methodology for cyclopiazonic acid. J. W. Dorner



10:40—82. Methods of analysis for ochratox-in A. P. M. Scott

11:00—83. HPLC detection of patulin in apple juice with GC/MS confirmation of patulin identity. A. Brause, J. A. G. Roach

11:20—84. Methods for the determination of vomitoxin and other trichothecenes in foods. G. A. Lombaert



Flavor Chemistry of Heteroatomic Compounds Sulfur-Containing Molecules

I. Blank, Presiding 9:00—85. Sulfur flavor compounds generat

ed by microbial pathways. H. E. Spinnler 9:40—86. Comparison of analytical proce

dures to measure volatile sulfur compounds in foods. R. L. Rouseff

10:20—Intermission. 10:35—87. Gas chromatography: Olfactome

try and chemiluminescence characterization of sulfur compounds in grapefruit juice. J. Lin, P. Jella, R. L Rouseff

11:00—88. Sulfur-containing aroma compounds in foods formed via biogenesis. K-H. Engel

11:25—89. Novel sulfur compounds from lipid-Malliard interactions in cooked meat. D. S. Mottram, J. S. Elmore

12:00—Business Meeting.

TUESDAY AFTERNOON


• Mycotoxins in Food Processing Effects on Mycotoxins

L B. Bullerman, J. Robens, Presiding 1:30—Introductory Remarks. 1:40—90. Development and characterization

of clay-based enterosorbents for the prevention of aflatoxicosis. T. D. Phillips

2:00—91. Effect of processing on aflatoxin. D. Park

2:20—92. Effect of processing on deoxynivalenol and other trichothecenes. D. M. Trigo-Stockli

2:40—93. Effect of processing on the ochra-toxin A content of coffee. R. Viani

3:00—Intermission. 3:20—94. Stability of fumonisins in food pro

cessing. L. B. Bullerman, L. S. Jackson 3:40—95. Effects of processing on zear-

alenone. D. Ryu, L. S. Jackson, L. B. Bullerman

4:00—96. Mycotoxins and fermentation: Beer production. C. Wolf-Hall, P. Schwarz


Flavor Chemistry of Heteroatomic Compounds Miscellaneous Atoms

C-T. Ho, Presiding 1:00—97. Volatile halogenated compounds

in foods. C-T. Ho 1:45—98. Contribution of halogenated aroma

compounds to food flavor. K. D. Deibler, Τ. Ε. Acree

2:25—99. Classical and modem methods for the determination of halogenated aroma compounds in foods. Y-S. Kim, G. A. Reineccius

3:05—Intermission. 3:20—100. Use of omission tests to evaluate

taste-active compounds in food: Application to cheese and tomato. C. Salles, E. Engel, S. Nicklaus, S. Chantai, J-L. Le Quéré

3:45—101. Quantification of in-mouth release of heteroatomic odorants. A. Buett-ner, P. Schieberle

4:10—102. Real-time analysis of odorants in human breath: The use of humidified air to increase sensitivity. G. Zehentbauer, G. A. Reineccius, T. P. Krick

4:35—103. Development of selective chemo-sensors for on-line process monitoring of coffee roasting. T. Hofmann, P. Schieberle

6 0 JULY 24, 2000 C&EN

WEDNESDAY MORNING


• Mycotoxins in Food Toxicity and Risk Assessment: Regulatory Aspects and Economic Impact

T. C. Troxell, W. Allaben, Presiding

9:00—104. Fumonisin toxicity and risk assessment. P. M. Bolger, C. Carrington, S. H. Humphreys

9:20—105. Aflatoxin, hepatitis, and worldwide liver cancer risks. S. H. Henry, F. X. Bosch, J. C. Bowers, C. J. Portier

9:40—106. Trichothecene toxicity and safety/ risk assessment. M. Pieters

10:00—107. Risk assessment of ochratoxin A: Current views of the European Scientific Committee on Food, JECFA, and Codex. R. Walker

10:20—Intermission. 10:40—108. Wordwide regulations for myco

toxins. H. P. van Egmond 11:00—109. Economic changes imposed by

mycotoxins on food grains: Case study of deoxynivalenol in winter wheat. A. W. Schaafsma

11:20—110. U.S. perspective on mycotoxin regulatory issues. T. C. Troxell



• Quality Management of Nutraceuticals Overview and Perspectives

C-T. Ho, Q. Y. Zheng, Organizers 9:00—Introductory Remarks. 9:05—111. Quality management of nutraceu

ticals: Intelligent product-delivery systems and safety through traceability. P. A. La-chance

9:35—112. Market and opportunities of herbal products in Europe. S. Spiess

10:05—113. Standardization of phytophar-maceuticals: Progress in quality or promotion trick. F. Lang

10:35—Intermission. 10:50—114. Six Sigma quality management

of nutraceuticals: An operating principle at Pharmanex. A. Chiu, J. Chang, M. Chang, R. Cooper, W. Duersch, C. Smidt

11:15—115. Use and abuse of analytical details in marketing nutraceutical products. R. S. McCaleb

11:40—116. Role of marker compounds of herbs and their bioavailability in quality, efficacy, and safety of products. H. Amagase

A Catalysis

• Chemistry & Computers • Federal & Private Sector

Standards & Related Issues

• Environmental

Ν Materials * Pharmaceuticals & Life

Sciences


WEDNESDAY AFTERNOON


• Chemistry of Antimicrobials Overview

D. J. Armstrong, B. R. Cords, Organizers 1:30—Introductory Remarks. 1:40—117. Antimicrobial chemicals in foods:

Historical perspective. M. Davidson 2:10—118. Emerging issues in food safety:

New challenges and opportunities. S. K. Puryear

2:40—119. Antimicrobial chemicals and other antimicrobial food treatments: FDA pre-market considerations. P. A. Hansen

3:10—120. Registration of antimicrobial chemicals with EPA. F. Sanders

3:40—121. Consumer attitudes toward antimicrobial food additives and constituents. C. Bruhn


* Quality Management of Nutraceuticals Chemistry

C-T. Ho, Q. Y. Zheng, Organizers 1:30—Introductory Remarks. 1:35—122. Modern analytical approaches in

quality control of black cohosh. R. C. Spreemann

2:05—123. Bioactivity-guided standardization of a maca extract. Q. Y. Zheng

2:35—124. Analysis and standardization of cranberry products. D. G. Cunningham, S. A. Vannozzi

3:00—Intermission. 3:20—125. Direct analysis and identification

of triterpene glycosides by LC/MS in black cohosh, Cimicifuga racemosa, and in several commercially available black cohosh products. K. He, B. Zheng, C. H. Kim, L. Rogers, Q. Y. Zheng

3:45—126. Systematic investigation of fatty acid profiles in saw palmetto products. T-S. Peng, W. F. Popin, T. R. Johnson

4:10—127. Study of analytical methods for the active components in tea products. H-Z. Zhang, L-Z. Lin, X-G. He, M. P. Petteruti

THURSDAY MORNING


* Chemistry of Antimicrobials Food Surface Antimicrobials

D. J. Armstrong, B. R. Cords, Organizers 9:00—Introductory Remarks. 9:10—128. Food industry research needs:

Fruits and vegetables. E. Garrett 9:30—129. Antimicrobial treatment challeng

es for red meat and poultry. J. Leising 9:50—130. Ozone application in the food in

dustry. L. Xu 10:10—131. Hydrogen peroxide and per-

acids. B. R. Cords 10:30—132. TSP: Applications in food. D.

Charest 10:50—133. Acidic electrolyzed water and its

antimicrobial effect. Y-C. Hung, C. Kim, G. O. I. Ezeike, C-S. Lin

11:10—134. pH Control agents. S. Doores


• Quality Management of Nutraceuticals Chemistry

C-T. Ho, Q. Y. Zheng, Organizers 9:00—Introductory Remarks. 9:05—135. Analysis of anthocyanins in nu

traceuticals. R. E. Wrolstad, R. W. Durst 9:35—136. Extraction of antioxidants from

grape seeds employing pressurized fluids. L. T. Taylor, M. Palma, M. Ashraf-Khorassani

10:00—137. Analysis of flavonoids in botanicals and foods. H. M. Merken, G. R. Beecher

10:30—Intermission. 10:50—138. Analyses of polyphenol constit

uents in cocoa and chocolate. M. Nat-sume, N. Osakabe, T. Takizawa, T. Naka-mura, H. Miyatake, T. Hatano, T. Yoshida

11:15—139. Analytical method validation on botanical ingredients in a complex formula containing multivitamins, minerals, and herbs. W-D. Wang, B. Khandelwal, C. To, T. Tyler

11:40—140. Analysis of chemical components in noni fruits (Morinda citrifolia). S. Sang, M. Wang, C-T. Ho

• Federal Chemical and Toxicological Information Resources cosponsored with Division of Chemical Information (see page 74)

THURSDAY AFTERNOON


* Chemistry of Antimicrobials Antimicrobial Food Ingredients: New Developments

B. R. Cords, D. J. Armstrong, Organizers 1:30—Introductory Remarks. 1:40—141. Structure-function relationships

of natural antimicrobial compounds. M. Friedman, R. E. Mandrell

2:00—142. Molecular design of antifungal agents. I. Kubo

2:20—143. Monoglycerides as food preservatives. J. J. Kabara

2:40—144. Nisin and other antimicrobial peptides. J. N. Hansen

3:00—145. Processing and antimicrobial combinations. P. J. Slade

3:20—146. Approaches to developing appropriate microbial surrogates for field and in-plant testing of antimicrobials and other pathogen control measures. S. E. Keller, R. Merker

3:40—147. Antimicrobials and the future. D. J. Armstrong


* Quality Management of Nutraceuticals Chemistry

C-T. Ho, Q. Y. Zheng, Organizers 1:30—Introductory Remarks. 1:35—148. Antioxidants in the ginger family.

N. Nakatani, H. Kikuzaki 2:05—149. Quality assurance of nutraceuti

cals in marketed products and raw materials: Case study with chondroitin and glucosamine content in products and permeability across Caco-2 cells. N. D. Eddington

2:30—150. Safety and nutritional quality assessment of soybean isoflavones in the rat model. G. Sarwar, M. L'Abbe, S. Brooks, E. Lok, G. Cooke, O. Pulido, P. Thibert

2:55—Intermission. 3:15—151. Stability test of herbal raw mate

rials. J-G. Dong, M. L. Anderson 3:40—152. HPLC quantitation of trace vita

mins (meg quantity) in complex multivitamin, mineral, and herbal formulas. W-D. Wang, C. To, F. Li, A. Nguyen

4:05—153. Analysis of novel antioxidative ferulates from gum guggul (Commiphora wightii). N. Zhu, C-T. Ho, V. Badmaev



AGRO

DIVISION OF AGROCHEMICALS J. Jenkins, Program Chair

SOCIAL EVENT: Social Hour, Tue BUSINESS MEETING: Sun

SUNDAY MORNING

Section A Renaissance Washington Grand Ballroom Central

Capturing and Reporting Data in the Electronic Age

R. Bennett, W. Garner, M. Jensen, Organizers M. Jensen, Presiding 8:30—Introductory Remarks. 8:45—1. Managing electronic standard oper

ating procedures, protocols, and protocol amendments to GLP requirements. J. E. Goeke

9:15—2. The future of electronic GLP study management is now. L. Thompson Jr., T. R. Willard, C. M. Wells

9:45—3. Development and validation of GLP computer systems. R. D. Walla

10:15—Intermission. 10:30—4. Development of Advantage eFTN:

A GLP field data capture system. R. P. Thompson, T. J. Paczek, D. Dabbs

11:00—5. Pen and paper to point and click in the field. M. Quails

11:30—6. Field combination of old-fashioned values and electronic reporting systems in a GLP trial reporting marriage for the new millennium. M. W. H. Palmer

Section Β Renaissance Washington Congressional Hall A

• Improving Residue Methods J. Johnston, T. A. Wehner, Organizers J. Johnston, Presiding 9:00—Introductory Remarks. 9:05—7. Determination of emamectin benzo-

ate (an avermectin derivative) in bovine tissue, milk, and plasma. T. A. Wehner, L. A. Morneweck, M. B. Hicks, V. R. Mayo, L. D. Payne

9:25—8. HPLC fluorescence method to determine residues of emamectin benzoate and its metabolites on vegetables. T. A. Wehner, L. A. Morneweck, Μ. Β. Hicks, L. D. Payne

9:45—9. New mixed-mode anion-exchange sorbent for SPE determination of acidic pesticides in water, soil, and food. M. S. Young, M. F. Early

10:05—10. Analysis of the more polar pesticides by capillary electrophoresis. A. J. Krynitsky, T. Cavalier, H. Nejad, H. A. Hickes

10:25—11. Determination of anthraquinone residues in lettuce (Lactuca sativa). R. E. Mauldin, T. M. Primus, B. A. Kimball, J. L. Cummings, J. J. Johnston, D. L York

10:45—Intermission. 11:00—12. Keeping it simple: Determination

of 4,4/-dinitrocarbanilide, the active component of the infertility agent nicarbazin in chicken, duck, and snake eggs. T. M. Primus, D. J. Kohler, M. A. Goodall, C. Yod-er, D. L. Griffin, L Miller, J. J. Johnston

JULY 24, 2000 C&EN 61

AGRCVTECHNICAL PROGRAM

11:20—13. Residues of corn/soybean herbicides in water: Enhancing both selectivity of determination and confirmation of identity using liquid chromatography with ion-trap mass spectrometry/mass spectrometry. T. R. Steinheimer, K. D. Scoggin

11:40—14. Solid-phase extraction gas chromatography/electron capture detector method for the determination of organo-chlorine pesticides in wildlife whole blood. S. A. Volz, J. J. Johnston, D. L. Griffin

12:00—15. Sponsor monitored independent laboratory evaluation of an eprinomectin determinative method. L. D. Payne, V. Kvaternick, T. A. Wehner

SUNDAY AFTERNOON


Capturing and Reporting Data in the Electronic Age Field and Laboratory Considerations

L. F. Froelich, Presiding 1:55—Introductory Remarks. 2:00—16. Electronic data collection from the

study director's viewpoint. S. S. Brady 2:30—17. Electronic field data perspective.

K. Ludwig 3:00—18. Electronic field data collection de

vices and issues. M. Jensen 3:30—Intermission. 3:45—19. Techniques for auditing electronic

field data. R. J. Daniel 4:15—20. User testing strategy for Millenni-

um32 chromatography software validation. T. J. Stachoviak

4:45—Discussion.

Section Β Renaissance Washington Congressional Hall Β

• Improving Residue Methods T. A. Wehner, Presiding 1:40—Introductory Remarks. 1:45—21. GC-MSD method for determina

tion of tepraloxydim and its major metabolite residues in soil using conversion to the common analyte approach. M. Saha, B. Harrison, L. Collins

2:05—22. Use of a nonvolatile antioxidant in conjunction with LC/MS/MS determination of BAS 625 H and metabolites in soil. M. G. Panek, L. A. McKerlie, G. Waitt, K. L. Bowman, S. L. McGowan

Section C Renaissance Washington Congressional Hall Β

General Papers J. Jenkins, Organizer, Presiding 2:30—Introductory Remarks. 2:35—23. Influence of aging atrazine-treated

soil on bioavailability of atrazine and survival of Agrobacterium radiobacter strain J 14a. S. Zhao, E. L. Arthur, T. B. Moorman, J. R. Coats

2:55—24. Chemical property estimation methods as a source of input data to pesticide emissions models. J. E. Woodrow, C. Dary

3:15—25. Cyanohydrins as nematode hatch inhibitors and weed germination inhibitors. C. J. Peterson, S. Zhao, G. L. Tylka, J. R. Coats

3:35—Intermission. 3:45—26. Methodology for conducting a

probabilistic leaching exposure assessment. T. L. Estes, D. K. Murrow, W. Zogorski

4:05—27. Product chemistry data requirements for registration of pesticide chemicals. S. H. Malak, D. McCall

4:25—28. Remarkable sensitivity of human GABAA receptor consisting of only β3 subunits. G. S. Ratra, S. G. Kamita, J. E. Casida

6 2 JULY 24, 2000 C&EN

MONDAY MORNING


Capturing and Reporting Data in the Electronic Age Laboratory and Validation Considerations

F. E. Liem, Presiding 8:40—Introductory Remarks. 8:45—29. Automated data collection in the

laboratory using the Chromeleon system. W. H. Harned

9:15—30. Use of turbochrom client/server in residue chemistry lab. A. W. Chen, D. J. Letinski

9:45—31. The right data system for your lab. P. Martell

10:15—Intermission. 10:30—32. Auditing electronically captured

analytical chemistry data. Μ. Ε. Lynn 11:00—33. Metrology: A tool and approach

to ensure data quality. G. E. Schneiders, J. C. Brown, J. Manalo

11:30—34. Computer validation in a regulatory environment. S. M. McKilligin, A. Speaker

Section Β Renaissance Washington Grand Ballroom North

International Award for Agrochemical Research: Controlled-Release Delivery of Pesticides Overview

W. J. Connick Jr., Organizer, Presiding 8:30—Introductory Remarks. 8:45—35. Controlled-release delivery of pes

ticides: An overview. Η. Β. Scher 9:40—36. Overview of microencapsulation

processes. R. E. Sparks 10:10—Intermission. 10:30—37. Microencapsulation of solid parti

cles. G. B. Beestman 11:00—38. Triggered-release microcap

sules. I. M. Shirley, H. B. Scher, J. E. Vankoppenhagen

11:30—39. New trifluralin formulations. W. R. Jackson

• Fertilizers Under Siege: Their Detection, Analysis, and Impact on the Environment cosponsored with Division of Fertilizer & Soil Chemistry (see page 88)

MONDAY AFTERNOON


Capturing and Reporting Data in the Electronic Age Validation and Submission Considerations

W. Garner, Presiding 1:55—Introductory Remarks. 2:00—40. Validation of a computer vendor.

J. Carignan 2:30—41. Introduction to computer valida

tion. B. Huval 3:30—Intermission. 3:45—42. Electronic data archiving: Ensuring

accessibility, durability, and usability. E. J. McDevitt

4:15—43. Linking sponsors, contractors, and regulators using Web portal technology. R. D. Walla

4:45—Discussion.


International Award for Agrochemical Research: Controlled-Release Delivery of Pesticides Theory and Practice

G. B. Beestman, Presiding 1:15—Introductory Remarks. 1:20—44. Design of new controlled-release

systems for active ingredients. V. D. McGinniss, S. Risser

1:50—45. Factors influencing diffusion of pesticides through polymers. P. S. Magee, Η. Β. Scher

2:20—46. Development and applications of sustained-release pesticide-delivery systems. P. Van Voris, D. A. Cataldo, E. S. Lipinsky

2:50—47. pH-Responsive polymeric micelles with controllable capture/release mechanisms: Potential agricultural and environmental applications. C. L. McCormick, R. S. Armentrout

3:20—Intermission. 3:35—48. Multiple emulsions for controlled

release. T. F. Tadros 4:05—49. Microencapsulation by interfacial

polymerization: Influence of composition and processing parameters. H-W. Haess-lin, M. Hopkinson

4:35—50. Wettable granules with controlled-release properties. W. Zsifkovits

Section C Renaissance Washington Room 12-14

• Pesticide Residue Exposure Studies J. M. Van Emon, Organizer, Presiding 1:30—Introductory Remarks. 1:35—51. Development and use of generic

agricultural postapplication exposure data. S. J. Korpalski

1:55—52. Use of simultaneous dermal dosimetry and biological monitoring techniques to determine exposure to farm workers: Case studies with atrazine and chlorpyrifos. R. C. Honeycutt, W. L. Chen, F. Selman, L. A. Rosenheck

2:15—53. Agricultural health study/pesticide exposure study design. K. W. Thomas, L. S. Sheldon, W. C. Steen, D. P. Sandler, A. Blair, M. Dosemeci, M. C. R. Alavanja

2:35—54. Assessment of potential exposure during pesticide applications to turf: Methodology and results from four studies conducted by the Outdoor Residential Exposure Task Force. L. A. Rosenheck

2:55—55. Feasibility study examining translocation pathways and potential human exposures following a granular diazinon application to residential turf. D. M. Stout II, M. K. Morgan, Ν. Κ. Wilson

3:15—Intermission. 3:30—56. Postapplication exposure potential

to pesticides in the residential environment. R. L. Falconer, R. G. Lewis, C. R. Fortune, F. T. Blanchard, A. Yau

3:50—57. Studies of preschool children's exposures to persistent pesticides. Ν. Κ. Wilson, J. C. Chuang, C. Lyu

4:10—58. Measuring biomarkers of dermal exposure to atrazine in human urine using HPLC-accelerator MS. B. A. Buchholz, K. W. Haack, J. S. Vogel, S. D. Gilman, S. Gee, B. D. Hammock, R. C. Wester, X. Hui, H. I. Maibach

4:30—59. Use of PBPK/PD models in support of FQPA for assessing cumulative risk from aggregate exposure of infants and children to organophosphorus insecticides used in residential environments. C. C. Dary, J. B. Knaak, M. L. Rigas, F. W. Power, J. N. Blancato



Sci-Mix J. Jenkins, Presiding 8:00-10:00 94-96, 104, 105, 107, 109-111, 113-115,

119-123, 170, 174. See subsequent listings.


TUESDAY MORNING


Capturing and Reporting Data in the Electronic Age Regulatory and Submission Considerations

M. E. Lynn, Presiding 8:30—Introductory Remarks. 8:35—60. Electronic submissions of pesti

cide registration data: Lessons learned and future directions. R. S. McAllister

9:05—61. Electronic data submission: Pilot efforts in the EPA Office of Pesticide Programs. K. S. Bouvé

9:35—62. Electronic data submission in the EPA Office of Pesticide Programs: Supplemental files. M. Copley

10:05—Intermission. 10:20—63. Electronic submissions for EPA.

J. Ollinger, P. Reibach, S. Swidersky 10:50—64. Perspective on electronic sub

missions in Canada: Electronic assembly and evaluation. C. Krogh, D. Soper


Terrestrial Field Dissipation Studies: Purpose, Design, and Interpretation A. C. Barefoot, V. E. Clay, E. L. Arthur, Organizers A. C. Barefoot, Presiding 8:45—Introductory Remarks. 9:00—65. Terrestrial field dissipation studies:

A review of guidance and guidelines. A. C. Barefoot, V. Clay

9:30—66. Use of pesticide field dissipation data in making regulatory decisions in Canada. R. Gangaraju, I. Nicholson, C. Kriz

10:00—67. Environmental assessment of pest control products. H. Mulye

10:30—Intermission. 10:45—68. Field dissipation studies: The rel

ative importance of primary dissipation mechanisms. P. Hendley

11:15—69. Mechanics and field operation procedures for a successful terrestrial field dissipation study. R. C. Honeycutt

11:45—70. Design of a terrestrial field leaching and dissipation study within the European registration process. B. Peters, M. Feyerabend, B. Erzgràber, B. Schmidt

Section C Renaissance Washington Grand Ballroom North

International Award for Agrochemical Research: Controlled-Release Delivery of Pesticides Environmental and Safety Issues

P. Mulqueen, Presiding

8:30—Introductory Remarks. 8:35—71. Controlled-release formulations of

pesticides and environmental safety. K. Tsuji

9:05—72. Effects of altering microcapsule diameters. S. Lubetkin

9:35—73. Formulation of microbial herbicides. W. J. Connick Jr., D. J. Daigle

10:05—Intermission. 10:25—74. MicroPCM coatings for micro

climate regulation in biocontrol. D. P. Colvin, Y. G. Bryant, D. K. Cartwright

10:55—75. Alginate controlled-release systems. A. B. Pepperman Jr., J-C. W. Kuan, R. M. Johnson

11:25—76. Lignin granule delivery systems. R. M. Wilkins


TUESDAY AFTERNOON


Capturing and Reporting Data in the Electronic Age Regulatory and Submission Considerations

J. Carignan, Presiding 1:30—Introductory Remarks. 1:35—77. New order of things in pesticide

submissions. W. N. Casey 2:05—78. Current state of electronic data

submissions in Europe. S. C. Dobson 2:35—79. Electronic state submissions. C.

H. Koopmann 3:05—Intermission. 3:20—80. Electronic pesticide labeling: Cre

ation, submission, review, and dissemination. T. C. Harris

3:50—81. FDA's electronic records and signatures regulation (21 CFR Part 11). J. F. McCormack

4:50—Panel Discussion. M. Lynn, J. Carignan


Terrestrial Field Dissipation Studies: Purpose, Design, and Interpretation K. Winton, Presiding 1:30—Introductory Remarks. 1:40—82. Sources and magnitudes of vari

ability in terrestrial field dissipation of pesticides. J. H. Massey, J. S. LeNoir

2:10—83. Spatial variability of herbicide sorption on soil. W. C. Koskinen, D. J. Mulla, R. S. Oliveira Jr., B. R. Khakural, P. C. Robert

2:40—84. Effect of variability of soil properties as a function of depth on pesticide sorption-desorption. S. A. Clay, W. C. Koskinen

3:10—Intermission. 3:25—85. Environmental fate of fluometuron

in a watershed from the Mississippi Delta Management System Evaluation Area project. M. A. Locke, R. M. Zablotowicz, L. A. Gaston

3:55—86. Volatile losses in the field: Factors to be considered in designing, conducting, and interpreting studies. M. Earl

4:25—87. Experiments in a volatilization chamber under simulated outdoor conditions: A contribution to a better understanding of field dissipation studies. R. Kubiak

A Catalysis



• Environmental

M Materials * Pharmaceuticals & Life

Sciences

* Science & Intellectual Policies

Section C Renaissance Washington Grand Ballroom North

Synthesis and Chemistry of New and Potential Agrochemicals Herbicides

D. R. Baker, G. S. Basarab, J. G. Fenyes, Organizers J. G. Fenyes, Presiding 1:30—Introductory Remarks. 1:40—88. Novel azole-substituted phenoxy-

pyrimidines: Potent carotenoid biosynthesis inhibiting herbicides (Part I). T. P. Sel-by, J. E. Drumm III, R. A. Coats, F. T. Coppo, S. K. Gee, J. V. Hay, R. J. Paster-is, T. M. Stevenson

2:05—89. 2-Azolyl-4-benzylpyrimidines: Novel and potent carotenoid biosynthesis inhibiting herbicides (Part II). T. M. Stevenson, T. P. Selby, G. E. Koether, J. E. Drumm III, X. J. Meng, R. A. Coats, T. V. Thieu, M. P. Moon, A. L. Casalnuovo, R. Shapiro

2:30—90. Synthesis and structure-activity relationships of novel 3-(4,7-substituted-2,3-benzoheterocyclyl)uracil herbicides. G. Theodoridis, J. T. Bahr, S. D. Crawford, B. Dugan, F. W. Hotzman, L. L. Maravetz, S. Sehgel, D. P. Suarez

2:55—Intermission. 3:10—91. Benzoxazolyl-substituted pyrim-

idinediones: A new class of protox herbicides. S. D. Crawford, K. L. Johnson, G. Theodoridis, L. L. Maravetz, F. W. Hotzman, J. M. Tymonko, J. T. Bahr

3:35—92. Synthesis and biological activity of the new herbicide benzfendizone. G. Theodoridis, J. T. Bahr, F. W. Hotzman, S. Sehgel, D. P. Suarez

Section D Convention Center Exhibit Hall Β

General Posters J. Jenkins, Organizer, Presiding 1:00-3:00 93. Carbon-fluorine bond strength in relation

to photodegradation of fluorinated pesticides. S. A. Mabury, R. I. Wilson, D. A. Ellis

94. Synthesis of substituted uracils as novel herbicides. S. Sehgel, G. Theodoridis, F. W. Hotzman, J. T. Bahr

95. Investigation of the production of valepo-triates from transformed root cultures of Valerianella locusta. N. Kittipongpatana, D. Davis, C. Bentzley, J. Porter

96. QSAR evaluation of natural and synthetic cyanohydrins as insecticides. D-S. Park, J. A. Grodnitzky, J. R. Coats

97. Synthesis and herbicidal activity of 3-(fluoroalkylsulfonyl)triazole derivatives. S. G. Hegde, M. D. Mahoney, A. J. Ciha, A. M. Kassim, W. N. Bolin

98. Synthesis of glycinoeclepin A analogs. G. A. Kraus, C. D. Jones, G. L. Tylka

99. Toxicity studies of chlorpyrifos in the leopard frog and Daphnia magna. L. Gaizick, E. Bass, G. Gupta

100. Transgenic plant: A new source of biodegradable plastics. B-H. Zhang

101. Novel ortho-substituted phenylthiourea insecticides. T. M. Stevenson, T. V. Thieu, M. J. Currie

102. New EPA pesticide database for environmental fate and chemistry. S. L. Liu, E. L. Libelo, M. T. Shamim, J. Holmes, R. Pisigan Jr., T. Nguyen, A. Clem, I. Abdel-Saheb, N. Shamim

103. Arylalkylimidazole insecticides. J. E. Hunter, T. J. Bruce, D. H. DeVries, R. P. Gajewski, M. R. Sabol, J. G. Samaritoni, B. R. Thoreen

104. Controlled-release system for application of cyromazine against mosquitoes. L. Schwartz, D. Wolf, A. Markus, Z. Wiesman

105. Crop profiles for U.S. agriculture: A searchable database on the World Wide Web. W. B. Wheeler, S. J. Toth Jr., W. Burr

106. Effects of antibiotic kanamycin on cotton tissue culture and somatic embryogenesis. B-H. Zhang, F. Liu, Z-H. Liu, H-M. Wang, C-B. Yao

107. Effects of oxidoreductive catalysts on the formation of bound residue of the herbicide bentazon and its metabolite hy-droxybentazon in soil. J-S. Kim, J-W. Park, J-E. Kim

108. Effects of thidiazuron on cotton tissue culture and somatic embryogenesis. B-H. Zhang, F. Liu, Z-H. Liu

109. Enhanced atrazine bioremediation in wetland sediment using organic amendment and microbial inoculation. Η. Β. Runes, P. J. Bottomley, J. J. Jenkins

110. Evaluation of ELISA for quantitative estimation of DDE in cereal-based food samples. N. S. Kawar, G. I. Chammas, S. M. Dagher

111. Evaluation of potential capsaicin contamination of maple sap and syrup. D. A. Goldade, J. J. Johnston, R. B. Chipman

112. Herbicidal difluorobenzodioxole-substi-tuted anilides and quinoxalines. D. L. Pi-otrowski, T. M. Stevenson

113. Magnitude of the dislodgeable chlorpyrifos residue in simulated rainfall following application to building materials: A probe study. S. L. Byrne, S. K. Embrey

114. Metabolism of benzfendizone herbicide in the rat. S. F. EINaggar, R. W. Creekmore, S. S. Cornell, C. Dunn, T. McLaughlin

115. Metabolism of carfentrazone ethyl in wheat and soybean. S. F. EINaggar, R. W. Creekmore, X. Fang, B. C. Patel, T. McLaughlin

116. Novel indazole-containing herbicides. B. J. Dugan, L. L. Maravetz, S. E. Boyd, H. J. Wilk, A. V. Smith, G. Theodoridis, S. D. Crawford, F. W. Hotzman, J. T. Bahr

117. Pseudomycins: Broad spectrum antifungal agents found in plant-associated bacteria. M. J. Rodriguez, G. A. Strobel, S. Hellman

118. Restricted analog design and experimental design strategies of arylalkylimidazole insecticides. D. L. Camper, J. E. Hunter

119. Synthesis and herbicidal activity of nitro-cyclohexenes. C. M. Tice, E. L. Michelotti, R. C. Roemmele, D. H. Young, E. L. Burdge, C. Swithenbank

120. Synthesis and herbicidal activity of tricyclic carboxylic acids. C. M. Tice, L. A. Spangler, J. J. Gallagher, L. M. Bryman, H. C. Smith, M. V. Nunez, B. Li, Y. Man

121. Synthesis of (diethyl-d10) coumaphos and related compounds. J. Kochansky

122. Toxic effects of chemical mixtures at relevant exposures: Minimizing analyses. J. S. Vogel, G. A. Keating, B. Buchholz

123. Transformation of pentachlorophenol through oxidative coupling. J-W. Park, J-E. Kim «

New Developments in Fertilizer Manufacture cosponsored with Division of Fertilizer & Soil Chemistry (see page 89)

WEDNESDAY MORNING


Capturing and Reporting Data in the Electronic Age Regulatory and Enforcement Issues

R. Bennett, Presiding 8:30—Introductory Remarks. 8:35—124. Legal and policy framework for

electronic reporting of environmental compliance reports. E. Huffer

9:05—125. Applications of EPA's "Electronic Data Interchange" to good laboratory practice standards. F. E. Liem

10:05—Intermission. 10:20—126. Food Quality Protection Act of

1996: A new challenge for data generation and submission. T. Beidler

10:50—127. Ε-Commerce for the agricultural chemical industry. M. Hunter

11:20—Panel Discussion. W. Garner, M. Jensen, R. Bennett



Terrestrial Field Dissipation Studies: Purpose, Design, and Interpretation E. L. Arthur, Presiding 8:30—Introductory Remarks. 8:40—128. Electronic soil moisture measure

ments in FIFRA field dissipation and prospective groundwater studies. N. J. Snyder, J. M. Cartron, I. van Wesenbeeck, L. S. Carver

9:10—129. In situ measurements of soil hydrology in a field dissipation study: Implications for understanding pesticide residue movement. W. Chen, T. Wiepke, P. Manu-li, R. Williams, L. Swaim, K. Kabler, R. M. Speth, K. Winton, P. Scott, N. Snyder

9:40—130. Herbicide leaching to shallow groundwater beneath glacial till soils of central Iowa under conservation tillage. T. R. Steinheimer, K. D. Scoggin

10:10—Intermission. 10:25—131. Comparison of tracer and herbi

cide leaching using pipe lysimeters and porous cup lysimeters. I. van Wesenbeeck, L. Carver, J. Cartron, J. Brandt, N. Snyder

10:55—132. Field dissipation studies: The measurement of zero-time residues. D. G. Graham, V. Clay, S. H. Jackson, R. Jones

11:25—133. Field studies of imidacloprid distribution following application to soil through drip irrigation systems. A. S. Felsot, R. G. Evans, L. Tallman, J. R. Ruppert

Section C Renaissance Washington Congressional Hall A

Sterling B. Hendricks Memorial Lectureship Award Cosponsored with Agricultural Research Service N. Ragsdale, Organizer, Presiding 9:00—Introductory Remarks. 9:10—134. Lessons from nature point the

way to environmentally friendly methods for crop protection. W. S. Bowers

Section D

Renaissance Washington Congressional Hall Β

Synthesis and Chemistry of New and Potential Agrochemicals D. R. Baker, Presiding

10:30—Introductory Remarks. 10:40—135. Improved preparation of sap

beetle (Coleoptera nitidulidae) aggregation pheromones. R. J. Petroski, D. Weisleder

11:05—136. Using classic and quantum parameters to determine monoterpenoids' in-secticidal properties. J. A. Grodnitzky, J. R. Coats


WEDNESDAY AFTERNOON


• Agrochemical and Nutrient Impacts on Estuaries C. J. Hapeman, L. L. McConnell, Organizers C. J. Hapeman, Presiding 1:30—Introductory Remarks. 1:35—137. Federal policy impacting contam

inants in wetlands and estuaries. C. P. Di-onigi

2:00—138. Use of the killifish Fundulus het-eroclitus to assess endocrine disruption in the Chesapeake Bay. A. S. Paît, J. Nelson

2:25—139. Imidacloprid concentrations in Wil-lapa Bay (Washington) water and sediment following application for control of burrowing shrimp. A. S. Felsot, J. R. Ruppert

2:50—Intermission. 3:05—140. Agricultural copper: Transport

and toxicity in runoff from tomato fields to estuaries. A. M. Dietrich, D. L. Gallagher

JULY 24, 2000 C&EN 6 3

AGRO/ANYL/TECHNICAL PROGRAM

3:30—141. Comparative effects of cultivation practices (vegetative versus polyethylene mulch) on pesticide-related ambient toxicity in estuarine habitats. P. R. Hetzer, S. S. Brown, P. J. Rice, J. E. Baker, J. A. Harman-Fetcho

3:55—142. Herbicide and insecticide mass loadings from the Susquehanna River to the northern Chesapeake Bay. B. Liu, L. L. McConnell, A. Torrents


Terrestrial Field Dissipation Studies: Purpose, Design, and Interpretation J. S. LeNoir, Presiding 1:30—143. Field dissipation of indoxacarb, a

new insecticide. J. C. Ruhl, A. C. Barefoot 2:00—144. Diazinon dissipation from vegeta

tion in apple orchards from Washington and Pennsylvania. G. P. Cobb III, L. W. Brewer, E. H. H. Hoi, C. M. Bens

2:30—145. Field dissipation of [14C]ET-751 (pyraflufen-ethyl) in bare ground in California. F. C. Baker, L. Estigoy, E. Kimmel, Y. Ikemoto, Y. Kimura, M. Shigemura

3:00—Intermission. 3:15—146. Modeling the effect of precision

agriculture on pesticide losses to surface waters. D. J. Mulla, P. Gowda, W. C. Kos-kinen, B. R. Khakural, P. C. Robert

3:45—147. Field dissipation of chlorothalonil following sequential chemical application: A case study of fungicide use in peanut production. T. L. Potter, R. D. Wauchope, A. K. Culbreth

4:15—148. Field dissipation of chlorothalonil following sequential applications in peanuts: Modeling and metabolite tracking. R. D. Wauchope, T. L. Potter, A. K. Cul-breath

4:45—149. Determining the field dissipation and potential off-site movement of an agrochemical product through field studies and environmental modeling. P. J. Rice, G. D. Mangels, Μ. Μ. Safarpour


Synthesis and Chemistry of New and Potential Agrochemicals Insecticides and Fungicides

R. J. Brown, Presiding 1:30—Introductory Remarks. 1:35—150. Insecticidal /V-arylalkylbenz-

hydrolpiperidines: Optimization of the ben-zhydrol region. R. N. Henrie II, S. F. Ali, K. G. Anouna, T. A. Bara, E. J. Barron, J. W. Buser, D. H. Cohen, P. A. Cruickshank, T. G. Cullen, M. E. Ditolvo, J. A. Dybas, D. J. Kerwick, L. V. LaFrance, D. C. Lloyd, J. W. Lyga, M. J. Manning, F. L. Marek, A. C. Oliphant, C. J. Peake, M. J. Plummer, D. S. Rosen, E. G. Rowley, I. R. Silverman, S. W. Szczepanski, M. A. Walsh, C. A. Webster, J. M. Wierenga

2:00—151. Optimization of the para-arylalkyl group of the /V-arylalkylbenzhydrol-piperidine insecticides. T. G. Cullen, S. F. Ali, T. A. Bara, J. W. Buser, D. H. Cohen, P. A. Cruickshank, M. E. Ditolvo, J. A. Dybas, J. F. Fiordeliso, S. E. Fiordeliso, R. N. Henrie II, D. J. Kerwick, L. V. LaFrance, D. C. Lloyd, J. W. Lyga, F. L. Marek, A. C. Oliphant, C. J. Peake, M. J. Plummer, D. S. Rosen, I. R. Silverman, S. W. Szczepanski, M. A. Walsh, C. A. Webster, J. M. Wierenga, W. H. Yeager

2:25—152. Synthesis of thiobiphenyl oxazo-lines and their biological activity in control of insect and acarid pests. J. K. Long, T. M. Stevenson, G. D. Annis, R. Shapiro, P. Sharpe, L. Jones, B. Crouse, B. J. Meyers

2:50—Intermission. 3:05—153. Synthesis and biological activity

of A7-(4-phenoxybenzyl) heterocyclic amides. D. W. Piotrowski, B. K. Smith, B. M. Reeves

3:30—154. Synthesis of triazolone and isox-azolone compounds: Active as fungicides. R. J. Brown, K-M. Sun, D. A. Frasier


THURSDAY MORNING


• Agrochemical and Nutrient Impacts on Estuaries L. L. McConnell, Presiding 8:30—Introductory Remarks. 8:35—155. Potential influence of subsurface

drainage in sugar cane cultivation on estuarine water quality of Louisiana's Gulf Coast. L. M. Southwick, B. C. Grigg, T. S. Komecki, J. L. Fouss

9:00—156. Assessing riparian buffer function for improved water quality. G. W. McCar-ty, J. Angier, S. Mookherji

9:25—157. Impacts of a riparian buffer area on the fate and transport of atrazine, me-tolachlor, and cyanazine. C. P. Rice, K. Bialek, G. McCarty, J. Rheinstein

9:50—Intermission. 10:05—158. Nutrient cycling and transport in

the Chesapeake Bay watershed: Integrating research into agricultural policy and management. J. T. Sims

10:30—159. Role of nutrient runoff in altering downstream ecosystems: Florida Bay, Florida. P. V. Zimba

10:55—160. Ecotoxicological assessment of agricultural nonpoint source pesticide runoff impacts on living marine resources of South Carolina and south Florida watersheds. G. I. Scott, M. Fulton, J. Kucklick, D. Bearden, E. D. Stozier, A. K. Leight, P. B. Key, J. W. Daugomah, E. F. Wirth, M. G. Delorenzo, G. T. Chandler


Terrestrial Field Dissipation Studies: Purpose, Design, and Interpretation V. E. Clay, Presiding

8:45—Introductory Remarks. 9:00—161. Determination of detection pa

rameters for LC/MS/MS residue methods used for soil dissipation studies. W. M. Leimkuehler, K. M. Billesbach, C. K. Lam

9:30—162. Field dissipation study of cyhalofop-butyl herbicide in U.S. rice-culture systems. J. A. Knuteson, R. S. Helms, T. Ksander, D. R. Foster

10:00—Intermission. 10:30—Panel Discussion. 11:30—Concluding Remarks.

THURSDAY AFTERNOON


• Agrochemical and Nutrient Impacts on Estuaries C. J. Hapeman, Presiding 1:30—Introductory Remarks. 1:35—163. Historical changes in land use

and nutrient yield coefficients in the Choptank River basin. J. A. Benitez, T. R. Fisher

2:00—164. Effects of agricultural land use on export of nitrogen and phosphorus from the Choptank River basin in the mid-Atlantic coastal plain. T. R. Fisher

2:25—165. Ammonia release from large-scale animal production facilities. W. P. Robarge, R. B. McCulloch, W. Cure

2:50—166. Gaseous ammonia emissions near poultry houses and swine operations. P-Y. Whung, W. Robarge

3:15—167. Ammonia release from large-scale animal production facilities in eastern North Carolina: Using throughfall to measure deposition. W. P. Robarge, W. Cure


Terrestrial Field Dissipation Studies: Purpose, Design, and Interpretation V. E. Clay, E. L Arthur, A. C. Barefoot, Organizers 1:00-3:00 168. Day-0 sampling strategy and analysis.

H. Sommer 169. Rapid determination of pesticides in

soil. H. Sommer 170. Simple, fast, and efficient LC/MS/MS

method for the analysis of oxamyl and its oxime metabolite in groundwater and soil pore water. E. Wickremesinhe, J. Brisbin, J. C. Ruhl

171. Photostabilities of fungicides on two pesticide application monitors. J. H. Mas-sey, S. K. Singles

172. Fate of disulfoton in a California soil ly-simeter study. M. Lenz, F. C. Baker, K. Aldcroft

173. Two soil monolith lysimeter designs for studying the fate and transport of plant protectants. M. Lenz, J. E. Hansen

174. Terrestr ial f ield dissipation of [14C]flufenpyr-ethyl. F. C. Baker, D. S. McKemie, J. W. White, D. Peel, P. N. Coody, A. F. Rose

175. Soil recharge and water-balance issues in terrestrial field dissipation studies. K. A. Taylor, J. H. Massey

ANYL

DIVISION OF ANALYTICAL CHEMISTRY B. Chase, C. L. Wilkins, Program Chairs


National Science Foundation Symposium: Instrumentation and Laboratory Improvement (IU) Program; Course, Curriculum, and Laboratory Improvement (CCU) Program (see Division of Chemical Education, Mon, page 69)

Stat» of the Art: New Developments in FTIR and FT-Raman Spectroscopy (see Division of Chemical Education, Tue, page 71)

Undergraduate Research Poster·: Analytical (see Division of Chemical Education, Mon, page 69) BUSINESS MEETING: Sat

SOCIAL EVENTS: Social Hour, Sun, Mon Dinner, Mon


SUNDAY AFTERNOON Marriott Metro Center Ballroom, Salon Ε

Analytical Chemistry: A Broad Spectrum of Career Opportunities C. Larive, Organizer, Presiding 1:30—Introductory Remarks. 1:40—1. Career opportunities for analytical

chemists at the graduate research university: Non ministrari sed ministrare. P. A. Mabrouk

2:00—2. Succeeding as a faculty member at an undergraduate institution. T. J. Wenzel

2:20—3. One woman's view of analytical chemistry in a U.S. federal (and military) laboratory. D. R. Rolison

2:40—4. Industrial research opportunities for B.S., M.S., and Ph.D. analytical chemists. D. R. Webb

3:00—Intermission. 3:15—5. Career paths for B.S.-/M.S.-level

chemists in industry: Making the most of your degree. T. K. Barbarakis

3:35—6. Transition zone: From academia to start-up to instrument sales. D. L. Olson

3:55—Panel Discussion. 4:40—Concluding Remarks.

SUNDAY EVENING Convention Center Exhibit Hall D

General Papers B. Chase, Presiding 7:00-9:00 7. Study of a thermal elimination reaction of

a poly(p-phenylene vinylene) precursor. Y. Liszewski, Q. Arbuckle-Keil

8. Analyses of valued Chinese medicines, Ganoderma and Cordyceps sinensis: Comparison of both qualitative and quantitative results from HPLC and TLC studies. T-P. Chan, K-W. Ma, F-T. Chau

9. Cyclic voltammetry determination of chelation constants using competitive reaction. C. O. Ngowe, K. A. Berglund

10. Extreme UV spectroscopic studies of hydrogen emission from incandescently heated hydrogen gas with certain catalysts. R. L. Mills, Y. Lu, J. Dong, N. Greenig

11. Formation of a plasma and novel hydrides from incandescently heated hydrogen gas with certain catalysts. R. L. Mills, B. Dhandapani, N. Greenig, J. He, J. Dong, Y. Lu, J. P. F. Conrads

12. Gradient chromatofocusing: The effect of inorganic salt concentration and composition on protein separation. L. Shan, D. J. Anderson

13. Headspace GC/MS analysis of volatile organic compounds in pathology specimens and consumer products. D. M. Wong-Verelle, S. C. Cordero, B. Moeller, V. F. Kalasinsky

14. Novel inorganic hydride. R. L. Mills 15. Replica molding of LC column micro-

structures in poly(dimethylsiloxane). E. Lugowska, M. Tang, F. E. Régnier

16. Sensitive detection of analytes using laser wave mixing. W. G. Tong, M. M. Lopez, J. A. Schafer

17. Spectroscopic studies on novel alkali and alkaline earth hydrides. R. L. Mills, B. Dhandapani, J. He

18. UV-vis DRS analysis for the identification of intra- and extra-framework gallium species in [Ga]-MFI zeolite. H-S. Hahm, J. Park, S-B. Kim, T-O. Kim

19. Dynamic artificial stomach and intestine model to evaluate the bioavailability of drugs and formulations. D. C. Sperry, M. Hawley

20. Few applications of the quartz-crystal microbalance/heat conduction calorimeter, a novel thermogravimetrical tool. A. L. Smith, H. M. Shirazi, S. R. Mulligan, J. M. Ciraolo, A. Ayrapetova, B. Jacob, D. Schneider

21. General SFC method: Conquering the requirements. J. M. Stevens, A. Hamstra

22. New class of highly fluorescent imidazole dye containing polymers for potential analytical applications. J. Santos, X. R. Bu, E. A. Mintz

23. New standard reference material for LC column evaluation. L. C. Sander, S. A. Wise

6 4 JULY 24, 2000 C&EN

24. Novel H PLC detector: Generating on-the-fly fluorescence lifetimes concurrently at multiple emission wavelengths. P. Ram-age, S. Reeve, M. A. Dvorak, G. D. Gil-lispie

25. Novel molecular controlled semiconductor device: A new sensor for metal ions. R. Benshafrut, D. Cahen, A. Haran, R. Naa-man, B. Schneider, A. Shanzer, D. Shvarts

26. Novel on-line oil content monitoring system: UV fluorescence and light scattering as inputs to an artificial neural network calibration algorithm. L-M. He, L. L. Kear-Padilla, S. H. Lieberman, J. M. Andrews

27. Rapid, simplified SPME procedure for the determination of moderately hydrophobic herbicides in agricultural run-off. J . Schaumloffel, R. M. Allen-King, D. Tal-mage

28. Accelerating the rate of process screening and optimization using the OptiMate Workstation. J. M. Stevens, M. Harding, V. Watson

29. Advancements in determination of aluminum in environmental and biological materials by 27AI nuclear magnetic resonance spectrometry. S. Bi, X. Wang, G. Zou

30. Advances in the application of RPP and SSV to the study of trace metal binding by heterogeneous ligands. M. Filella, R. M. Town

31. Analytical evaluation of a trace, bioactive constituent in lodenosine, a new anti-AIDS drug. M. L. Sethi, H. Ford, J. S. Roth, R. Agbaria, D. G. Johns, J. A. Kelley

32. Analysis of D/L-amino acids in nerve tissue samples. Y-M. Liu, S. Zhao, W. Williams

33. Analysis of stream fulvic acids using terbium fluorescence spectroscopy. D. J. Nelson, S. Dunn, G. Rolle, K. M. Elkins

34. Analysis of the microheterogeneity of PSP coatings via fluorescence microscopy. J. Bedlek-Anlsow, K. S. Schanze, J. P. Hubner, B. F. Carroll, W. Tan

35. Analytical chemistry of finding explosives with honeybees. M. E. Sigman, G. C. Smith, R. H. ligner, D. C. Jones, C. Y. Ma

36. Applications of high-resolution surface plasmon resonance spectroscopy. S. Wang, S. Boussaad, S. Wong, N. Tao

37. Approaches to on-line API mass spectrometry: Kinetics of the base hydrolysis of isatin. J. Brum, P. Dell'Orco, J. Littell, S. Lapka, K. Muske

38. Assessment of structural changes in human hair by near-IR microscopy. L. J. Kir-schenbaum, L. Coutinho, S. W. Huffman, C. W. Brown

39. Biosensor for Salmonella detection. Y. Tang, J. Barbaree, V. Vodyanoy, B. Chin, B. Fiebor, C. Bailey, W. Yan, H. Chen, K. Krome

40. Cadmium-113 NMR studies of cadmium/ fulvic acid complexes. W. H. Otto, W. R. Carper, C. K. Larive

41. Characterization of biopolymers by size exclusion chromatography equipped with right-angle laser light scattering and viscosity detectors. C. Yomota, T. Miyazaki, S. Okada

42. Characterization of complexation between metal ions and organic chro-mophores. J. J. Tulock, G. J. Blanchard

43. Characterization of iron-containing proteins in human serum. D. M. Bunk, M. J. Welch

A Catalysis • Chemistry & Computers • Federal & Private Sector


• Environmental M Materials * Pharmaceuticals & life

Sciences Φ Science & Intellectual

Policies

44. Characterization of polymer-based reversed-phase liquid chromatographic phases using multivariate resolution methods. S. R. Anthony, S. Nigam, S. C. Ru-tan

45. Characterization of retention on octade-cylsilica phases using principal components analysis. L. A. Lopez, S. C. Rutan, L. Snyder, J. Dolan, J. Dorsey

46. Characterization of tetanus toxin protein-ligand noncovalent complexes using mass spectrometry. S. J. Shields, R. L. Balhorn

47. Chromatographic analysis of organic intermediates in photocatalytically treated aqueous solutions of lindane in the presence of PW^O^3*. C. Nezis, A. Hiskia, S. Boyatzis, E. Papaconstantinou

48. Combinatorial screening of electrocata-lysts for amperometric glucose sensors. Y. Sun, B. C. Chan, T. E. Mallouk, H. Buck

49. Comparison of approaches to confidence intervals of linear calibration. Y. Hayashi, R. Matsuda, M. Katsumine, K. Iwaki, Y. Tagashira, C. Yomota

50. Complexation in aqueous solvent mixtures: Raman spectroscopy and chemo-metric analysis. C. A. Holden, S. S. Hun-nicutt, S. C. Rutan

51. Complimentary purification of a new peptide by using ion-exchange and reversed-phase chromatography. J . Liu, P. C. Rahn

52. Cryogen-free measurement of ambient C2-C12 volatile organic compounds. J-L. Wang, W-L. Chen, M. Lin

53. Detection of nitroaromatic compound vapors using an optical sensor array and pattern recognition. G. A. Bakken, G. W. Kauffman, P. C. Jurs, K. J. Albert, S. S. Stitzel, D. R. Walt

54. Detection of P450 metabolites by MALDI-TOF with application of a binary phase extraction. M. Olson, D. Fabris

55. Determination of capsaicins in hot chili peppers with micellar electrokinetic chromatography. A. H. Wu, D. C. Locke

56. Determination of cyclooxygenase-2 specific inhibitors (rofecoxib and celecoxib) in dosage form and plasma using chromatographic/spectrometric methods. S. M. Blaih

57. Determination of sulfonamide in meat by liquid chromatography/electrospray mass spectrometry. M-R. Fuh, S-A. Chan

58. Development of real-time DNA hybridization assays using fiber-optic sensors. R. H. Smith, B. Henderson, W. D. Lancaster, A. P. Hudson, J. G. Downward IV, J. L Erb

59. Development of redox probes for re-agentless biosensors. S. A. Trammell, L. M. Tender, D. W. Conrad, H. W. Hellinga

60. DNA analysis based on a micro-fabricated capillary electrophoresis device. M. Ueda, Y. Baba

61. Effect of the temperature and polar solvents in the separation of polyethoxylated surfactants by HPLC. N. Marquez, F. J. Ysambertt, G. E. Chavez, Β. Β. Bravo

62. Effects of diluent monomers on properties of experimental dental polymers. C. J. E. Floyd, S. H. Dickens

63. Electroless deposition and corrosion studies of amorphous Ni-Re-P alloys deposited from acidic hypophosphite solutions. D. E. Mencer

64. Enhanced retention and sensitivity in the analysis of cyanuric acid in water using porous graphitic carbon and UV detection in HPLC. R. Cantu, O. Evans, F. K. Kawa-hara, A. P. Dufour

65. EXAFS investigation of Lao.eCao^CoOH perovskite catalyst in bifunctional oxygen electrodes. O. Haas, S. Muller, F. Holzer, J. McBreen, X. Sun, X. Q. Yang

66. Extraction of essential oil of Thymus capitals and Juniperus Phoenicia L. of Tunisia: Influence of the pressure on the composition and the kinetics of the extraction of the essential oil. M. Abderrabba, L. Hedhili, M. Romdhane, A. Gadri

67. Fast GC-ECD analysis for decoding large combinatorial libraries. Y. Jin, J. Guo, N. Volpe, R. E. Dolle

68. Fast-gradient liquid chromatography/ mass spectrometry for high-throughput quality control of encoded combinatorial library. K. J. Bowman, W. Li, R. E. Dolle

69. Fluorescence lifetime imaging of organic thin films in near-field scanning optical microscopy. E-S. Kwak, T. Kang, J. Teetsov, D. A. Vanden Bout

70. Formation and structure of self-assembled monolayers of n-octadecyltrichloro-silane on fumed and colloidal silica. R. Wang, S. L. Wunder

71. FT-Raman studies of porphyrin macrocycles. M. Mylrajan

72. Fully automated FIA-MS/LC-MS analysis of combinatorial libraries utilizing switching valves. C. Meyer Hicks, L. W. Dillard, R. E. Dolle

73. Glucose sensors based on redox biopolymer-enzyme films. W. Gorski, N. Guo

74. HPLC of 5-amino-1,3,2-dithiarsenane derivatives using photodiode-array and particle beam MS detection. F-L. Hsu, P. C. Bossle

75. High-sensitivity detection of bacterial en-dospores. N. F. Fell Jr., P. M. Pellegrino, J. B. Gillespie

76. High-performance liquid chromatographic determination of cocaine and its metabolites in serum microsamples with fluorimet-ric detection and its application to pharmacokinetics in rats. L. Sun

77. HPLC method validation for assay and degradation products of efavirenz oral solution. L. A. Gearhart, J. M. Garcia, R. W. Woodeshick, J. Segretario, P. K. Hovsepi-an

78. Indirect determination of aluminum in surface waters by coulometric back titration. S. Bi, J. Weng, J. Xu, L. Huang

79. Intercore and intershell structures and reactivities for nanoparticle thin-film assembling and chemical sensing. L. Han, F. L. Leibowitz, M. M. Maye, D. R. Daniel, C-J. Zhong

80. Interactive combinations of tamoxifen and 9-c/s-retinoic acid and their role in human breast cancer chemoprevention. M. M. Haghpanah, E. J. Branca, J. J. Mlt-nick

81. Investigation of a pharmaceutical drug substance degradation product profile by HPLC using high-pH mobile phases. M. A. Quarry, C. Gau, D. Buckley

82. Investigation of near-IR fluorescent dyes for use as cell stains in cytotoxicity studies. R. J. Williams

83. Ion-induced interfacial dynamics of phospholipid monolayers. S. Chen, K. Huang

84. Isolation of amphetamines from human hair using on-line derivatization/super-critical fluid extraction. J. F. Morrison, A. L. Rada

85. Large-volume stacking using an elec-troosmotic flow pump at high pH. M-S. Chun, D. S. Chung

86. Laser ablation of polymer substrates for the fabrication of microfluidic devices. E. A. Waddell, S. L. R. Barker, D. J. Ross, L. E. Locascio, G. W. Kramer

87. Liquid-liquid-liquid extraction as a pre-concentration method in capillary electrophoresis. K. Choi, Y. Kim, D. S. Chung

88. Measurement of DNA-protein interactions by CE. R. P. Singhal

89. Metal coatings on fused silica and the effects of surface features on the transmit-tance of optical filters. P. C. DeRose, J. C. Travis, M. V. Smith, G. W. Kramer

90. Methylation of homocysteine to methionine by 5-methyltetrahydrofolate. H. A. Green, S. L. Ballard, D. J. Ross, J. J. Mitnick

91. Molecular modeling study of doped and undoped oligomers of poly(vinyl)ferrocene using an extensible systematic force field (ESFF). E. Aouad, S. Bruckenstein

92. NMR diffusion characterization of surfactant vesicles used in vesicular electrokinetic chromatography. B. J. Cutak, J. L. Razak, C. E. Lunte, C. Larive

93. On-line trace analysis of human hair: Forensic and health-related applications. B. A. Benner, J. A. Degrasse

94. Optical anion sensing of indium-porphyrin and lipophilic dichlorofluorescein doped films. E. Wang, C. Romero, D. Santiago


95. Optical electron transfers in electrochem-ically generated mixed-valent films of molten ruthenium tris-bipyridine. E. Dickinson V, J. E. Ritchie, R. W. Murray

96. Optical fiber sensors using the dynamic modification procedure. D. R. Fry, D. R. Bobbitt

97. Particle size method development of a drug substance using laser diffraction with comparison to visual analysis. S. A. Lerke, J. L. Addison, P. K. Hovsepian

98. Performance-based quality assurance program for the analysis of PAHs, PCB congeners, and chlorinated pesticides in marine tissue and sediment samples. M. M. Schantz, R. M. Parris, S. A. Wise

99. Permanent chemical modifier for the determination of selenium by tungsten coil atomic absorption spectrometry. X. Hou, Z. Yang, Β. Τ. Jones

100. pH-Dependent kinetic studies of E. coli lipoamide dehydrogenase: Substrate inhibition of the WT and H444Q enzyme forms. A. Van Gilder, N. Hopkins

101. Phenothiazine omega-functionalized monolayer-protected cluster molecules. D. T. Miles, R. W. Murray

102. Prediction of protein signal sequences and their cleavage sites. K-C. Chou

103. Preparation and characterization of polylactic acid/polymaleimide blends. P. Agarwal, K. A. Berglund

104. Properties of novel nitric oxide sensitive polymers. K. M. Padden, J. F. Krebs, R. Scarrow, A. S. Borovik

105. Quantification of impurities migration and concentration for semiconductor lithographic materials. F-H. Ko

106. Quantitative enantiomeric analysis of drugs via FT-ICR MS. G. Grigorean, C. B. Lebrilla

107. Raman spectroscopy of tumorigenic cells. K. M. Omberg, J. P. Freyer, J. R. Schoonover

108. Recognition of flexible peptides in water by transition-metal complexes. S. Mallik, M. A. Fazal, S. Sun, B. C. Roy

109. Relative transfer rates of water and potassium ion during the redox switching of Prussian Blue. K. Kim, I. Jureviciute, S. Bruckenstein

110. Remote query analysis of blood clotting utilizing magnetoelastic sensors. M. Issa, C. A. Grimes, L G. Bâchas

111. Selection of chiral selectors from a small parallel combinatorial library. T. Li, Y. Wang

112. Selenium-77 nuclear magnetic resonance structural analysis of selenomethionine oxidation products. Ε. Μ. Carey, P. A. Pleban

113. Simultaneous determination of trace amounts of six elements in certified river water reference materials by graphite furnace AAS. T. Shoji, T. Seki, K. Oguma

114. Solid redox mediators for enzyme electrodes. W. Gorski, L. Chen

115. Study of interaction of acetone with methanol-water mixtures using infrared spectroscopy and chemometrics. J. E. Hayman, S. S. Hunnicutt, S. C. Rutan

116. Tackling purification and fraction collection via supercritical fluid chromatography. J. M. Stevens, A. Hamstra

117. Tail-tail dynamics of polymers dissolved in supercritical fluids at infinite dilution. M. A. Kane, G. A. Baker, S. Pandey, F. V. Bright

118. Total mercury determination in crude oil by microwave digestion and cold-vapor atomic absorption spectroscopy. J . Q. Sun, C. M. Lillemoen, T. A. Erickson, M. D. Kurz

119. Toward practical biosensors: Interfacing enzymes and electrodes using chitosan. W. Gorski, J. Cruz

120. Use of AFM for the study of structural changes in coal and char during pyrolysis. O. Yamada, M. Zabat, H. Yasuda, M. Kaiho

121. UV-vis spectrometer and γ-counter for studying thyroidal changes. R. Kasturi

122. Vibrational spectroscopic studies of chrome-tanned leather. D. C. Shelly

JULY 24, 2000 C&EN β 5

ANYL/CARB/TECHNICAL PROGRAM

MONDAY MORNING Marriott Metro Center Ballroom, Salon Ε

Awards Symposium D. B. Chase, Organizer T. R. Williams, Presiding 9:00—Introductory Remarks. 9:20—123. Spectrochemical analysis: Does

this rainbow have a pot of gold? J. A. Caruso

9:50—124. Analytical science at the center of chemistry and beyond its fringe. R. F. Hirsch

10:20—Intermission. 10:35—125. Cal Giddings and temperature

programming. H. M. McNair 11:05—126. Structure and reactivity at car

bon electrodes: Is carbon finally yielding to our collective scrutiny? R. L. McCreery

MONDAY AFTERNOON Marriott Metro Center Ballroom, Salon Ε

Frontiers in Chemical Instrumentation D. Muddiman, Organizer, Presiding 1:00—Introductory Remarks. 1:10—127. 23 years following John Fenn:

Molecule inertia and multiply-charged electrospray clusters. J. Fernandez de la Mora

1:40—128. Impact of electrospray ionization on industry. B. Larsen

2:10—129. Fourier transform ion cyclotron resonance mass spectrometry: A celebration of the power of electrospray ionization. A. G. Marshall, C. L. Hendrickson, M. R. Emmett

2:40—Intermission. 2:55—130. In honor of John Fenn: Molecular

beam studies of interfacial reactions of HCI with liquid glycerol. G. Nathanson, B. Ringeisen

3:25—131. In the footsteps of a great master: Free jets and common sense. G. Scoles

TUESDAY MORNING

Section A Marriott Metro Center Ballroom, Salon Ε

Detection of Explosives: Challenges for Chemists Pre-blast Detection

Cosponsored with Division of Chemical Education and Division of Physical Chemistry R. Q. Thompson, Organizer F. T. Fox, Presiding 8:30—Introductory Remarks. 8:35—132. Application of explosive detection

methods to airline passenger luggage. F. T. Fox

9:05—133. Availability and analysis of explosives residue. J. C. Oxley, J. L. Smith, E. Resende, R. T. Chamberlain

9:35—134. ATF explosives detection research and development efforts. R. A. Strobel, M. L. Fultz

10:10—Intermission. 10:25—135. Detection of landmines by nu

clear quadrupole resonance. A. N. Garro-way, M. L. Buess, J. B. Miller

10:55—136. Explosives detection using ion mobility spectrometry: What's next? D. A. Atkinson, C. J. Miller, K. A. Daum, R. G. Ewing

11:25—137. Explosives detection: Case studies. S. G. Burmeister

Section Β Marriott Metro Center Ballroom, Salon D

Distinguished Service in the Advancement of Analytical Chemistry H. Blount, Organizer R. Marianelli, Presiding 8:30—Introductory Remarks. 8:35—Awardee Remarks. 8:45—138. Science at the interface. A. Patri-

nos 9:15—139. Analytical instrumentation in the

century of biology. L. Makowski

9:45—140. Characterizing environmental contamination: The hardest part is still ahead. M. Gilbertson

10:15—Intermission. 10:30—141. Biology at the level of the cell. J.

C. Cassatt 11:00—142. Environmental and biomedical

separations using polymeric surfactants in micellar electrokinetic capillary chromatography. I. Warner Sr.

11:30—143. Analytical chemistry at the interface of multidisciplinary science. M. V. Buchanan

TUESDAY AFTERNOON


Detection of Explosives: Challenges for Chemists Post-blast Detection

Cosponsored with Division of Chemical Education and Division of Physical Chemistry D. D. Fetterolf, Presiding 1:30—Introductory Remarks. 1:35—144. Detection of explosives residue.

M. L. Miller 2:05—145. Investigating bombing incidents:

Case studies. K. Mount 2:35—146. Liquid chromatography/mass

spectrometry of explosives: Mechanistics and applications. J. Yinon, J. E. McClel-lan, R. A. Yost

3:05—Intermission. 3:20—147. Analysis of low explosives by

capillary electrophoresis and ion chromatography. B. R. McCord

3:50—148. Application of solid-phase micro-extraction to the recovery of explosives residue from post-blast debris. J. R. Almirall, K. G. Furton

4:20—149. Determination of explosives by gas chromatography. Μ. Ε. Walsh, T. F. Jenkins, A. D. Hewitt, T. A. Ranney


Frontiers in Spectrochemical Analysis R. K. Marcus, Organizer, Presiding 1:20—Introductory Remarks. 1:30—150. Use of gel electrophoresis and

capillary electrophoresis coupled to ICP-MS for high-resolution speciation measurements. C. W. McLeod

2:00—151. Elemental speciation by capillary electrophoresis/inductively coupled plasma mass spectrometry. G. Horlick, J. Wang

2:30—152. Aerosol interfacing options with micro- and nanonebulization for speciation studies with LC/ICP/MS and LC/MS. R. F. Browner, T. H. Cao, W. Z. Shou, V. deJesus, C. M. Nolan, C. W. Bayer, S. W. May

3:00—Intermission. 3:15—153. Sample introduction into plasmas:

The heart of the matter. A. Montasser 3:45—154. True elemental speciation in gas

eous specimen analysis through brute simplicity: Pulsed glow discharge mass spectrometry. V. Majidi

4:15—155. True elemental speciation in Η PLC analysis through brute simplicity: Particle beam glow discharge mass spectrometry. R. K. Marcus

WEDNESDAY MORNING


* Proteomics and Genomics in the 21st Century W. G. Kuhr, S. J. Lillard, Organizers S. J. Lillard, Presiding 8:30—Introductory Remarks. 8:35—156. High-density optical sensor

micro- and nanoarrays for genomics and proteomics. D. R. Walt, C. Schauer, J. Epstein, J. Ferguson

9:15—157. Genetic analysis by mass spectrometry. L. M. Smith


10:10—158. Identification of up-regulated protein in E. coli based on signature peptides approach. A. Chakraborty, F. E. Régnier

10:50—159. Measurements of nucleic acids and proteins in individual cells. S. J. Lillard, F. Han, S. Chen, J. L. Zabzdyr, C. E. McCoy, R. Shaker


Frontiers in Electrochemistry T. Kuwana, Organizer, Presiding 8:50—Introductory Remarks. 9:00—160. Controlling carbon surfaces for

electroanalysis. R. M. Wightman 9:30—161. Electron transfer reactions at

conductive microcrystalline and nanocrys-talline diamond film electrodes. G. M. Swain

10:00—Intermission. 10:15—162. Scanning Kelvin probe force mi

croscopy studies of corrosion. P. Schmutz, D. Devecchio, V. Guillaumin, G. S. Frankel

10:45—163. Application of Raman microscopy on corrosion study of aircraft aluminum alloy and steel. J. Zhao, R. L. McCreery, G. S. Frankel, F. Allen

11:15—164. Modulation techniques in in situ UV-vis spectroelectrochemistry. D. Scherson, Y. V. Tolmachev, I. C. Stefan

WEDNESDAY AFTERNOON


* Proteomics and Genomics in the 21st Century W. G. Kuhr, Organizer S. J. Lillard, Presiding 1:30—165. High-speed, high-throughput mu

tation detection based on capillary electrophoresis. E. S. Yeung, Q. Gao

2:10—166. Plastic microfluidic chips for multiplexed genetic analysis. S. J. Williams, I. Cruzado, P. Kao, A. Sassi, S. Singh, H. Tan, M. Cronin

2:50—Intermission. 3:05—167. Proteomics and mass spectrom

etry: Reading protein expression by high-resolution mass spectrometry of whole-cell lysates. Z-Y. Park, D. H. Russell

3:45—168. Single-cell proteome project. N. J. Dovichi, Z. Zhang, S. Krylov, E. Arria-ga, S. Hu, D. Michels



Frontiers in Electrochemistry T. Kuwana, Presiding 1:30—169. Electrochemical attachment of

functional groups to carbon surfaces for controlling protein adsorption. Μ. Τ. Mc-Dermott, J. K. Kariuki, T. C. Ta, R. Chowdhury

2:00—170. Selectivity manipulation of separation by electrochemically modulated liquid chromatography. M. D. Porter, J. Har-nisch, Z. Hu, H. Takano, D. Gazda, D. Keller

2:30—171. CV and FIA study of ions and molecules partitioning into fractured carbon fiber electrodes. T. Kuwana, B. Coleman, T. H. Huang, R. S. Kelly, J. E. Flynn



THURSDAY MORNING Marriott Metro Center Ballroom, Salon Ε

Quantification of Measurement Uncertainty Why It Is Important and the Tools Used To Estimate Uncertainty

T. Vetter, Organizer, Presiding 8:30—Introductory Remarks. 8:35—172. Impact of a unified approach to

estimating measurement uncertainty on the international comparability of measurements and standards. R. L Watters Jr.

9:05—173. Quantifying uncertainty in analytical measurement: The new Eurachem/ CITAC guide. T. Vetter

10:00—Intermission. 10:20—174. Interpretation of the guide to the

expression of uncertainty in measurement. R. N. Kacker

10:50—175. Statistical experimental design concepts for uncertainty evaluation. M. S. Levenson

11:20—176. Stepwise approach to quantification of uncertainty in analytical measurements. T. Vetter


THURSDAY AFTERNOON Marriott Metro Center Ballroom, Salon Ε

Quantification of Measurement Uncertainty Applications to Specific Analytical Chemistry Measurements

T. Vetter, Presiding 1:00—Introductory Remarks. 1:05—177. Sources of uncertainty in instru

mental neutron activation analysis. R. R. Greenberg

1:30—178. Errors in both variables for calibration lines. F. Guenther, S. Leigh

1:55—179. Quantifying uncertainty in an EDTA titration. J. M. Smeller

2:20—180. Quantification of measurement uncertainty for organic analytical measurements: Current practice and current/future needs. R. M. Parris, M. J. Welch, M. M. Schantz

2:45—Intermission. 3:00—181. Quantification of measurement

uncertainties of reference materials manufactured by SPEX CertiPrep. D. R. H. Obenauf, N. Kocherlakota, V. Sivakumar

3:25—182. Assignment of certified value and uncertainty for the NIST SRM 3100 series of single-element standard solutions. G. C. Turk

3:50—183. Uncertainty budgeting in the certification of reference materials by ICP-MS. L L Yu


CARB

DIVISION OF CARBOHYDRATE CHEMISTRY Z. J. Witczak, Program Secretary C. F. Brewer, Chair


P2 Nucleotide Receptors (see Division of Medicinal Chemistry, Tue, page 105)

SOCIAL EVENTS: Dinner, Mon Social Hour, Mon BUSINESS MEETING: Sun

6 6 JULY 24, 2000 C&EN


Wolfrom-lsbell Award Symposium C. F. Brewer, Organizer J. F. Robyt, Presiding 8:30—1. Thiosugars and levoglucosen-

one—a ehalcone connection: 25 years of new perspectives. Z. J. Witczak

9:15—2. Total synthesis and development of natural products using carbohydrates. K. Tatsuta

9:45—3. Targeting DNA: Modular approach using structure-based design and combinatorial libraries. W. Priebe

10:15—Intermission. 10:30—4. Monovalent and multivalent modu

lators of carbohydrate function. L. L. Kiessling

11:15—5. Sulfotansferases as therapeutic targets. C. R. Bertozzi

11:45—6. Development of an automated oligosaccharide synthesizer. P. H. Seeberger

SUNDAY AFTERNOON Convention Center Room 21-22

• Inosine Monophosphate Dehydrogenase (IMPDH): Perspectives on a Major Therapeutic Target Molecular Biology and Genetics

K. W. Pankiewicz, B. Goldstein, Organizers D. L. Hollenbaugh, Presiding

1:30—Introductory Remarks. 1:40—7. IMPDH and GTP: Linkage with neo

plasia, target of chemotherapy, down regulation of ras, and signal transduction. G. Weber

2:25—8. Biological significance of guanylate synthesis and IMP dehydrogenase iso-forms. Y. Natsumeda

3:10—9. Effects of IMPDH gene targeting on lymphocyte development and function. J. J. Gu, A. Tolin, K. Gathy, B. S. Mitchell

3:55—Intermission. 4:05—10. IMPDH: A regulator of somatic

stem-cell kinetics. J. L. Sherley 4:50—11. Differential splicing of Pneumocys

tis carinii inosine 5'-monophosphate dehydrogenase mRNA. D. Ye, S. F. Queen-er

MONDAY MORNING


Carbohydrate Biochemistry Z. J. Witczak, Organizer R. L. Halcomb, Presiding 9:00—12. Anionic carbohydrate binding via

bifunctional δ-aminoboronic acid ligands. C. W. Gray Jr., T. A. Houston

9:25—13. Design of synthetic receptors for unique cell-surface oligosaccharides. Β. Τ. Walker, T. A. Houston

• Catalysis



• Environmental


Sciences


9:50—14. Modification of the antileishmanial drug pentamidine to target the cell-surface lipophosphoglycan: Toward selective drug delivery. K. L. Kramp, K. Buck, Κ. Μ. Slunt, T. A. Houston

10:15—Intermission. 10:30—15. Motional properties of cc-(1-4)

and a-(1-6) linkages as studied by carbon-13 NMR relaxation and molecular dynamics computer simulations. K. J. Naidoo, R. B. Best, G. E. Jackson

10:55—16. Distribution of octenyl succinate groups in octenyl succinic anhydride-modified waxy maize starch. R. L. Shogren, A. Viswanathan, F. Felker, R. A. Gross

Section Β Convention Center Room 31

• inosine Monophosphate Dehydrogenase (IMPDH): Perspectives on a Major Therapeutic Target Structure, Mechanism, and Inhibitor Design

J. A. Thomson, K. W. Pankiewicz, Presiding 8:30—Introductory Remarks. 8:35—17. IMPDH: Structural determinants of

ligand specificity. B. M. Goldstein, D. Ris-al, M. D. Strickler, G. D. Markham, K. W. Pankiewicz

9:20—18. IMPDH: Mechanism of drug selectivity. L. Hedstrom, J. Digits

10:05—19. Identification of specific inhibitors of IMPDH. F. Collart, E. Huberman

10:50—Intermission. 11:05—20. Discovery of t iazole-4-

carboxamide adenine dinucleotide (TAD) and recent synthetic approaches used in the construction of hydrolytically resistant surrogates. V. E. Marquez

11:50—21. Benzamide riboside, a recent inhibitor of IMPDH. H. N. Jayaram, J. A. Yalowitz, K. Krohn, K. W. Pankiewicz

MONDAY AFTERNOON


Carbohydrate Biochemistry C. F. Brewer, Presiding 1:30—22. Reducing heterogeneity of an ion-

sensitive gelling polysaccharide using salt-temperature fractionation. P. J. Missel, L. E. Stevens, B. G. Kabra

1:55—23. Isothermal titration microcalorime-try studies of multivalent carbohydrate-lectin interactions. C. F. Brewer, T. K. Dam, R. Roy, S. K. Das, S. Oscarson

2:20—24. Dissolution and hydrolysis of cellulose in high-temperature water. M. Sasaki, K. Arai, T. Adschiri

2:45—Intermission. 3:00—25. Production of oligoglucosamine by

simultaneous chitosanase production and hydrolysis of chitosane. P. Cen, L. Xia, M. Wu

3:25—26. Solid-phase synthesis of β(1->6) glucosamine polysaccharides. P. H. Seeberger, L. G. Melean, W. C. Haase


• Inosine Monophosphate Dehydrogenase (IMPDH): Perspectives on a Major Therapeutic Target Design of Inhibitors and Clinical Applications

G. Weber, Y. Natsumeda, Presiding 2:00—Introductory Remarks. 2:05—27. Cofactor analogs as IMPDH inhib

itors: Design and new synthetic approaches. K. W. Pankiewicz, B. Goldstein, Η. Ν. Jayaram

2:50—28. Development of VX-497, a novel nonnucleoside IMPDH inhibitor, as an antiviral agent. S. A. Raybuck

3:35—Intermission. 3:50—29. Mizoribine: Experimental and clin

ical experience. H. Ishikawa, M. Tsuchiya

4:35—30. Biochemically targeted therapy of refractory leukemia and myeloid-blast crisis of chronic granulocytic leukemia with tiazofurin. G. Tricot, G. Weber

5:20—31. Effects of tiazofurin on the blast cells of patients with chronic myelogenous leukemia in blast crisis. D. G. Wright, B. S. Mitchell, M. Boosalis, K. Waraska, K. Malek


Section C Convention Center Exhibit Hall Β

Poster Session Z. J. Witczak, Organizer 2:00-4:00 32. Complete resonance assignment of the

type 19F capsular polysacccharide from Streptococcus pneumoniae. B. Clark, E. Dixon, F. Arnold, J. Maleckar

33. Oligosaccharides as sensitive indicators of sugarcane deterioration. G. Eggleston, B. L. Legendre, C. Richard

34. Application of electrophilic azidation for the synthesis of the 2-azido-2-deoxy derivative of lactose. J. S. D. Kumar, H. R. Herschman, T. Toyokuni

35. Synthesis and antiviral studies of unsaturated isonucleosides. T. Mickle, S. Bera, V. Nair

36. Synthesis of sugar mimics with ring-flipped chair conformations. D. A. Berges, S. Ν. Boyle, D. F. Davenport

37. Glucosyltransferases in Indian Leishma-nia donovani: Key regulators of midgut binding? A. B. Mahoney, S. J. Turco

38. Synthetic methods for α-C-glycosides of mannose: Antiadhesins of Escherichia coil X. Tang, Q. Zhang, T. E. Davis, R. J. Doyle, K. G. Taylor

39. Fully synthetic carbohydrate vaccine for leishmaniasis. M. C. Hewitt, P. H. Seeberger

40. Solid-phase synthesis of Lewis antigens. P. H. Seeberger, R. B. Andrade

41. Synthesis and conformational studies of galactofuranose analogs. J-S. Han, T. L. Lowary

42. Synthesis of C-phosphonate analogs of arabinofuranosyl sugar nucleotides. C. A. Centrone, T. L. Lowary

43. Synthesis, structure, and biophysical properties of 2-thiazolyl and 2-thiazolyl /V-oxide base analogs. T. J. Miller, C. Tallini, A. S. Saurage, H. Farquar, F. R. Fronczek, R. P. Hammer

44. Effect of C-5 substitution on the conformational preferences of the arabinofuranosyl ring. P. R. McCarren, T. L. Lowary

45.2-Naphthylmethyl (NAP) group in synthesis: First total synthesis of GlyCAM-1 carbohydrate structure. J . Xia, K. L. Matta

46. Determination of the thermodynamic parameters associated with the conformational transitions in the gelation mechanism of κ-carrageenan. O. S. Kittipong-patana, R. J. Wigent

47. Exploration of a new route to β-arabino-furanosides. H. Yin, T. L. Lowary

48. Synthesis of orthocarboranes linked to L-fucose: Potential compounds for boron-neutron capture therapy. P. Basak, T. L. Lowary

49. Vibrational spectroscopic studies of isoto-pically labeled glucose derivatives. Z. D. Schultz, T. L. Lowary, T. L. Gustafson

50. Synthesis of Lex-Le* oligosaccharide by a polymer-supported approach. T. Zhu, G-J. Boons

51 . Conformational studies of human milk oligosaccharides using H-H and C-H residual dipolar coupling in NMR spectra of oriented samples. M. Martin-Pastor, C. A. Bush

52. Modified oligosaccharides as inhibitors of mycobacterial arabinosyltransferases. O. M. Ramneantu, T. L. Lowary

53. Novel synthetic approach toward heparin fragments. M. Haller, H. Jiao, G-J. Boons


54. Effect of Fe limitation on LPS and EPS composition in marine cyanobacteria. A. E. Witter, D. Cerminaro, D. Sharbaugh, D. A. Hutchins

TUESDAY MORNING

Section A Convention Center Room 29

• Biochemistry of Polysaccharides J. F. Robyt, Organizer, Presiding

8:30—Introductory Remarks. 8:35—55. Two-step inactivation model of

α-amylase: Effect of salt and sugar concentrations on enzyme stability. A. Khan, D. N. Lecker, V. T. Calabrese, T. G. Hodson

9:05—56. Protein engineering of substrate-binding subsites in amylolytic enzymes. H. Mori, K. S. Bak-Jensen, B. Svensson

9:35—57. Production and characterization of glucanhydrolases from Lipomyces starkeyi and their industrial applications. D. Kim, S-J. Ryu, H-J. Ryu

10:05—Intermission. 10:20—58. Peptidoglycan lytic transglycosy-

lases: Nature's hybrid of lysozyme and chitinase. A. J. Clarke, Ν. Τ. Blackburn

10:50—59. Effects of branch structures on starch polymorphism. J. Jane, H. Katopo, P. Mungara, S. Yoo, C. Perera, K. S. Wong


Synthetic Carbohydrate Chemistry Z. J. Witczak, Organizer P. H. Seeberger, Presiding 8:30—60. C-Linked disaccharide related to

hyaluronic acid (HA): Building blocks for HA oligosaccharide mimetics. D. C. Baker, S. Hamilton, Z*X. Ren, Q. Yang, Κ. Τ. Welch, B. Jiang, K. N. Price, B. Prebyl, A. Akue, C. G. Kaczmarek

8:55—61. Enolization and elimination reactions of aldehydo and keto sugar derivatives. D. Horton, O. Marcq, J. Lee

9:20—62. Synthesis of (+)-siastatin Β and related glycosidase inhibitors. S. Knapp, D. Zhao

9:45—Intermission. 10:00—63. Three component routes to poly-

functional carbohydrate scaffolds. B. Fraser-Reid, L. G. Nair

10:25—64. Synthesis of and conformational studies of glycopeptide mimetics. R. L. Halcomb, J. L. Koviach, J. W. Lane, N. A. Whittemore

10:50—65. Oxidation of sugars with ozone: Ozonization of 13C-labeled D-glucose. O. Marcq, J-M. Barbe, A. Trichet, R. Guilard

TUESDAY AFTERNOON

Section A

Convention Center Room 29

Biochemistry of Polysaccharides G. L. Côté, Presiding

1:00—Introductory Remarks. 1:05—66. Blood glucose responses of hu

mans to ingestion of modified starches with varied amylose: Amylopectin composition. R. L. Sharp

1:35—67. Heparin structure and function. R. J. Linhardt, M. Fath, I. Capila, N. S. Gu-nay, C. Thanawiroon, G. Yu, L. A. LeBrun, M. J. Hernâiz

2:05—68. Aggregation and disaggregation of Aeromonas gum in an aqueous solution under different conditions. L. Zhang, X. Xu

2:35—Intermission. 2:50—69. Moisture retention and antimicrobi

al activity in relation to structure of Λ/,Ο-carboxymethyl chitosan. Y. Du, L. Chen

3:20—70. Streptococcal glucan-binding proteins. R. J. Doyle, S. Luengpailin, J. Lu-engpailin

JULY 24, 2000 C&EN 6 7

CARB/CHED/TECHNICAL PROGRAM


Nucleosides and Nucleotides Z. J. Witczak, Organizer M. Manoharan, Presiding 1:00—71. Cationic and zwitterionic oligonu

cleotides. M. Manoharan, T. P. Prakash, M. A. Maier, A. Puschl, M. Prhavc, A. P. Guzaev, V. Mohan, M. Egli

1:25—72. Correlation of anti-HIV activity with structure: Electrostatic potential surface of nucleosides and their triphosphates. T. Mickle, V. Nair

1:50—73. NMR analysis of conformationally biased anti-HIV and anticancer nucleoside analogs. J. J. Barchi Jr., L. Anderson, M. A. Siddiqui, V. E. Marquez

2:15—Intermission. 2:30—74. Synthesis of oligonucleotides con

taining functionalities for gene-expression quantitation and structure determination by X-ray crystallography. Z. Huang, N. Carrasco

2:55—75. Rhodium-catalyzed regio- and stereoselective chloroalkoxycarbonylation of sugar acetylenes with ethyl chloroformate. S. F. Wnuk, N. X. Valdez, C. A. Valdez, L. A. Bergolla

3:20—76. Synthesis of 3'-C-substituted thymidine derivatives via free-radical techniques. H. C. Lee, K. Chen, Z. No, D. Hor-ton

Biosynthesis, Enzyme Inhibitors and Mimetics, Saccharides, and Lipids cosponsored with Division of Organic Chemistry (see page 114)

WEDNESDAY MORNING Convention Center Room 29

• Biochemistry of Polysaccharides Κ. Β. Hicks, Presiding

8:30—Introductory Remarks. 8:35—77. Phosphomannan Y-2448 mo

noester components: Update on structures and applications in cell biology research. M. E. Slodki

9:05—78. Purification and properties of plant pectin methylesterases and their use in studying pectin structure-functional property relationships. B. J. Savary, A. T. Hotchkiss Jr., M. L. Fishman, R. Cameron, G. Luzio

9:35—Intermission. 9:50—79. Solvent effects on the molecular

properties of pectins. M. L. Fishman, H. K. Chau, F. J. Kolpak, J. E. Brady

10:20—80. Modified gum arabic and guar gum systems as emulsifying and stabilizing agents. F. M. Ward

WEDNESDAY AFTERNOON Convention Center Room 29

* Biochemistry of Polysaccharides R. Doyle, Presiding 1:00—Introductory Remarks. 1:05—81. Inhibition kinetics of glucosyl-

acarviosine-glucose, a novel amylase inhibitor derived from acarbose. M-J. Kim, J-S. Cho, J-W. Kim, K-H. Park

1:35—82. Cyclic products from alternan. G. L Côté, J. A. Ahlgren, P. Biely

2:05—Intermission. 2:20—83. Oligosaccharide synthesis by dex-

transucrase: New oligosaccharide structures and their characteristics. K. Buch-holz, K. Demuth, H. J. Jôrdening

2:50—84. Mechanisms involved in the biosynthesis of polysaccharides. J. F. Robyt

6 8 JULY 24, 2000 C&EN

CHED

DIVISION OF CHEMICAL EDUCATION M. Z. Hoffman, Program Chair


Guidelines for Pregnant Lab Employees (see Division of Chemical Health & Safety, Tue, page 73)

Careers in Chemical Information (see Division of Chemical Information, Mon, page 73)

I Know You're a Technician, What Do You Do? (see Division of Chemical Technicians, Wed, page 75)

Nonlaboratory Careers at the Interface of Chemistry and Law (see Division of Chemistry & the Law, Tue, page 75)

Chemistry in Washington, D.C., 100 Years Ago (see Division of the History of Chemistry, Mon, page 92)

Twentieth-Century Chemistry Before WWII (1901-1939) (see Division of the History of Chemistry, Tue, page 92)

Chemistry in Art Conservation (see Society Committee on Education, Mon, page 58)

Eminent Scientist Lecture (see Society Committee on Education, Mon, page 58)

Gertrude Elion Symposium (see Women Chemists Committee, Tue, page 58)

Ethics in Science (see Younger Chemists Committee, Sun, page 58)

Graduation: What's Next? (see Younger Chemists Committee, Mon, page 59)

YCC Town Meeting with NSF: Celebrating Fifty Years of Funding for Younger Chemists (see Younger Chemists Committee, Mon, page 59)

BUSINESS MEETING: Tue

SOCIAL EVENTS: Social Hour, Sun Luncheon, Mon, Tue Dinner, Sat

SUNDAY MORNING

Section A Renaissance Washington Room 2

• Recent Advances in the Interactions of Metal Complexes with Nucleic Acids and Their Components Intercalation and Novel Drugs

Cosponsored with Division of Inorganic Chemistry

D. P. Rillema, R. P. Singhal, Organizers R. P. Singhal, Presiding

9:00—Introductory Remarks. 9:10—1. Effects of covalent binding of ruthe

nium complexes to nucleic acids. M. J. Clarke

9:40—2. Base- and sequence-dependent binding studies of porphyrins with DNA hairpins. D. R. McMillin, K. E. Thomas, P. Lugo-Ponce

10:10—3. Platinum-DNA interactions: Implications for new drugs. N. P. Farrell


10:50—4. Inhibition of restriction enzyme cleavage of plasmid DNA by aminocobalt-(III) complexes. W. R. Murphy Jr., R. D. Sheardy, A. Snow, M. B. Hicks

11:20—5. M(ll)-Xaa-Xaa-His metallopeptide-nucleic acid interactions. E. C. Long

Section Β Renaissance Washington Room 3

Chemistry in Public Settings M. Weiss, Organizer R. L. Lichter, Presiding 8:30—Introductory Remarks. 8:40—6. What do people really learn in mu

seums? M. Adams 9:10—7. Marvelous molecules: The shared

chemistry of living things. M. Weiss, I. Sul-ston

9:40—8. Chemistry for Life: A European project for the public understanding of chemistry. W. P. Fehlhammer

10:10—Intermission. 10:20—9. ChemMystery: A hands-on chem

istry exhibition. B. Smith 10:50—10. From idea to design: Using eval

uation to design effective museum exhibits. M. J. Sikes

11:20—11. Science-enrichment programs for K-12 students. E. S. Roberts-Kirchhoff

Chemical Information cosponsored with Society Committee on Education (see page 58)

SUNDAY AFTERNOON


* Recent Advances in the Interactions of Metal Complexes with Nucleic Acids and Their Components Kinetics of Binding and Electron Transfer

Cosponsored with Division of Inorganic Chemistry R. P. Singhal, Presiding 2:00—Introductory Remarks. 2:10—12. Electron-transfer reactions of nu-

cleobases and metal complexes. Η. Η. Thorp, V. Szalai, S. Codden, I. Verona, P. Armistead, P. Ropp

2:4fJ—13. DNA electron transfer made less complex. F. D. Lewis

3:10—Intermission. 3:20—14. Kinetics of the irreversible coordi

nation of pentaamineaquocobalt(lll) to DNA. W. R. Murphy Jr., Μ. Β. Hicks, R. D. Sheardy

3:50—15. DNA threading intercalators: Rate constants for intercalation and electron transfer. D. W. Dixon


Historically Important Chemical Educators Cosponsored with Division of the History of Chemistry and Women Chemists Committee C. T. Eagle, Organizer, Presiding 1:00—Introductory Remarks. 1:05—16. Contributions of Ira Remsen to

chemical education. R. H. Goldsmith 1:25—17. Wolcott Gibbs, the other Gibbs. H.

E. Pence 1:45—18. Changing face of science. F. K.

Wood-Black 2:05—19. Mary E. Kapp: Founder of the

VCU Department of Chemistry. S. S. Hun-nicutt

2:25—20. Rachel Littler Bodley: Revolution-izer of medical education for women and mother of the American Chemical Society. C. T. Eagle, J. H. Sloan



2:55—21. African-American educators: Enriching the world with their legacy. R. A. Easley

3:15—22. Margaret Hilda Thacher: A portrait of courage. R. P. Torrey

3:35—23. Agnes Pockels: Forerunner of Langmuir-Blodgett monolayers. J. P. Wightman

3:55—24. Dorothy Crowfoot Hodgkin: Crys-tallographer and professor. Ν. Μ. Rosch-er, L. P. Brown

4:15—25. Comparing the careers of two pioneer women chemical educators. J-M. Whitfield

4:35—26. Mary Lowe Good: Educator extraordinary. Η. Μ. Free


Poster Session D. P. Rillema, Organizer, Presiding 7:30-9:30 27. Thermodynamic expressions for chemi

cal equilibrium using unit concentration standard states. R. J. Hanrahan

28. Chemistry for science teachers. K. W. Woo

29. Promoting young chemistry teachers' development through role playing techniques I. M. Miguez, S. Câceres, A. Rocca, M. Rodriguez Ayan

30. Promoting young chemistry teachers' development through role playing techniques II. S. Loureiro, M. Miguez, M. Rodriguez Ayan, B. Arizaga, X. Otegui

31. Device to make balancing chemical equations easier. . . sort of. D. J. Nelson, C. N. Brammer

32. Student use of Internet-based supplementary materials for general chemistry classes. D. R. Bedgood

33. WWW-based course on using the chemical literature. W. Wilk, G. Wiger

34. Consistent set of oxidation number rules for intelligent computer tutoring. D. A. Holder, B. G. Johnson, P. J. Karol

35. Automated, web-based second-chance homework. R. W. Hall, L. G. Butler, S. Y. McGuire, S. P. McGIynn, G. L. Lyon, R. L. Reese, P. A. Limbach

36. Strengthening conceptual understanding in general chemistry: A five-year assessment. N. Cordero, Y. Vigil, A. Canino

37. Strategies to enhance student performance in organic chemistry. S. R. Carpenter, R. H. Wallace, A. W. Wallace

38. Toward determining conformations of small polar molecules in solution. N. Nev-ins, K. P. Holton

39. Multiple-method approach to spectroscopy instruction. R. H. Wallace, S. R. Carpenter

40. Field/lab studies in biochemical and chemical marine science. S. L. Knock, C. A. Folden

41. Are all Km-Vmax created equal? An intermediate enzyme kinetics problem. T. G. Wood

42. Interactive chemistry lessons for grade school children. A. E. Greenberg

43. Chemistry component of an online environmental studies course for nonmajors. M. Koether

44. Interdisciplinary service-learning involvement in Central Michigan. M. M. Strait, M. C. Borrello, E. C. Lorenz, R. A. Roeper

45. Creating and sharing Mathcad documents: Preparing chemists for the 21st century. T. J. Zielinski

46. Postgraduate education: Learning the relationship between chemistry, compliance, and business. G. L. Reed, A. D. McGill

47. Remembrances of the CHED program at the San Francisco ACS national meeting. M. Z. Hoffman, B. L. Earl

48. Adapting/adopting ConcepTests for use in general chemistry lectures. C. Yau, M. Greenberg, L. Ladon, R. Preisler

49. Portfolio assessment in a large lecture class. D. J. Wink

50. Chemist wanted: A survey of 1999 newspaper chemistry want ads. K. L. Headrick

51. Synthesis and reactivity studies of iron complexes to model the active site of me-talloenzymes: An approach to connect aspects of organic, inorganic, and biochemistry in undergraduate research. B. Hansert

52. Microscale acid-base and spectrometric titrations. E. B. Flint, C. L. Kortz, M. A. Taylor

53. Copper smelting: An introductory chemistry lab. L. Volaric, J. P. Hagen III

54. Online lab tips for the second-semester organic chemistry laboratory course. Ε. Μ. Fujinari, M. Isaac, I. Erden, W. Wu

55. Studying the regioselectivity of epoxide ring openings with GC/MS: An organic lab experiment. E. P. Stevens, J. M. Hicks

56. Creating an undergraduate laboratory experience in advanced organic chemistry. S. T. Hill

57. Molecular dynamics of calcium ion binding loop variants of silver hake parvalbu-min: A novel biophysical computational laboratory. D. J. Nelson, Κ. Μ. Elkins, P. Z. Gatzeva-Topalova

58. Integration of chemistry, biology, and physics: The interdisciplinary laboratory. G. R. Van Hecke, K. K. Karukstis, R. C. Haskell, C. S. McFadden, F. S. Wettack

59. Undergraduate electrochemical experiment in kinetics and mechanism determination. G. N. Holder, L. L. McClure, D. G. Farrar

60. Real-world sampling projects designed for the quantitative chemical analysis course in collaboration with an environmental consultant. C. A. Blaine, D. W. Graham

61. New designs for integrated molecular modeling, synthesis, and characterization experiments for the undergraduate inorganic chemistry laboratory. K. J. Brewer, E. R. Bullock, M. R. Jordan

62. Evaluation of an integrated molecular modeling, synthesis, and characterization experiment for the undergraduate inorganic laboratory. K. J. Brewer, E. R. Bullock

63. Computer applications in the undergraduate physical chemistry laboratory: Molecular spectroscopy and chemical kinetics. C. L Watkins, D. G. Miles Jr.

64. Lead + nitric acid: Yes, but no NOx (an environmentally friendly solution for the problem of lead dissolution in nitric acid). I. Orszagh, G. Bazsa, E. Csajbok

65. Expanding the use of calorimetry in the classroom: Experiments in isothermal heat conduction calorimetry. A. L. Smith, H. M. Shirazi, S. R. Mulligan, L. Wadsô, T. C. Hofelich

66. Molecular orbital calculations to support experimental measurements in physical chemistry lab: Energies of dimer formation for mixed organic solvents. J. Hutchison

67. Molecular weight of milkweed rubber: A physical chemistry lab. J. P. Hagen III, L. Volaric

68. Multifaceted reactions of chlorine oxidants: An inorganic/organic laboratory experiment. E. Grimley, E. E. Gooch, D. Erel

69. Modern NMR: A special topics course for undergraduates. E. E. Gooch, E. Grimley

70. Studying acid rain formation in undergraduate physical chemistry courses. J. M. Standard

71. Microwave-assisted synthesis and structural determination of a diastereomeric mixture of dioxolanones. T. L. Friebe

Chemistry Survival Guide: Learning How To Learn Chemistry cosponsored with Society Committee on Education (see page 58)

A Catalysis



• Environmental

M Materials

if Pharmaceuticals & Life Sciences


MONDAY MORNING

Section A Renaissance Washington Room 8-9

Envisioning the Chemical Sciences: Perspectives from Camille & Henry Dreyfus Foundation Awardees

R. L. Lichter, Organizer, Presiding

8:00—Introductory Remarks. 8:05—72. Brief history of the Camille & Hen

ry Dreyfus Foundation. D. Dinsmoor 8:20—73. Stimulating and maintaining inter

est in the chemical sciences in elementary school students. C. Scaife, P. Scaife

8:50—74. Integrating research and education in chemistry: Every student, every level. J. Fourkas

9:20—75. Graduate and undergraduate student adventures in teaching and learning. A. M. Stacy, E. L. Lewis, R. Bornick, D. Rickey, L. Tien, J. Claesgens, K. Beals

9:50—Intermission. 10:00—76. Connected chemical education

communities: Local and national perspectives. D. J. Wink

10:30—77. Lessons learned from the development of a materials-enriched chemistry curriculum. A. B. Ellis, G. Lisensky

11:00—78. Appealing answer: Online information access by students"; however, what are the questions? R. G. Landolt

11:30—79. Illuminating teaching and learning through information technology: From genesis, through the wilderness, to the promised land. N. J. Turro, L. Fine, B. Venkataraman, N. Chonacky


National Science Foundation Symposium: Instrumentation and Laboratory Improvement (ILI) Program; Course, Curriculum, and Laboratory Improvement (CCLI) Program R. K. Boggess, Organizer, Presiding 8:30—Introductory Remarks. 8:35—80. NSF programs in support of un

dergraduate education. S. H. Hixson, V. M. Bragin, M. L. Druelinger

9:00—81. Incorporation of spectroscopy-based investigational experiments into the chemistry curriculum. C. E. McDonald

9:20—82. Clarifying the concepts of concentration, equilibrium, and speciation through visible spectroscopy. W. H. Otto, C. K. Larive, A. J. Wolfer, S. L. Mason, K. L. Ratzlaff, J. A. Heppert, J. B. Robinson

9:40—83. Fluorescence in the undergraduate curriculum. T. A. Betts, R. C. Mayrhofer

10:00—84. Introduction of optical microscopy into the chemistry curriculum. P. S. Hill, L Rickard, E. Rajaseelan, M. lannone, L Qiu

10:20—Intermission. 10:30—85. Spectroscopic determination of

ternary phase diagrams. Κ. Κ. Karukstis, S. K. Avrantinis, S. L. Boegeman, J. N. Conner, B. M. Hackman, J. M. Lindsay, A. L. Mandel, E. J. Miller

10:50—86. Gas chromatography/mass spectrometry throughout the chemistry curriculum. E. L. Harvey, R. J. Sweeney, M. J. Scanlon, H. N. Baxter III, W. D. Ruoff

11:10—87. When do we get to the electrochemistry? G. N. Holder, L. L. McClure, T. Rollins, T. Ray, E. Blanchard

11:30—88. Improvements in environmental science laboratory. L. J. Medhurst, J. Kelsey

Section C Renaissance Washington Room 2

Laser Experiments in the Undergraduate Teaching Laboratory: Symposium in Honor of Ben DeGraff O. C. Salter, Organizer, Presiding 8:00—Introductory Remarks. 8:05—89. Determination of the heat capaci

ties of liquids with time-resolved thermal lens calorimetry: A more accurate procedure. K. Seidman, A. Payne, D. A. Belcher

8:25—90. Piezo-optic coefficients for binary mixtures of water and miscible alcohols measured by a laser Michelson interferometer. G. R. Van Hecke, J. L. Godwin

8:45—91. Raman spectroscopy in the undergraduate lab: It is possible. K. F. Schrum

9:05—92. Lecture demonstration of Raman spectroscopy. R. W. Schwenz, G. C. Weaver

9:25—93. Second-generation laser experiments in undergraduate laboratories. K. Ravichandran

9:45—94. Laser experiments for the physical chemistry laboratory that emphasize applications to biochemistry and medicine. J. de Paula, V. Walters

10:05—Intermission. 10:15—95. Diode laser experiments in

chemical education. J. E. Whitten 10:35—96. Displacement of the benzene sol

vent molecule from Cr(CO)5(benzene) by piperidine: A laser flash photolysis experiment. A. A. Bengali, S. B. Charlton

10:55—97. Discrimination in the undergraduate laboratory: A Stern-Volmer luminescence quenching experiment probing chiral recognition. J. P. Bolender

11:15—98. Applying He-Ne laser for studying optical rotatory dispersion in a cross-disciplinary lab. M. A. Waxman, J. W. Lane

11:35—99. Catalytic effect of lasers on the physical chemistry laboratories of three small undergraduate institutions. J. J. Howe, D. M. Whisnant, L. S. Lever

MONDAY AFTERNOON


Envisioning the Chemical Sciences: Perspectives from Camille & Henry Dreyfus Foundation Awardees R. L. Lichter, Presiding 1:20—100. Chemistry as a liberal art. J. Ko-

vac 1:50—101. Interpreting chemistry in public

places. M. Weiss 2:20—102. Research as an essential compo

nent of education in chemistry at a principally undergraduate institution. H. O. Leung

2:50—103. CoCSP and QMC: Background and recent developments. W. A. Lester Jr.

3:20—Intermission. 3:30—104. COAChing academic women to

be leaders in the chemical sciences. G. L. Richmond

4:00—105. Teaching undergraduates through research: Challenges and rewards. J. de Paula




National Science Foundation Symposium: Instrumentation and Laboratory Improvement (ILI) Program; Course, Curriculum, and Laboratory Improvement (CCLI) Program R. K. Boggess, Presiding 1:20—Introductory Remarks. 1:25—106. Suite of undergraduate laborato

ries focused on surface and interface science. K. G. Severin, G. J. Blanchard, M. L. Bruening

1:45—107. Tools for a materials characterization project: ICP and HPLC as applied to the analysis of commercial products. J. E. Pemberton, N. R. Armstrong, T. D. Sims

2:05—108. Innovative AA experiments. J. K. Steehler, V. R. Miller

2:25—109. Developing an undergraduate polymer laboratory course centered around DSC and GPC. K. W. McLaughlin

2:45—110. Differential scanning calorimetric study of phospholipid bilayer phase transitions: A biophysical chemistry experiment. S. M. Ohline, M. L Campbell, M. T. Turn-bull, S. J. Kohler

3:05—Intermission. 3:15—111. Two thermal analysis experi

ments for the physical chemistry or materials chemistry laboratory. T. C. DeVore, Β. Η. Augustine

3:35—112. Computing across the chemistry curriculum. W. T. Zemke

3:55—113. Integrating computational chemistry into the biochemistry curriculum. P. H. Draves

4:15—114. Sleuthing with instruments: Student detectives using sophisticated instruments to solve intriguing chemical puzzles. E. R. Acheson, C. M. Josefson

4:35—115. Studio general chemistry at Rensselaer Polytechnic Institute: A laboratory-centered program of study. A. R. Cutler, T. Apple



Successful Minority Student Mentoring, Training, and Research Programs H. B. Silber, Organizer, Presiding 1:30—Introductory Remarks. 1:40—116. Monitoring K-12 minority stu

dents. H. M. Peters, S. B. Peters 2:10—117. NIH bridges programs. H. Silber 2:40—118. Minority graduate research in

ternship program (MGRIP). S. G. Bush, F. O. Ayorinde

3:10—Intermission. 3:20—119. Mentoring in the ACS Scholars

Program: An important component for success. Z. C. Morales-Martinez

3:50—120. Integration of NIH programs at Cal State LA. C. G. Gutierrez


Section D Convention Center Exhibit Hall Β

Undergraduate Research Posters Cosponsored with Society Committee on Education L. Garrison, Organizer, Presiding 2:30-4:30 Analytical Chemistry

121. Chiral separations in normal phase HPLC. C. W. Chu, A. W. Salotto

122. Conformations of NADH in aqueous and methanolic solutions studied by NMR and fluorescence spectroscopy. R. J. Hoobler, P. Conger, R. V. Hull

123. Comparison of poly(p-phenylene vi-nylene) and poly(p-phenylene vinylene) precursor derivatives. J. N. Wilking, Y. Y. Liszewski, G. Arbuckle-Keil

124. Systematic study of the determination of ergosterol in environmental samples. G. Nasuti, E. Heineman, D. DiLella, E. Volker

125. Analysis of furnace filter residues. L. Edwards, K. Gloor, A. VanMeter, D. Taylor

JULY 24, 2000 C&EN 6 9

CHED/TECHNICAL PROGRAM

126. Analysis of lipid distributions in flies after attack by Nasonia vitripennis. A. M. Thomason, K. G. Olsen, D. B. Rivers

127. Anti-inflammatory and analgesic properties from the stems of Eryngium foetidum (shadow benny). E. A. Wolfe, G. A. Sherwood, K. A. Mitchell, M. P. Browne

128. Behavior of fluorescent enzymes entrapped within organically modified silica composites. G. M. Lichner, M. J. Birkhoff, C. M. Ingersoll

129. Chemical techniques for the isolation of elemental carbon from sediments. S. Wid-icus, W. S. Wolbach, B. Nelson

130. Determination of capsaicinoids in red peppers. J. L. Kile, F. A. Senese

131. Determination of heavy-metal concentrations in water and soil samples collected from coal mine discharge and drainage basins sites. M. J. Bowers II, J. M. Crawford

132. DNA hybridization on electrode surfaces. M. Villanueva, K. G. Olsen, A. B. Steel, M. J. Tarlov

133. Electrochemical investigations of cytochrome c in thin organic films. S. Weymer, R. A. Clark

134. Endocrine disruptors in microwaved foods: Detection of plasticizers by GC-MS. N. Desai, M. Koether

135. Chemical analysis of refinery wastewater discharge. M. M. Strait, D. M. Fink-beiner

136. Geochemical monitoring of total petroleum wastewater discharge. S. R. Baker, D. M. Finkbeiner, M. M. Strait

137. Identification and quantitative determination of caffeine, acetaminophen and acetyl salicylic acid in commercial analgesic tablets by LC-MS. C. J. Fenk, Ν. Η. Hickman, D. H. Motry

138. Identifying the binder in ancient Texas rock paintings. M. Pignone, R. Thomas, R. A. Armitage

139. Incidence of toxic metals in lichens and sediments: A transect of the Prince William County, Virginia, Parkway. M. Bailey, F. Powell, D. Taylor

140. Infrared spectral analysis of geoporphy-rins. J. G. Rankin, C. Caflin

141. Investigating 17th-century brick composition. P. Kapur, R. A. Armitage

142. Investigation of in situ FTIR as an in-process control method. T. Ewart, Z. Chen

143. Quantitative analysis of phenolic irritant found in poison ivy using UV-vis spectrophotometry. C. Ranjit, D. R. Sweeney

144. Soil phosphate: A reinvestigation after 20 years of storage. K. Crowley, R. A. Armitage

145. Spectroscopic characterization of the Native American black tea made from Ilex vomitoria and chemical comparison with teas from other cultures. H. M. Fuller, R. J. Arnold, M. K. Murphy

146. Synthesis and electrochemical characterization of ferrocene-labeled polyadenyl-ic acid. N. F. Campbell, Β. Ε. Home, Κ. Μ. Ratliff

Biochemistry

147. Biochemical examinations of the cy-toskeletal associated protein kinesin in the spore and plasmodial stage of the myxo-mycete Stemonitis flavogenita. W. J. Jer-makowicz III, J. T. B. Collins

148. Characterization and structural analysis of RNase MRP. C. Iheagwara, L Lindahl

149. Characterization of the GTPase-associated region (GAR)RNA by electro-spray ionization mass spectrometry. D. Kolejian, D. Fabris

150. Comparision of the methylation analysis of Spondias mombin gum exudate and its degradation products. O. Beltran Ferrer, G. Leon de Pinto, J. M. Igartuburu Chinchilla, M. Martinez Carrizo, F. Rincon Acosta, L. Sanabria

151. Correlation of stability with activity of alkaline phosphatase in Escherichia coll M. E. Rosemiller, N. Hopkins

152. Double cysteine mutations in staphylococcal nuclease: Effects of artificially introduced disulfide bonds on protein structure and stability. A. R. Terry

153. Enterotoxigenic Escherichia coli (ETEC) Type IV pilus longus is environmentally regulated. E. J. Washington, K. Mason, M. Kuehn

154. Gender determination of avian species using molecular markers. S. Wagner, C. Glotzboch, S. G. Widen, S. L. Knock

155. Indian Leishmania donovani proteo-phosphoglycan: Solving the matrix. K. A. Barton, A. B. Mahoney

156. MD simulations of NAD+ coenzyme analogs in the active site of ALDH reveal the impact of chemical substitutions on enzymatic activity. S. S. Cho, A. D. MacKerell Jr., G. Izaguirre, R. Pietruszko

157. Modulators of coproporphyrinogen oxidase activity. M. D. Anderson, M. A. Jones, T. D. Lash

158. Multiple isoforms of Escherichia coli li-poamide dehydrogenase: Wild type and the mutant forms H444Q, C44S, C49S. R. Norcross, N. Hopkins

159. Optimization of bacterial lysis to harvest cloned human coproporphyrinogen oxidase. S. J. Gitter, M. A. Jones, T. D. Lash

160. Protein isolation and characterization of choline acetyltransferase from stinging nettles. T. M. Degler, R. S. Greenberg, B. A. Kroa

161. Role of phospholipase C in apoptosis. N. R. Williams

162. Structure of the nucleocapsid protein of the Moloney murine leukemia virus bound to stem loop D of the ψ-site. Κ. Τ. Wallace

163. Substrate specificity of the human cloned enzyme coproporphyrinogen oxidase. S. Lukic, M. A. Jones, T. D. Lash

164. Using molecular modeling to elucidate steric aspects of the binding of quinones to rat-liver quinone reductase. D. Fisher, B. Patson, C. T. Wigal, O. A. Moe

165. Utilizing HPLC to detect mercury levels in human urine. A. Burns, K. Lyttle, P. K. Kerrigan, B. Kendler

Inorganic Chemistry

166. Analysis of antifreeze properties of synthetic alanine-lysine antifreeze polypeptides. B. T. Op't Holt, A. Wierzbicki

167. Assessment of electron mediators for use in thin-layer electrolysis of heme proteins. S. C. Dorman, C. F. Kenny

168. Base solubility studies of carboxylic acid modified poly(methyl/phenylphospha-zenes). C. H. Walker, J. V. St. John, P. Wisian-Neilson

169. Comparative coordination studies of mercury(ll) and cadmium(ll). M. M. Garland, G. S. Murphy, C. J. Vanden-Bussche, D. C. Bebout, R. J. Butcher

170. Computational study of alkenylrutheni-um hydrosylation catalysts. C. Hallmark, J. W. Seyler, K. A. Ritter

171. Directed synthesis of multimetallocene complexes. C. E. Kroll, W. G. Hollis, P. A. Deck

172. Early versus late transition-metal hydrosylation catalysts. A. Sayyah-Sina, J. W. Seyler, C. E. Mair

173. Effects of ligand symmetry on Hg(ll) coordination. E. V. Bowers, R. L. Monsess, M. M. Garland, D. C. Bebout, R. J. Butcher

174. Electrochemistry studies of cobaltacy-clobutene complexes. A. Andreu, L. Phan, B. T. Donovan-Merkert

175. Exploring the chemistry of iron complexes to model the active site of the enzyme isopenicillin Ν synthase. S. Gwizdala, B. Hansert

176. Fluorous ionic liquids. T. L. Merrigan, J. H. Davis Jr.

177. Heavy-metal cation removal from aqueous solutions by using zirconium phosphate layered materials. G. A. Tejada, A. Y. Mercedes-Camacho, J. Cruz-Suarez

178. Magnetic circular dichroism of cobalt methionine aminopeptidase from E. coli. R. L. Moore, J. A. Larrabee

179. Metallation of thiaporphyrins and dithia-porphyrins. D. R. Sunseri, E. P. Zovinka

180. Palladium and platinum complexes with hydrophilic nitrogen-donor ligands. Ε. Β. Fonger, B. P. Buffin

181. Phosphodiester bond cleavage by copper trisimidazolylphosphine complexes. V. Rahn, W. Lynch

182. Photophysical behavior of quinolinium organic cations within zirconium phosphates layered materials. G. A. Tejada, K. E. Jimenez, E. Soriano, O. Cox

183. Photophysical properties of cuprous di-imine bis-triphenyl phosphine complexes in fluid solution. J. A. O'Callaghan, D. V. Scaltrito, G. J. Meyer

184. Photosynthesis of (dihapto-buckmin-sterfullerene) pentacarbonyl tungsten(O). J. E. Cortes-Figueroa, F. D. Colon, A. Del Toro, L. Rivera

185. Preparation of metallo-organics based on group 8 transition metals and 2,5-dioxy-3,6-bis(pyridinium-1 '-yl)-1,4-benzo-quinone. A. S. Koch, S. J. Hellman

186. Processing of titania aerogels. T. R. Swearingen, T. M. Harris, C. Dewan

187. Prudent move or mobile Chernobyl: Transportation of nuclear waste. C. J. Hsu, C. Consiglio, C. Hein, S. Hewitt, B. Kucner, M. Loh, N. Meenaghan, R. Michaud, S. Murphy, A. Patel, S. Reed, D. Rubin, P. Schwartz, M. Sheer, J. Starr, A. Mignerey, S. Tumey

188. Synthesis and characterization of porphyrin polymers with enhanced electronic communication and dynamics. F. R. Cease, H. Nguyen, A. Pristera, S-W. Yang, W. E. Jones Jr.

189. Synthesis and characterization of the layered perovskite R2Lio.5Nio.5O4 (R = La, Nd) from molten alkali metal hydroxides. T. A. Ostomel

190. Synthesis and electrochemistry studies of bis(oxazoline) complexes of palladium. J. Lang, H. Reed, Β. Τ. Donovan-Merkert

191. Synthesis and reactivity of a new tris-(mercaptoimidazolyl)borate ligand. S. Bakbak, D. Rabinovich

192. Teaching chemistry from the earth to the moon. C. Kennedy, J. G. Goll

193. Chemistry of October sky. B. Craft, J. G. Goll

Organic Chemistry

194. New and efficient route toward the preparation of diazo ketones using cyanuric chloride and diazomethane. M. C. Smith, D. C. Forbes, E. J. Barrett, D. L. Lewis

195. Addition of chiral sulfoniun salts to alk-enes. B. S. Kesler, S. E. Williams

196. Entry into the ring system of longifolene. D. Carrico, S. Anwar, S. Karimi

197. Approaches to syntheses of tetrahy-droisoquinoline and benzazepine systems. L. M. Bradley, B. Pandya, G. J. Javadi, D. A. Hunt

198. Attempted synthesis of tetranaphthyl-and tetramesityl-diboron: Comparison of spectroscopic properties with triarylboron compounds. G. C. Schott Jr., T. J. Weis-mann

199. Carbenium ion rearrangements in the dehydration of selected alcohols. J. H. Pinkerton, M. D. Bezoari

200. Cationic substituent effects on the rate of a Cope rearrangement. R. J. Carra, P. F. Godenschwager, K. L. Hessler, K. M. Morgan, E. N. Hattersley, A. A. Einsmann, C. M. Beck, S. H. Shin, M. B. Kraynyak

201. Computer-aided conformational analysis of LSD. D. S. Soriano, R. J. Ellison

202. Computer-aided pattern recognition of organic infrared spectra. J. Bove, S. Walfish, T. Sosnowski, L. Yung, J. Lundy

203. Effect of acids in the product distribution in the Pinacol rearrangement. P. Svoro-nos, S. Karimi, S. Anwar

204. Effective synthesis of secondary anilines from borane reduction of O-silylated aromatic ketoximes. M. Ortiz-Marciales, R. A. Vega, M. De Jesus

205. Facile deprotection of acetals using bismuth nitrate. R. S. Mohan, M. S. Pulia, L C. Wieland

206. Facile synthesis of unsymmetrical dike-topiperazines. J. J. Hall, D. A. Parrish, L. J. Mathias

207. Highly efficient synthesis of alkoxythio-phenes from γ-ketoesters. V. M. Sonpatki, M. R. Herbert, L. M. Sandvoss, A. J. Seed


208. Implications of the Fries rearrangement of hydroquinone diesters in boron trifluo-ride complexes. R. S. Buzdygon, C. T. Wigal

209. New alternatives for teaching organic chemistry using molecular modeling. I. Montes, M. Garcia

210. New reagents for organic synthesis: Deprotection of oximes using bismuth nitrate. R. S. Mohan, B. A. Nattier

211. NMR studies of substituted cyclic compounds. A. P. Weaver, N. M. Roscher

212. Novel β-lactams containing halogenated aromatic ring. M. F. Rahman, M. I. Konak-lieva

213. Preparation and application of carbohydrate-substituted Wittig reagents. S. Condon, S. Xu, E. Turos

214. Preparation and study of pyridinium-and imidazolium-substituted electron acceptors for charge separation. A. S. Koch, M. J. Evans

215. Preparation of a modified electrode for hydrogénation reactions. C. G. Cihil, M. Fouzi, Β. Τ. Donovan-Merkert

216. Reductive ring opening of 2-methyl-eneoxetanes. M. Durgin, M. Hashemza-deh, A. R. Howell

217. Regioselective alkylations of bromoqui-nones. M. C. Myers, A. N. Fazal, C. T. Wigal

218. Relative stabilities of cis- and frans-1,2-diols in five- and six-membered rings. S. K. Kyere, D. L. Whalen

219. Soil analysis using SPME and GC-MS. T. Pâmer, P. Patimetha, L. Calache, A. Chiricolo, T. Masulaitis

220. Studies on novel β-lactams. E. A. Baker, M. I. Konàklieva

221. Studies toward the syntheses of modified nucleosides as potential antiviral drugs. B. Yoder, M. Thene, S. B. Blunt

222. Study of methyl cyclohexanols. M. N. Rampulla, Ν. Μ. Roscher

223. Synthesis and characterization of alternating rigid-flexible diblock copolymers: A structure versus properties investigation. F. E. Goodson, Z. R. Wagner, T. K. Roe-nigk

224. Synthesis and evaluation of chiral phos-phonamidothionate inhibitors of glutamate carboxypeptidase. C. J. Choy, C. E. Berk-man

225. Synthesis and evaluation of phosphon-amidate β-lactamase inactivators. A. Dastgah, P. T. Paton, C. E. Berkman

226. Synthesis of long-chain-functionalized alkyl quinolines. L. C. DeSesso, W. M. Stalick

227. Synthesis of novel monocyclic β-lactams. A. Amry, M. I. Konaklieva

228. Synthesis of novel nucleoside analogs for the study of DNA structure and function. C. Tallini, T. J. Miller, F. Fronczek, R. P. Hammer

229. Synthesis of photochromic materials. G. Subramaniam, J. Brodhead

230. Synthesis of tropinone derivatives as new versatile substrates for enzymatic reactions. E. Schoffers, J. Zigterman

231. Synthetic studies toward a marine natural product. J. J. Swidorski, S. T. Hill

232. Synthetic studies toward an enzyme inhibitor. J. D. Hicks, S. T. Hill

233. Synthetic studies toward the production of cyclooxygenase inhibitor. N. G. Carman, S. T. Hill

234. Tandem Suzuki coupling-norbomene insertion reactions: A convenient route to di-arylnorbornene derivatives. F. E. Goodson, K. M. Shaulis, B. L Hoskin, J. D. Urgitis

235. Thermoreversible organogels from symmetrical alkyl derivatives of diketopiper-azines. A. M. Cuevas, D. A. Parrish, L. J. Mathias

70 JULY 24, 2000 C&EN

http://R2Lio.5Nio.5O4

Physical Chemistry

236. Syntheses and assembly of semiconducting nanocrystals with conjugated organic polymers. J. L. Major, G. F. Strouse, C. S. Yun

237. Computational study of the energy of propylcyclohexane as a function of torsion angles. M. L. Kasner, C. Bray, M. Yokota

238. Study of self-assembled monolayers on ll l-V semiconductor surfaces using contact-angle measurements. S. E. Koh, W. C. Hughes

239. Modeling strong collisional relaxation in highly excited pyrazine. R. L. Sansom, S. Bonella, D. F. Coker, A. S. Mullin

240. Simulation of a Type II thermal hysteresis protein at the ice/water interface. J. E. Knickelbein, J. D. Madura

241. Stability contributions and strengths of hydrogen bonds in the enolic forms of acetylacetone. K. M. Metz, J. Hutchison

242. Temperature-induced absorption kinetics of 1,r-diethyl-2,2'-dicarbocyanide iodide. A. F. Hallbergson, I. A. Struganova

243. Computational investigation of nitrogen-boron trifluoride donor-acceptor complexes. W. A. Burns, L. A. Thornton Jr.

244. Analysis of the accuracy achieved by Fourier path-integral Monte Carlo ther-modyamic computations in the combustion regime. C. Briscoe, T. Isgro, J. Kirtland, R. Q. Topper

245. Carbon dioxide laser-induced reactions of organic solids. B. D. Anderson, C. Sza-kal, C. John

246. Cosolvent-induced modification of solvation energies. J. Simpler, J. M. Serafin

247. Glass-catalyzed synthesis of zirconium phosphates and phosphonates. G. A. Tejada, C. Parrilla-Villanueva, G. Chiclana-Ocasio

248. Investigation of boundary additives of aluminum and aluminum oxide using density functional calculations. L. C. Kismar-toni, C. J. Harwood

249. Molecular origin of viscosity for aqueous solutions of PVA and borate. K. A. Hill, G. A. Kobussen, A. J. Gallistel, J. Rosenthal, K. W. McLaughlin

250. Theoretical explorations of electron transfer mechanisms in poly(p-phenyl-enevinylene)s. P. T. Downing, G. M. Shalhoub


Sci-Mix M. Z. Hoffman, Organizer, Presiding 8:00-10:00 20, 35, 36, 38, 41, 42, 44, 49-52, 55, 57, 58,

61, 64-66, 69, 71, 89, 91, 94, 95, 117. See previous listings.

271, 288-290, 308, 324, 329, 348. See subsequent listings.

• Catalysis

• Chemistry & Computers # Federal & Private Sector


• Environmental M Materials * Pharmaceuticals & Lite

Sciences


Successful Student Affiliates Chapter Posters

Cosponsored with Society Committee on Education L. Garrison, Organizer, Presiding 8:00-10:00 251. ACS student affiliate program at the

University of Puerto Rico, Rio Piedras campus: Innovative activities and community interaction grants. I. Montes, L. Hernandez

252. Duquesne University innovative activity grant program. T. J. Weismann, Β. Μ. As-head, S. R. Davie, P. A. Forward, E. S. Hampton, J. E. Knickelbein, S. Matta, T. Schuerle, G. C. Schott Jr.

253. Future Generations: A youth outreach program. K. J. Wibby, K. S. Wendling

254. Integration of chemistry in elementary science curriculum. J. Gold, J. Heeter, C. Caflin, C. Fish, M. Schumann, R. Capillo, T. Purtil

255. SMACS: Activities of a new ACS-SA chapter. A. T. Pau, J. Frahm, R. A. Armit-age, A. S. Koch

256. Wonderful, wacky world of the Manhattan College/College of Mount Saint Vincent's ACS Chapter. A. Burns, K. Cola-cioppo, P. K. Kerrigan

TUESDAY MORNING


Chemical Education Applied to World Needs Cosponsored with Division of Industrial & Engineering Chemistry J. E. Boggs, J. J. Lagowski, Organizers J. E. Boggs, Presiding 8:30—Introductory Remarks. 8:35—257. Multinational chemical employ

ment: Educational needs. M. L. Good 9:05—258. International student and teacher

exchange: The European experience. A. K. Smith

9:35—275. Industry expectations: Chemical education for researchers. P. M. Norling, J. A. Kopytowski

10:05—Intermission. 10:15—260. Molecular science: Newcurricu-

lar pathways for world needs. M. Z. Hoffman

10:45—261. Africa: A unique opportunity. P. H. L. Walter

11:15—262. National Security Education Program (NSEP) for international education. E. J. Collier


State of the Art: New Developments in FTIR and FT-Raman Spectroscopy Cosponsored with Division of Physical Chemistry R. A. Palmer, Organizer, Presiding 8:20—Introductory Remarks. 8:25—263. Advances in condensed-phase

FTIR sampling techniques. P. R. Griffiths 9:05—264. Vibrational spectroscopy at solid-

liquid interfaces: Development of new ATR-FTIR methods. J. M. Harris, D. Rivera, P. E. Poston

9:45—Intermission. 9:55—265. EXCEL in (with?) Fourier-

transform infrared spectroscopy. R. Williams, R. H. Wallace, S. Carpenter

10:35—266. Optimizing optics, electronics, and software for biodynamical FTIR. M. S. Braiman, S. V. Shilov, M. S. Hutson

11:15—267. Evolution and state-of-the-art of vibrational circular dichroism. T. B. Freed-man, L. A. Nafie


• New Trends in the Teaching of Biochemistry B. A. Kroa, Organizer, Presiding 9:00—Introductory Remarks. 9:10—268. Biochemistry course with a

research-rich curriculum. B. A. Kroa 9:30—269. Adapting the content of research

articles to advanced undergraduate classes. D. C. Bebout

9:50—270. Biochemists and biochemistry: The human element. N. Hopkins

10:10—Intermission. 10:20—271. Efficient distribution of multime

dia course materials via an intranet. I. A. Maniscalco

10:40—272. Guided discovery of nucleic acids in the classroom. P. H. Draves

11:00—273. Teaching advanced biochemistry through a case-studies approach. J. P. Whitehead

Detection of Explosives: Challenges for Chemists cosponsored with Division of Analytical Chemistry (see page 66)

TUESDAY AFTERNOON


Chemical Education Applied to World Needs Cosponsored with Division of Industrial & Engineering Chemistry J. J. Lagowski, Presiding 2:00—Introductory Remarks. 2:05—274. We are prepared for the 1960s.

J. G. Osteryoung 2:35—259. Preparation for industrial re

search: What is wanted and what is not wanted. E. Wasserman, J. A. Miller, P. M. Norling

3:05—Intermission. 3:15—276. Improving the nation's K-12 sci

ence education: How the federal government can help. S. P. Lockledge

3:45—277. Preparing problem solvers for the chemical industry: The doctor of chemistry (DChem) program. L. A. Melton, J. P. Ferraris, K. J. Balkus Jr., D. E. Hyatt

4:15—Panel Discussion. 5:00—Business Meeting.


State of the Art: New Developments in FTIR and FT-Raman Spectroscopy Cosponsored with Division of Physical Chemistry R. A. Palmer, Presiding 1:20—278. State of the art: New develop

ments in FTIR and FT-Raman spectroscopy. D. B. Chase

2:00—279. Reincarnation of step-scan FTIR spectrometry. C. Manning

2:40—Intermission. 2:50—280. Nanosecond step-scan FTIR

time-resolved spectroscopy. R. A. Palmer, G. D. Smith

3:30—281. FTIR microspectroscopy: Seeing what you analyze. J. A. Reffner

4:10—282. High-fidelity vibrational spectroscopic imaging microscopy: Biological applications. I. W. Levin



Incorporating Everyday Chemistry into the Classroom and the Laboratory D. A. Katz, Organizer, Presiding 1:30—Introductory Remarks. 1:35—283. Issues, activities, and tastings:

Everyday chemistry in the classroom. D. A. Katz

1:55—284. Descriptive carbonate chemistry: Demonstrations and applications. J. J. Fortman

2:15—285. Incorporating field trips into an environmental chemistry course. M. J. Baird

2:35—286. Anytime, anywhere chemistry: Integrating kitchen chemistry with computer simulations to promote learning. D. R. Kimbrough, J. Reeves

2:55—Intermission. 3:05—287. Learning chemistry through a

child's eyes: Writing a story. J. F. Kirby 3:25—288. Magnetic tape: A hands-on

project for middle school students. D. E. Nikles, S. M. Nikles

3:45—289. Titrating consumer products in non-science-majors chemistry laboratory. P. K. Kerrigan, S. E. Rudnick

4:05—290. Pulse oximetry: An application of crystal field theory. Ε. Μ. Mitchell

4:25—291. From economics to drinking water: Revising the laboratory using everyday chemistry. D. A. Katz


WEDNESDAY MORNING


Doctoral Programs in Chemical Education D. Mason, Organizer, Presiding 8:30—Introductory Remarks. 8:50—292. What is research in chemical ed

ucation? W. R. Robinson 9:40—293. Mathematics and science educa

tion doctoral program at UCSD and SDSU. B. A. Sawrey

10:05—Intermission. 10:15—294. Chemistry doctor of arts pro

gram at Middle Tennessee State University. M. V. Stewart, P. C. Kline

10:40—295. History of the doctoral program in chemical education at the University of Montana. M. S. Cracolice

11:05—296. Doctoral programs in chemical education at Iowa State University. T. J. Greenbowe


Laboratory Innovations in General Chemistry C. Stanitski, Organizer J. A. Paradis, Presiding 9:00—Introductory Remarks. 9:05—297. Microscale iodine clock reaction,

demonstration, prelab instruction, and postlab assistance using CD-ROM. P. D. Sattsangi

9:25—298. Problem-based learning in the general chemistry laboratory. D. S. Domin

9:45—299. Using small-scale chemistry for assessing laboratory skills. R. G. Silber-man

10:05—Intermission. 10:15—300. Implementation issues for

inquiry-based laboratory. P. A. Metz 10:35—301. Laboratory training course for

pre-service high school science teachers. J. A. Paradis, A. E. Sweeney

10:55—302. Back to basics in the first-year quantitative analysis laboratory. A. D. Crosby

JULY 24, 2000 C&EN 7 1

CHED/CHAS/CINF/TECHNICAL PROGRAM


Chemistry Teacher and Teaching Assistant: Faculty Retention and Development W. J. F. Hunter, Organizer, Presiding 9:00—Introductory Remarks. 9:05—303. Mentoring graduate students in

side and outside the research laboratory. A. E. Tapper, M. Z. Hoffman

9:30—304. Junior faculty development: Internal mentors, external mentors, and YUMPS. R. Damrauer, D. R. Kimbrough

9:55—Intermission. 10:05—305. Beginning classroom teacher:

Narratives of convictions and constraints. G. M. Bodner, N. Brickhouse

10:30—306. Critical features in beginning chemistry teacher development. W. J. F. Hunter

WEDNESDAY AFTERNOON


Doctoral Programs in Chemical Education D. Mason, Presiding 2:00—307. Developments in chemical edu

cation at Texas Tech University. D. C. Shelly

2:25—308. Three-point approach to a Ph.D. in chemical education. A. M. Sarquis, J. L. Sarquis, D. A. Storer

2:50—309. University of Oklahoma: A Ph.D. in chemistry with an emphasis in chemical education. M. R. Abraham

3:15—Intermission. 3:25—310. Ph.D. in chemical education of

fered through a department of chemistry and biochemistry. R. Hyslop, J. Piquette, L. Jones, H. Heikkinen

3:50—311. Chemical education at the University of Texas, Austin. J. J. Lagowski

4:15—312. Two decades of experience with training Ph.D. chemical educators. G. M. Bodner



Laboratory Innovations in General Chemistry A. J. Pribula, Presiding 2:00—Introductory Remarks. 2:05—313. Green chemistry laboratory for

education and research in sustainable innovation. J. C. Warner

2:25—314. Environmentally benign (green) organic chemistry laboratory curriculum at the University of Oregon. J. E. Hutchison, K. M. Doxsee, S. M. Reed, M. G. Warner, W. B. Wan

2:45—315. Teaching conceptual chemistry with simple experiments. L. D. Hansen, B. J. Wilson, F. R. Nordmeyer

3:05—Intermission. 3:15—316. Guided-inquiry laboratory pro

gram for introductory chemistry. A. J. Pribula, L J. Boucher, J. J. Topping, R. Dixon

3:35—317. Photolithography laboratory experiment for general chemistry students. B. H. Augustine, Τ. Ο DeVore

3:55—318. Student evaluation of technology in the general chemistry lab. M. A. Parker, Ν. Μ. Santagata


* What's the Next Big Step in Using Computers To Teach Chemistry? K. M. Kulinowski, H. E. Pence, Organizers Κ. Μ. Kulinowski, Presiding

1:30—Introductory Remarks. 1:40—319. The next big step in computer-

assisted instruction is the same step we've been taking for decades. T. A. Holme

72 JULY 24, 2000 C&EN

2:05—320. Stepping back before we step forward: Assessment of computer-based learning tools. D. R. Kimbrough

2:30—321. Streaming media support for introductory chemistry courses. A. D. J. Haymet, S. S. Perry, R. Geanangel, G. Michko, G. Johnson

2:55—322. Teaching organic chemistry at the next level. S. A. Fleming, G. R. Hart, P. B. Savage

3:20—Intermission. 3:35—323. Technology instead of a text

book: The next big step? E. J. Simon 4:00—324. Artificial intelligence techniques

for enhancing chemistry education software. B. G. Johnson, D. A. Holder

4:25—325. Helping students acquire acid-base equilibria concepts: Computer simulations, guided-inquiry, discrepant events, and the science writing heuristic. T. J. Greenbowe, J. A. Rudd

THURSDAY MORNING


* What's the Next Big Step in Using Computers To Teach Chemistry? J. A. Paradis, Presiding 8:00—Introductory Remarks. 8:05—326. Use of electronic pre-class quiz

zes to increase student preparation in general and organic chemistry. A. G. King, Y-L. Wong

8:30—327. One more piece to teaching chemistry with computers: Online quizzes. C. W. Bowen

8:55—328. Online quizzes and surveys: Are they useful or a waste of time? C. Bailey

9:20—329. Discovering chemical reactions using quantum mechanics. K. K. Irikura, R. D. Johnson III

9:45—Intermission. 9:55—330. Student use of computational

chemistry to justify proposed drug targets in a medicinal chemistry course: Integrating computational experiments and writing assignments. A. L. Parrill, P. K. Bridson

10:20—331. Computational chemistry and active learning in introductory organic chemistry. S. E. Barrows, T. H. Eberlein

10:45—332. Computers in the Cambridge University organic chemistry courses. J. M. Goodman

11:10—333. Combining commercial and "homemade" software in an organic chemistry special topics course. T. H. Eberlein, S. E. Barrows


General Oral Papers Teaching Techniques

C. H. Bergo, Organizer L G. Hartshorn, Presiding 8:00—334. General chemistry: Techniques

that work. C. H. Bergo 8:20—335. Using group activities to promote

the active learning of chemical concepts in a general chemistry class. L. G. Hartshorn

8:40—336. Incorporating an interdisciplinary approach in sophomore organic chemistry. M. I. Konaklieva

9:00—337. Organic chemistry and supplemental instruction. P. J. Kreke, T. C. Gibbon

9:20—338. Taking responsibility for learning: Shifting the equilibrium toward the student. M. Z. Hoffman, R. S. Umans

9:40—339. Using information technology to rejuvenate general chemistry instruction: An investigation of WebCT usage. P. Charlesworth, C. Vician, A. West

10:00—340. Redi-Notes: An aid to student note-taking. P. Charlesworth, C. Vician

10:20—341. Effects of discussion style on students' understanding of chemical bond energy and thermodynamics. M. A. Teichert, A. M. Stacy

10:40—342. Project chem2000: Planning, building, and using new laboratories. L. Blau, C. Dobin

11:00—343. Transforming chemistry education: Enhanced curriculum for NMR, IR, and other techniques. D. Kernan, G. M. Banik

11:20—344. Building a new community: The chemistry community at WebCT.com. J. A. Caughran, C. H. Atwood

THURSDAY AFTERNOON


* What's the Next Big Step in Using Computers To Teach Chemistry? J. Whitehead, Presiding 1:00—Introductory Remarks. 1:05—345. Teaching at an Internet distance.

D. J. Wink 1:30—346. Applications of dynamic HTML to

presenting chemistry. G. Wiger 1:55—347. Changing general chemistry lec

ture with interactive Web-based course materials. D. E. Mencer

2:20—348. Webscience: Creating an active-learner classroom with WWW technology. R. E. Blake

2:45—Intermission. 2:55—349. Building "fluency" in the language

of chemistry: The WE_LEARN system. J. H. Penn, G. Gozdzik, J. Mali, M. Mas-tromichalis, Z. Rana, P. Rashid, S. Saunders, I. Dar

3:20—350. Dynamic Web pages for introductory organic and biochemistry courses. C. W. Earley

3:45—351. Using computers in organic chemistry instruction. R. H. Wallace, S. R. Carpenter, A. W. Wallace


General Oral Papers Practical Applications

T. Schoolcraft, Presiding 1:00—352. Classification of general chemis

try compounds by science majors. M. Ca-macho

1:20—353. Chemistry and computer science: Collaborative project for middle school girls summer academy. T. A. Schoolcraft, C. N. Muhoro, E. J. Anderson

1:40—354. Novel laboratory experiment utilizing inert atmosphere techniques: The synthesis of bis(diethyldithiocarbamato)-manganese(ll). C. T. Eagle, A. B. Goodman, G. N. Holder, P. E. Hicks, K. P. Shaber

2:00—355. Chemistry of crime: A forensics-based laboratory course for nonscience majors. S. M. Theberge, D. W. King, J. T. Millard, B. Fekete, L. Miller

2:20—356. A century of chemical dynamics traced through the Nobel prizes in chemistry. J. Van Houten

2:40—357. Atomic force microscopy laboratory on metallic surface corrosion. Β. Η. Augustine, A. M. Skolnik, W. C. Hughes

3:00—358. Approximate harmonic oscillator wavefunctions from linear combinations of particle-in-a-box eigenfunctions: A simple 1-D calculation using the variation method. S. K. Dunn

3:20—359. Environmental chem camp for rising sixth, seventh, and eighth graders. D. G. Watson, C. A. Watson

3:40—360. Syntheses and analyses of selected polychlorinated biphenyls by gas-liquid chromatography coupled with electron impact and chemical ionization mass spectrometry: An independent study project for the undergraduate laboratory. A. F. Sky

4:00—361. Tracking fullerene reactivity and chemistry with 3He NMR. A. C. Khong, D. I. Schuster, S. R. Wilson


CHAS

DIVISION OF CHEMICAL HEALTH & SAFETY R. B. Stuart, Program Chair


How Science Informs Policy Decisions (see Division of Chemistry & The Law, Mon, page 75)

Nonlaboratory Careers at the Interface of Chemistry and Law (see Division of Chemistry & The Law, Tue, page 75)

Scientific Uncertainty and Risk Management (see Division of Environmental Chemistry, Sun, page 83)

SOCIAL EVENTS: Dinner, Mon Luncheon, Mon Social Hour, Mon BUSINESS MEETINGS: Tue

MONDAY MORNING Renaissance Washington Room 4

Safety Management and Regulations R. Stuart, Organizer, Presiding 8:30—1. Environmental management sys

tems: Lessons for the safety manager. T. Balf

9:00—2. Management systems and laboratories: Is there a fit? R. B. Stuart

9:30—3. Challenges of an EPA chemical safety audit. D. M. Einolf, L. K. Menghini

10:00—Intermission. 10:15—4. Web-based safety plans for re

search labs. J. M. Kapin 10:45—5. Six (or seven) habits of highly ef

fective lab inspectors: An imprecise overview of one university's program. S. Waw-zyniecki

11:15—6. Future of the chemical hygiene officer. T. Shelley

11:45—Discussion.

MONDAY AFTERNOON Renaissance Washington Room 4

2000 CHAS Awards Symposium: Emergency Response in Labs R. Stuart, Organizer R. W. Phifer, Presiding 1:30—7. Safe experimentation in biomedical

research. W. E. Barkley 2:00—8. Laboratory hoods, quo vadis? Past,

present, and future. D. Walters 2:30—9. Progress in health and safety. L.

Doemeny 3:00—Intermission. 3:15—10. Research building loss of power:

What happens when the lights go out? V. J. Wood, P. Holden, P. Nadeau

3:45—11. Risk assessment tool for chemical spill response. N. Langerman


Sci-Mix R. B. Stuart, Organizer 8:00-10:00 12. Progress of studies of aluminum intoxica

tion in the pathology of Alzheimer's disease, Parkinson's disease, dialysis encephalopathy, bone disease, and anemia. S. Bi, F. Zhang, G. Zou

http://WebCT.com

TUESDAY MORNING Renaissance Washington Room 4

Guidelines for Pregnant Lab Employees Cosponsored with Women Chemists Committee and Younger Chemists Committee K. P. Fivizzani, Organizer, Presiding 8:30—13. Essential elements for occupation

al reproductive health programs. R. J. Emery

8:50—14. Experiences and management of pregnant radiation workers at the Pacific Northwest National Laboratory. M. Bliss, S. M. Bowyer, J. L. Bryant, T. R. W. Clauss, K. L. Wahl

9:10—15. Best practices for pregnant lab employees at Bayer Corp. A. S. Hinkle

9:30—16. Covance Laboratories' policy on occupational exposure to reproductive hazards. K. K. Capwell, D. L. Lumby, L. H. Crean

9:50—Intermission. 10:10—17. Accommodating pregnant labora

tory employees. K. P. Fivizzani 10:30—18. Lactation support program at the

Pacific Northwest National Laboratory. G. K. Patello, M. Bliss, J. L. Bryant, M. S. Lipton, L. R. O'Neil

10:50—19. Children in labs: Institutional approaches. R. Stuart

11:10—Discussion.

TUESDAY AFTERNOON Renaissance Washington Room 4

American Conference of Governmental Industrial Hygienists Chemical Substances TLV Committee Cosponsored with American Conference of Government Industrial Hygienists and Chemical Society of Washington R. B. Stuart, Organizer E. Weisburger, Presiding 1:30—20. History and background of the

threshold limit value (TLV) committee of ACGIH. E. Weisburger

2:00—21. Document preparation and TLV level setting. G. Kennedy

2:30—Intermission. 2:40—22. Harmonization of carcinogenicity

classifications. R. Spirtas 3:10—23. Interpretation and use of threshold

limit values by industrial hygienists. P. Bigelow


THURSDAY MORNING Renaissance Washington Room 4

Is Active or Passive Smoking Linked to Breast Cancer? D. G. H. Miller, Organizer, Presiding 9:00—24. Can active or passive smoking

cause breast cancer? D. G. H. Miller 9:30—25. Relationship of cigarette smoking

to risk of breast cancer. L. A. Brinton 10:00—26. Breast cancer and tobacco

smoke: Do simple studies mask a complex association? Or do complex studies mask a simple (null) association? T. L. Lash

• Catalysis



• Environmental

H Materials if Pharmaceuticals & Life

Sciences


10:30—27. Epidemiologic evidence between active smoking and breast cancer. K. Egan


THURSDAY AFTERNOON • Federal Chemical and Toxicological Information Resources cosponsored with Division of Chemical Information (see page 74)

CINF

DIVISION OF CHEMICAL INFORMATION A. H. Berks, Program Chair


Global Issues of Intellectual Property Affecting the Chemical, Biotechnology, and Pharmaceutical Industries (see Division of Chemistry & the Law. Sun, page 75)

Computational ADME (see Division of Computers in Chemistry. Mon, Wed. page 81)

SOCIAL EVENTS: Social Hour, Sun, Tue Luncheon, Tue BUSINESS MEETING: Mon

SUNDAY MORNING

Section A Grand Hyatt Washington Franklin Square

* Virtual High-Throughput Screening Receptor-Based Approaches

Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry O. F. Guner, Organizer M. Waldman, Presiding 8:25—Introductory Remarks. 8:30—1. Progress toward a protein-ligand

scoring function for fast docking. M. Waldman, P. Kirchoff, J. Jiang, C. M. Venkata-chalam

9:00—2. Computational geometry analysis of protein-ligand complexes. A. Tropsha, J. Feng

9:30—3. Putting the horse before the cart: Analysis and optimization of structure-based virtual screening protocols. A. C. Good, D. L. Cheney, W. E. Harte, Y. Li, S. R. Krystek, D. A. Bassolino, J. S. Tokar-ski, T. R. Stouch, Y. Sun, M. E. Davis, D. Loughney, J. S. Mason, D. F. Sitkoff

10:00—4. Effect of protein model accuracy on virtual high-throughput screening experiments. M. Milik, L. Yan, K. Olszewski, A. Badretdinov, S. Szalma

10:30—5. Structure-based design of inhibitors for matriptase. I. J. Enyedy, S-L. Lee, C-Y. Lin, R. B. Dickson, S. Wang

11:00—6. Virtual high-throughput screening: Coarse-grain parallelization applied to ligand-receptor docking of large data sets. J. Leonard, M. Cline

Section Β Grand Hyatt Washington Constitution Ballroom A

* Copyright in the Digital Environment: Current Issues and Future Changes Cosponsored with Division of Chemistry & The Law B. Lawlor, Organizer D. Lide, Presiding 8:55—Introductory Remarks. 9:00—7. Introduction to copyright law for the

chemical information professional. P. A. Cicala

9:30—8. Database protection in the United States and abroad. D. Duncan

10:00—9. Tap dancing on the quicksand: Cautionary copyright tales from academe. F. B. Culp

10:30—10. Why copyright still matters in the web millennium. R. D. Bovenschulte, R. J. Massie

11:00—11. Recent developments in copyright law regarding the use of electronic information. R. Goslins

11:30—12. Extenuating circumstances: Intellectual property and the politics of information. D. Kaser

SUNDAY AFTERNOON

Section A Grand Hyatt Washington Franklin Square

• Virtual High-Throughput Screening Receptor-Based Approaches

Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry O. F. Guner, Presiding 1:25—Introductory Remarks. 1:30—13. Investigation of in silico versus in

vitro high-throughput screening for hit identification. L. Whitehead, P. Gedeck, T. J. Howe

2:00—14. Fast, novel method of docking li-gands to protein active sites. C. M. Ven-katachalam, J. Jiang, T. Oldfield, M. Waldman

2:30—15. Rapid combinatorial docking of chemical libraries. D. R. Lowis, S. Burkett, M. Snow, J. Bikker

3:00—16. Receptor-based virtual screening of very large chemical data sets. C. A. Baxter, J. Li, C. W. Murray, T. D. J. Perkins, R. A. Sykes, B. Waszkowycz

3:30—17. Design of combinatorial libraries for the rapid lead optimization of glucagon antagonists. S. Shi, A. Kuki, A. L. Ling, A. Ling, M. Plewe, J. Gonzalez

Section Β Grand Hyatt Washington Constitution Ballroom A

Use of Toxicological Information in Drug Design R. W. Snyder, Organizer

1:00—18. Computational toxicology and virtual development in drug design. D. E. Johnson, G. H. I. Wolfgang

1:30—19. Keynote Address. Application of toxicology databases in drug development. J. F. Contrera, E. J. Matthews

2:00—20. Paradigm shift from traditional to virtual. S. K. Durham

2:30—21. Application of computational toxicology (ComTox) and multicase (MCASE) software to the FDA mission. E. J. Matthews, J. F. Contrera

3:00—22. Data mining of toxic chemicals and database-based toxicity prediction. J. Wang, L. Lai

3:30—23. In silico toxicology screening of estrogenic compounds as potential therapeutic agents. W. J. Welsh


MONDAY MORNING

Section A Grand Hyatt Washington Constitution Ballroom A

Through (Clients) Thick and Thin: Challenges in Implementing Chemical Information A. B. Twiss-Brooks, Organizer 8:25—Introductory Remarks. 8:30—24. Working effectively in a global or

ganization: Using technology to support customers. J. L. Witiak, T. H. Pierce

9:00—25. Marketing client databases: Opportunities for networking and instruction. L. R. Solla

9:30—26. Finding chemical information in the Pfizer research environment: SciFind-er. P. J. Scott

10:00—27. Catalyzing access to chemical information. G. S. Porter, D. Taylor

10:30—28. Developing the management of SciFinder within a global organization. J. L. Johnson Philipsen, M. Hanno, J-G. Rouchon, B. Viratelle, J. Liggett, P. Kubi-ak, W. T. Turner

11:00—29. Dehorning the client/server dilemma. F. B. Culp, S. Yu

11:30—Discussion.

Section Β Grand Hyatt Washington Lafayette Park

Careers in Chemical Information Cosponsored with Younger Chemists Committee B. Slutsky, Organizer 8:55—Introductory Remarks. 9:00—30. Academic choice. P. E. O'Neill 9:30—31. Horizontal thinkers wanted: Chem

ical information science from the industrial perspective. S. Boyle

10:00—32. Chemical informatics careers at NIST: Reliable data for chemistry. J. Rumble Jr.

10:30—33. Nontraditional careers in chemistry at the American Chemical Society. L. R. Garson, R. L. Swann

11:00—34. Career opportunities at CAS. K. C. Toplek, D. J. Jones, D. Near

MONDAY AFTERNOON


Through (Clients) Thick and Thin: Challenges in Implementing Chemical Information A. B. Twiss-Brooks, Organizer 1:00—Introductory Remarks. 1:05—35. Developing and implementing a

formulations and chemistry decision support system. M. J. Doyle

1:35—36. Garbage in -^ results out: Name normalization in ChemFinder.com searching. L. J. Culot Jr., N. Yan

2:05—37. Merging disparate chemical information sources. L. J. Culot Jr., I. Schrei-man

2:35—38. ACS Library and Information Center: Evolving from a collection to a service. S. P. Baykoucheva

3:05—39. Chemistry 2000: The first 2000 days. J. M. Goodman

3:35—Discussion. 4:05—Business Meetings.

Section Β Grand Hyatt Washington Lafayette Park

Careers in Chemical Information Cosponsored with Younger Chemists Committee B. Slutsky, Organizer 1:25—40. Careers in patents. B. Burg 1:55—41. Making the transition from special

to academic librarianship. P. Barnett 2:25—42. Unstructured career in chemical

information. C. W. McFarland 2:55—43. Options for a chemist in the infor

mation field. R. K. Ward 3:25—Panel Discussion.

JULY 24, 2000 C&EN 73

http://ChemFinder.com

CINF/TECH/CHAL/TECHNICAL PROGRAM


Sci-Mix A. H. Berks, Organizer 8:00-10:00 44. "Leadlessly" leading the way: Wireless

science. B. A. Vickery 45. Construction and application of molecular

equivalence numbers. Y-J. Xu, M. Johnson

46. Undergraduate assignments in Beilstein and Gmelin CrossFire. A. D. Bolek

47. Wahoo! A corporate portal. M. Moulton, V. Balabhadra, D. Einhorn, S. Hortner, K. Tatarowicz

48. Publishing scientific data for electronic books: Challenges and opportunities. G. Dalton

TUESDAY MORNING Grand Hyatt Washington Constitution Ballroom A

* Virtual High-Throughput Screening ADME Property-Based Screening

Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry O. F. Guner, Presiding 8:55—Introductory Remarks. 9:00—49. Integrated approach to in silico

screening. J. L Durant Jr., D. R. Henry, M. Bronzetti, D. A. Evans

9:30—50. Informatics challenges in data management, high-throughput screening, and development of predictive models of ADME properties. P. Gund, J. Cohen, W. J. Egan, O. F. Giiner, K. McMillan

10:00—51. Virtual high-throughput screening based on bioactivity data-mining of CAS databases. W. Fisanick, G. S. Ethiraj, R. J. Schenck, Q. Yuan

10:30—52. Using molecular structure to assess permeability. S. R. Johnson, F. Lin, H. Cheng, S. Hung, J. Saunders, W. Zheng, G. L. Seibel

11:00—53. Web-based computational tool for combinatorial library design that simultaneously optimizes multiple properties. W. Zheng, S. T. Hung, J. T. Saunders, S. R. Johnson, G. L Seibel

Section Β Grand Hyatt Washington Constitution Ballroom Β

Skolnik Award Symposium: The Future of Chemical Information S. Heller, G. W. A. Milne, Organizers 8:50—Introductory Remarks. 9:00—54. 3-D pharmacophore fingerprints

for virtual screening, library design, and profiling. J. S. Mason, B. R. Beno, D. L Cheney, S. J. Cho, A. C. Good

9:40—55. Art of plotting structures and their data. W. D. Ihlenfeldt

10:20—56. Harness the power of computer in drug discovery and design. S. Wang

11:00—57. Large chemical databases on the web: Enhanced CACTVS browser of the open NCI database. M. C. Nicklaus, F. Oellien, W-D. Ihlenfeldt

TUESDAY AFTERNOON Grand Hyatt Washington Constitution Ballroom A

Skolnik Award Symposium: The Future of Chemical Information S. Heller, G. W. A. Milne, Organizers 2:00—Introductory Remarks. 2:10—58. Chemical publication: A critical

evaluation. S. Bachrach 2:50—59. NIST mass spectral database

through the ages. J. K. Klassen 3:30—89. Wireless access to chemical infor

mation. B. A. Vickery 4:10—90. Data banks, bases, and formats:

Past, present, and future—The good, the bad, and the ugly. A. N. Davies

WEDNESDAY MORNING Grand Hyatt Washington Constitution Ballroom A

* Virtual High-Throughput Screening Novel Approaches

Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry M. Waldman, Presiding 8:55—Introductory Remarks. 9:00—60. Widely applicable set of 21/a D de

scriptors. P. La Bute 9 :30—61. Novel method of building

regression-tree models for QSAR based on artificial ants. S. Izrailev, D. K. Agrafi-otis

10:00—62. High-throughput screening of virtual combinatorial libraries with neural networks. V. S. Lobanov

10:30—63. Molecular docking: A pharmacophore approach. Β. Ε. Thomas IV, D. Joseph-McCarthy, M. Belmarsh, D. Moustakas, J. C. Alvarez

11:00—64. Classification of biological binding sites for large-scale virtual screening of combinatorial libraries and design of general purpose organic scaffolds. J. R. Arnold, M. L. Lamb, S. C-H. Pegg, K. W. Burdick, S. Toba, T. A. Robertson, R. K. Guy, I. D. Kuntz

WEDNESDAY AFTERNOON


* Patent Information Sources: Old and New Cosponsored with Division of Chemistry & the Law and Patent Information Users Group E. Simmons, Organizer 1:20—Introductory Remarks. 1:30—65. Comparison of Marpat and

merged Markush service. A. H. Berks 2:00—66. Using technical databases with mi

nority patent coverage to enhance retrieval. S. R. Adams

2:30—67. Paterra instant MT machine translations of Japanese patents. A. K. Engel

3:00—68. New possibilities for linking across patent documents using XML and XLink. J. M. Mattes, A. Barth

3:30—69. Impact of patents in CAS databases. K. G. Stanley, T. Ebe, J. Williams

4:00—70. Chemical patent information from Derwent: But not directly from DWPI. J. D. Myers Sr.

4:30—71. Retrieving gene sequence information from patent publications. R. Stuike-Prill, A. Petersen

Section Β Grand Hyatt Washington Independence Ballroom A

• • Legal and Regulatory Aspects of Electronic Record and Electronic Notebook Systems Used in Scientific R&D Cosponsored with Division of Chemistry & the Law R. Lysakowski, Organizer 1:00—72. Electronic records and notebooks

used in R&D: Key requirements and initiatives. R. Lysakowski

1:30—73. Confronting the Rosetta problem: Long-term access to authentic electronic records. K. Thibodeau

2:00—74. Electronic record keeping: The challenges of imposing standards by regulation. D. Schwarz

2:30—75. FIRM on electronic records management. C. Brock

3:00—76. U.S. Patent & Trademark Office's initiatives on electronic records for intellectual property. A. Purcell

3:30—77. Auditing framework to substantiate electronic record-keeping practices. G. M. Brilis

4:00—78. Roundtable discussion focused on legal and regulatory questions and answers. R. Lysakowski

THURSDAY MORNING Grand Hyatt Washington Constitution Ballroom A

• Federal Chemical and Toxicological Information Resources Cosponsored with Division of Agricultural & Food Chemistry, Division of Chemical Health & Safety, and Division of Environmental Chemistry R. Brinkhuis, Organizer 8:25—Introductory Remarks. 8:30—79. Panel Discussion. The U.S. high-

production-volume chemical voluntary challenge program. R. Brinkhuis

9:30—80. Consumer labeling initiative. J. Alter, A. Breedlove, M. Dominiak

10:00—81. Priority-based assessment of food additives: A toxicological database. M. LaVecchia

10:30—82. Chemical and environmental health information at the National Library of Medicine. G. F. Hazard Jr., V. W. Hudson, P. M. Liwanag

11:00—83. Panel Discussion. Chemical accident risks: Balancing the public's right-to-know against misuse of accidental release scenario data. C. Matthiessen

THURSDAY AFTERNOON Grand Hyatt Washington Constitution Ballroom A

• Federal Chemical and Toxicological Information Resources Cosponsored with Division of Agricultural & Food Chemistry, Division of Chemical Health & Safety, and Division of Environmental Chemistry R. Brinkhuis, Organizer 1:00—84. DOT'S Office of Hazardous Mate

rials Safety website. J. Albright 1:30—85. Importance of spatial accuracy for

chemical information management. G. M. Brilis


2:00—86. Beyond pounds: RSEI—a new tool that incorporates toxicity and exposure in screening-level estimates of risk. N. W. Bouwes Sr., R. E. Engler, S. M. Hassur, T. Lehman, E. J. Fechner-Levy, B. Firlie, S. Keane

General Session A. H. Berks, Organizer 2:30—87. 3-D structural database of small

molecules from traditional Chinese medicine and its use in drug discovery. S. Wang, L. Shao, S. Sakamuri, Z. Hu

3:00—88. Identification, orientation, and naming of SRUs. E. Wilks, M. Wang

TECH

DIVISION OF CHEMICAL TECHNICIANS D. M. Butterfield, Program Chair

SOCIAL EVENTS: Dinner, Sun BUSINESS MEETING: Mon


General Chemistry C. Yembrick, Organizer 8:30—Introductory Remarks. 8:35—1. Integrating general chemistry con

cepts into a contextual laboratory curriculum for chemical technicians. K. D. Hughes, C. L. White, R. Hofstader

9:00—2. FDA and European regulatory practice: Status quo or convergence? J. C. Kelly

9:25—Intermission. 9:35—3. Preparation of a glovebox for cast

ing plutonium enriched with Pu-238. R. Ronquillo

10:00—4. I can talk to anyone: Basic presentation skills for technicians. H. W. Peters III

10:25—Intermission. 10:35—5. Someone moved my cheese. A.

M. Cacia 11:15—Concluding Remarks.

MONDAY AFTERNOON Convention Center Room 23-24



Sci-Mix C. Yembrick, Organizer 8:00-10:00 6. TECHnicians make it happen! M. Meyer,

G. R. Baker, V. M. Mautino 7. See subsequent listing. 8. Waste minimization through electrolytic

decontamination of gloveboxes. J. L. Lugo

9. What is a TAG? E. McLean, D. R. Cobb, D. M. Butterfield, T. Schank

74 JULY 24, 2000 C&EN

TUESDAY AFTERNOON


Chemical Separations

M. J. Miller, Organizer

1:30—Introductory Remarks. 1:35—10. Temperature-programmed

packed-capillary liquid chromatography. R. Trônes, T. Anderson, P. Molander, T. Greibrokk

2:15—11. Membrane introduction mass spectroscopy: An overview of system components and variables. L. A. Poison, M. L. Stone, G. L. Gresham

2:40—Intermission. 2:55—12. Designing and building a new sep

arations lab. M. Y. Nehme 3:20—13. Separation of Ni(ll) from aqueous

solution by adsorption onto activated carbon. K. Kadirvelu, V. Subburam, S. Rajeswari, K. Thamaraiselvi

3:45—14. Time-lag determination and permeability measurement on a series of trisubstituted phosphazene polymers. C. J. Orme, F. F. Stewart, M. L. Stone

4:10—Intermission. 15. Withdrawn. 4:25—7. GC technology for QA laboratories.

Ε. Β. Poole 4:50—16. Using prepacked carbon cartridg

es to reduce loose media handling. T. C. Williams, P. Rahn



Poster Session Chemical Separations

M. J. Miller, Organizer 1:30-3:30 17. Retention thermodynamics of alkylben-

zenes in nonaqueous reversed-phase liquid chromatography. J. C. Ford, J. Ko, J. R. Chilenski

WEDNESDAY MORNING Renaissance Washington Room 15

I Know You're a Technician, What Do You Do? J. L. Lugo, Organizer 8:30—Introductory Remarks. 8:35—18. Weighing the pros and cons of

switching careers from technician to chemist. J. M. Smith

9:00—19. From chem tech to chemist: Out of the frying pan, into the fire. T. M. Leaym

9:25—20. Wearing many hats: A comparison between a technologist's job responsibilities in different departments within the same company. A. L. Betz

9:50—Intermission. 10:00—21. My evolution from domestic engi

neer to polymer technician. P. Wilson 10:25—22. Keeping the wheels on a

product-testing process. W. J. Mallory 10:50—Intermission. 11:00—23. Learning to adapt in my "techni

cal field of dreams." J. R. Urbina

• Catalysis



• Environmental M Materials if Pharmaceuticals & Life

Sciences


11:25—24. What does a technician do? J. H. Mcllhenny Jr.


CHAL

DIVISION OF CHEMISTRY & THE LAW M. Katz, Program Chair

SOCIAL EVENT: Reception, Sun BUSINESS MEETING: Mon

SUNDAY MORNING Convention Center Room 27

* Global Issues of Intellectual Property Affecting the Chemical, Biotechnology, and Pharmaceutical Industries Cosponsored with Committee on Science, Committee on Corporation Associates, Committee on Patent & Related Matters, and Women Chemists Committee P. Barkan, Organizer, Presiding 8:45—Introductory Remarks. M. Katz, P.

Barkan, D. H. Busch 9:00—1. Global strategies for enforcement of

chemical, biotechnical, and pharmaceutical patents. F. Porcelli

9:35—2. How are the patent decisions of foreign patent offices and foreign courts accepted? A cross-border enforcement challenge to harmonization. M. D. Kaminski

10:10—3. Divvying up the genome: The race to patent the blueprint of life. J. K. Fraser

10:45—Intermission. 11:00—4. Intellectual property issues in glo

bal technology transfer and licensing. R. A. Dabek

11:35—5. Protecting your investment: Patent issues for the chemical, biotechnology, and pharmaceutical industries. Q. T. Dickinson

Copyright in the Digital Environment: Current Issues and Future Changes cosponsored with Division of Chemical Information (see page 73)

SUNDAY AFTERNOON


* Global Issues of Intellectual Property Affecting the Chemical, Biotechnology, and Pharmaceutical Industries Cosponsored with Committee on Science, Committee on Corporation Associates, Committee on Patent & Related Matters, and Women Chemists Committee P. Barkan, Presiding 1:45—6. Trends and issues in international

intellectual property: An industry view. B. A. Yorke

2:20—7. Judicial structures for international litigation of intellectual property disputes. P. Newman

2:55—8. Protection of patent and nonpatent marketing exclusivity for pharmaceutical products: A growing international concern. J. B. Deal

3:30—9. Thinking outside "your" box: How the biotech, chemical, and pharmaceutical industries can get the most out of their Internet/e-commerce efforts through intellectual property. R. J. Follett

4:05—Discussion.


Molecular Medicine in the 21st Century D. Robertson, Organizer, Presiding 1:30—Introductory Remarks. 1:40—10. Molecular medicine: A view of the

future. P. O'Rourke 2:05—11. Impact of molecular medicine on

drug development. D. L. Rudenko 2:30—Intermission. 2:40—12. Pharmacogenomics. R. Seide 3:05—13. Regulation of in vitro diagnostics.

R. Savol 3:30—14. Future of gene-chip technology. J.

Fidanza

MONDAY MORNING


Current Trends and New Directions in Patents J. A. Lindeman, Organizer, Presiding 9:00—15. Understanding patents: Effect of

disclosure on the scope and value of a patent. W. R. Johnson

9:45—16. Patent protection in the field of chemistry and biotechnology: A comparison between the United States and Europe. G. Leissler-Gerstl

10:30—Intermission. 10:40—17. Drafting a patent application:

Moving an invention off the laboratory bench. L A. Kilyk

11:25—18. Dealing with obviousness issues in chemical inventions while still conducting efficient research and development. J. G. Ackerman


How Science Informs Policy Decisions D. Robertson, D. L. Rudenko, Organizers, Presiding 8:30—Introductory Remarks. 8:45—19. How does the legal community de

fine an adverse effect? N. L. Bryson 9:10—20. Using science in regulatory deci

sions: Is risk analysis a science? J. Wilson

9:35—21. How EPA incorporates science into decision-making. W. Farland

10:00—Intermission. 10:15—22. An observer's view of science in

U.S. regulatory agencies. M. Powell 10:40—23. Role of science in legislative

decision-making. D. Robertson 11:05—24. Risk assessment in the court

room. J. V. Rodricks 11:30—25. Industry views on science in

decision-making. D. Clarke 11:55—26. Proactive science-based policy

development for an industry. S. Baker

MONDAY AFTERNOON Convention Center Room 27

Current Trends and New Directions in Patents J. A. Lindeman, Presiding 1:30—27. Exxon v. Lubrizol: A case study in

recent developments in chemical patent practice law. M. A. Murphy

2:15—28. Patent consideration for product commercialization. Ε. Μ. Harriman

3:00—Intermission. 3:10—29. Emerging technology and new de

velopment: U.S. patent law. Q. T. Dickinson

3:55—30. Patent litigation: What is it and why is it? D. R. Lipson


TUESDAY MORNING


Nonlaboratory Careers at the Interface of Chemistry and Law A. Robertson, Organizer, Presiding 8:20—Introductory Remarks. 8:30—31. Corporate patent practice: An ex

citing alternative. R. A. Dabek 9:00—32. Practicing patent law in a private

law firm. A. R. Kipnes 9:30—33. Invent your career at the U.S.

Patent & Trademark Office. M. M. Parr 10:00—Intermission. 10:10—34. Chemistry as the foundation for a

regulatory career in drug development. B. A. Charpentier

10:40—35. Career opportunities for chemists at FDA's Center for Drug Evaluation & Research. E. B. Sheinin

11:10—36. U.S. Department of Agriculture: Nonlaboratory career opportunities for chemists. N. N. Ragsdale


Implementation of the American Inventors Protection Act Cosponsored with Committee on Patents & Related Matters A. Ehrlich, Presiding

10:00—Panel Discussion. R. Stoll, A. Ehrlich

TUESDAY AFTERNOON Convention Center Room 32

Nonlaboratory Careers at the Interface of Chemistry and Law A. Robertson, Organizer, Presiding 1:20—Introductory Remarks. 1:30—37. Chemist in a regulatory agency. A.

M. Ehrlich 2:00—38. Environmental careers and the

law. R. W. Phifer 2:30—39. Chemical health and safety ca

reers in a corporate setting. D. G. Schmidt

3:00—Intermission. 3:10—40. From regulated to regulator: Views

from both sides of the table. D. R. Parker 3:40—41. Tort litigation: A litigator with

chemistry background. J. C. Carver 4:10—42. Consulting: An ideal career for

(some) technical professionals. G. E. Dol-bear


Expert Witness Issues in Technical Trials M. De Cheke, C. B. Meyer, Organizers, Presiding 8:30—Introductory Remarks. 8:40—43. Effective presentation of science

in litigation: A view from the trenches. C. B. Meyer

9:10—44. Revisiting the Woburn toxic waste trial. M. De Cheke

9:40—45. Issues of evidence in the Woburn trial. G. F. Pinder

10:10—Intermission. 10:20—46. Problems of chemical identifica

tion of toxic waste in the Woburn trial. M. De Cheke

10:50—47. Scientific fact, legal facts: What can or cannot the expert witness do? M. De Cheke

11:20^-Discussion.

WEDNESDAY AFTERNOON * Patent Information Sources: Old and New cosponsored with Division of Chemical Information (see page 74)

* • Legal and Regulatory Aspects of Electronic Record and Electronic Notebook Systems Used in Scientific R&D cosponsored with Division of Chemical Information (see page 74)

JULY 24, 2000 C&EN 75

CHAL/COLL/TECHNICAL PROGRAM

THURSDAY MORNING Convention Center Room 32

Who Wants To Be a Millionaire? Getting Value for Your IP L. Koppel, Organizer, Presiding

9:30—Introductory Remarks. 9:35—48. IP management lifeline: Poll the

audience. A. W. Carter 10:15—49. Valuation lifeline: 50/50. M. R.

Ick 10:55—50. Litigation lifeline: Call a friend. L.

M. Koppel 11:35—Concluding Remarks.

COLL

DIVISION OF COLLOID & SURFACE CHEMISTRY R. Nagarajan, Program Chair

Scanning Probe Microscopy of Polymers: The Next Generation (see Division of Polymer Chemistry, Sun, Mon, Tue. page 125)

Coatings for Transportation (see Division of Polymeric Materials: Science & Engineering, Mon, Tue, Wed, page 133)

Organic Thin Rims for Photonic Applications (see Division of Polymeric Materials: Science & Engineering, Sun, Mon, Tue, Wed, page 132)

Molecular Recognition and Serf-Assembly (see Division of Organic Chemistry, Wed, page 115)

SOCIAL EVENTS: Social Hour, Mon Division Luncheon, Tue BUSINESS MEETING: Mon

SUNDAY MORNING

Section A JW Marriott Grand Salon IV

M Microemulsions: Properties and Applications E. W. Kaler, P. Kumar, Organizers P. Kumar, Presiding

9:00—1. Microemulsion processing of nano-structured materials. J. Y. Ying

9:40—2. Microemulsions as models. H. Wennerstrom

10:20—Intermission. 10:30—3. Synthesis of pH-degradable non-

ionic surfactants and their applications in microemulsions and micelles. M. A. Iyer, D. G. Hayes, J. M. Harris

10:50—4. Thermodynamics of three-component nonionic microemulsion systems. R. Nagarajan

11:25—5. Dielectric relaxation in microemulsions at and below percolation. J. Texter, Y. Alexandrov, Y. Feldman

Section Β JW Marriott Rayburn

Microbial Biofilm Formation Fundamental Phenomena

M. Malmsten, P. Stewart, Organizers P. Stewart, Presiding 9:00—Introductory Remarks. 9:10—6. On again, off again: Biofilm devel

opment in Pseudomonas aeruginosa. G. A. OToole

9:35—7. Polymer dynamics of a naturally occurring exopolymer (biofilm) and their interfacial interactions. H. H. Paradies, P. Quitschau, T. Scheldt

10:00—8. Cell-surface interaction forces and attachment kinetics to investigate extracellular capsule as a bacterial adhesion mechanism. J. L. Prince, R. B. Dickinson

10:25—Intermission. 10:45—9. Microelectrode study of biofilms at

different stages of biofilm formation. J. Li, P. L Bishop

11:10—10. Penetration of antimicrobial agents into biofilms. P. Stewart

11:35—11. Surface coatings of biodegradable poly(ethylene oxide)-poly(lactide) copolymers: Properties and function. M. Malmsten

Section C

JW Marriott Longworth

Surfactants, Polymers, and Colloids in the Aquatic Environment Fundamentals, Surfaces, and Biological Systems

M. Borkovec, M. Elimelech, Organizers M. Borkovec, Presiding

8:00—12. Keynote Address. Bacterial transport and adhesion to surfaces in aqueous systems. R. M. Ford

8:40—13. Random sequential adsorption as a model of surface deposition. V. Privman

9:00—14. Particle deposition dynamics in a bed of spherical collectors: Beyond random sequential adsorption. S. Bhatta-charjee, M. Elimelech

9:20—15. Reflectometry: A versatile tool to probe adsorption of particles and polymers to interfaces. G. J. M. Koper

9:40—16. Humic acid adsorption and de-sorption. L. K. Koopal, M. J. Avena

10:00—Intermission. 10:20—17. Structure and interactions of

electrical double layers: Beyond Poisson-Boltzmann. R. Kjellander

10:40—18. Direct evidence of lateral migration of mineral colloids adsorbed at a solid-water interface. O. Spalla, S. Des-set, A. Thill

11:00—19. Probing details of polymer-induced forces in polymer/colloid systems. R. Rajagopalan, J. Jimenez, J. de Joan-nis, I. Bitsanis

11:20—20. Keynote Address. Morphological role of aquatic biopolymers in aggregation of colloids. J. Buffle, Κ. Wilkinson, Κ. Starchev, S. Stoll

Section D JW Marriott Cannon

Computer Simulation in Electrochemistry Electron and Ion Transfer

M. L. Berkowitz, P. A. Rikvold, Organizers D. J. Henderson, Presiding

9:00—21. Mechanistic analysis of electron transfer kinetics: The role of theory and computation. M. D. Newton

9:30—22. Proton-coupled electron transfer reactions in solution. S. Hammes-Schiffer

10:00—23. Theory and simulation of electron transfer across the electrode-electrolyte interface. G. A. Voth

10:30—24. Computer simulation studies of ion transport across a liquid-liquid interface. L. X. Dang

11:00—25. Simulation of an adiabatic electron-transfer reaction. W. Schmickler

11:30—26. Structure, dynamics, and spectroscopy of an excess proton in liquid water. D. Borgis, R. Vuilleumier

SUNDAY AFTERNOON


M Microemulsions: Properties and Applications J. Texter, Presiding 2:00—27. Thermosetting emulsion, micro

emulsion, and mixed micellar systems as drug delivery vehicles for periodontal anesthesia. M. Malmsten, M. Scherlund, A. Brodin

2:40—28. Lipid microemulsions in drug solubilization and delivery. P. P. Constantinides

3:20—Intermission. 3:30—29. Micro in macro multiple emulsions.

R. P. Bagwe, D. O. Shah


3:50—30. Development of a model to account for the reactants and products of benzyl acetate hydrolysis in a multiphasic system. H. Almoazen, A. P. Simonelli

4:25—31. Synthesis of polystyrene microla-texes by a modified microemulsion polymerization process using a polymerizable nonionic surfactant. X. Xu, K. S. Siow, L. M. Gan, M. K. Wong


Η Microbial Biofilm Formation Surface Chemistry and Bacterial Adhesion

P. Stewart, Presiding

2:00—Introductory Remarks. 2:10—32. Retention of bacteria on a substra

tum surface with micropatterned hydro-phobicity. H. J. Busscher, R. Bos, H. C. van der Mei, J. Gold

2:35—33. Effect of ion-penetrability of bacteria on their adhesion. A. T. Poortinga, R. Bos, H. J. Busscher

3:00—34. Effect of polymeric membrane surface properties on formation of biofilm fouling. M. Pasmore, P. Todd, C. N. Bowman

3:25—Intermission. 3:45—35. Mucin as surface protectant against

bacterial adhesion. T. Sandberg, M. Nestor, C. Pâhlson, L. Shi, K. D. Caldwell

4:10—36. Surface hydrophobicity in microbial adhesion. R. Oliveira

Section C


• Surfactants, Polymers, and Colloids in the Aquatic Environment Aggregation of Surfactants, Particles, and their Interactions with Pollutants

M. Elimelech, Presiding

1:30—37. Keynote Address. Fractal coagulation processes. Β. Ε. Logan

2:10—38. Metal ion size distributions in freshwaters: How much do we really know? M. Filella, R. M. Town

2:30—39. Copper sorption and its effects on flocculation of oxide colloids: Equilibria and rates. K. Subramaniam, S. Yiacoumi, C. Tsouris

2:50—40. Interactions and degradation of polycyclic aromatic hydrocarbons in perfluo-rinated surfactants. E. R. Carraway, M. A. Schlautman

3:10—41. Biodégradation of PAH from coal tar: Effect of surfactants. S. J. Grimberg, S. C. Kenney

3:30—Intermission. 3:50—42. Effect of colloid release on perme

ability reduction in a zeolite porous medium. J. Ryan, D. Abadzic

4:10—43. Colloid transport in fractured rock: Comparison of polystyrene and silica microspheres. I. Anghel, P. W. Reimus

4:30—44. Extended tailing of bacterial breakthrough at the Narrow Channel Focus Area, Oyster, Va. P. Zhang, W. P. Johnson

4:50—45. Keynote Address. Remediation of soils and aquifers with surfactants. J. H. Harwell, D. A. Sabatini, R. C. Knox

Section D

JW Marriott Cannon

• Computer Simulation in Electrochemistry Structure of Fluids and Solid-Fluid Interfaces

W. Schmickler, Presiding

2:00—46. Simulation of liquid-liquid interfaces and ion transfer. J. A. N. F. Gomes, P. A. Fernandes, M. N. D. S. Cordeiro

2:30—47. Anomalies in the electrochemical interface of an electrolyte containing strongly coupled ions. D. J. Henderson

3:00—48. Effective charges of particles in electrolyte solutions. R. Kjellander

3:30—49. Ab initio simulation of metal clusters in electrolyte. M. R. Philpott, S. Iz-vekov, T. T. Lin


Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan (see Division of Environmental Chemistry, Mon, Tue, Wed, Thu, page 85)

Membrane Separation Processes in Aquatic Systems (see Division of Environmental Chemistry, Sun, Mon, page 84)

Sequestration of Organic Solutes in Natural Organic Matter and Mineral Aggregates (see Division of Environmental Chemistry, Sun, Mon, page 83)

Catalysis and Plasma Technology (see Catalysis & Surface Science Secretariat, Sun, page 59)

Catalysis Development Through Active Site and Surface Science Theories (see Catalysis & Surface Science Secretariat, Mon, Tue, page 59)

Functional Nanostmctures (see Division of Industrial & Engineering Chemistry, Sun, Mon, Tue, page 93)

Advanced Materials and Nanotechnology (see Division of Industrial & Engineering Chemistry, Wed, Thu, page 94)

Neutron Scattering (see Division of Physical Chemistry, Sun. Mon, page 118)

Condensed Phase and Interfaces (see Division of Physical Chemistry, Wed, page 122)

Materials, Macromolecules, and Nanoscience (see Division of Physical Chemistry, Wed, page 123)

Joint PMSE/POLY Poster Session (see Division of Polymer Chemistry, Tue, page 129)

7G JULY 24, 2000 C&EN

MONDAY MORNING


H Microemulsions: Properties and Applications E. W. Kaler, Presiding 9:00—50. Strategy for the formation of an

AOT microemulsion in C0 2 using a fluori-nated cosurfactant. J. L. Fulton

9:35—51. Efficiency boosting by amphiphilic block copolymers in microemulsions. R. Strey

10:10—52. Phase behavior and microstructure of silicone oil microemulsions. J. A. Silas, E. W. Kaler, R. M. Hill

10:30—Intermission. 10:40—53. Transformations from microemul

sions to organogels and organohydrogels: Fundamental characterization and applications to templated materials synthesis. B. Simmons, V. John, N. Balsara, A. Bose, F. Landis, R. Moore

11:20—54. Structure and dynamics of AOT/ nonionic cosurfactant microemulsions. L M. M. Nazario, J. P. S. G. Crespo, J. F. Holzwarth, T. A. Hatton


Interfacial Adhesion and Molecular Composites C. D. Eisenbach, R. J. Kumpf, Organizers, Presiding 9:00—Introductory Remarks. Characterization

of interfacial interactions. C. D. Eisenbach 9:05—55. Structural characterization of ad

hesive joints. M. Stamm, C. Lorenz-Haas, R. Schnell, C. Creton

9:25—56. Probing intermolecular forces and potentials with magnetic feedback chemical force microscopy. P. D. Ashby, L. Chen, C. M. Lieber

9:45—57. Using depth scan profiling and photoacoustic spectroscopy to characterize conducting polymer bilayers. E. L. Hanson, G. A. Arbuckle-Keil

10:05—Intermission. 10:15—Introductory Remarks. Nanoparticle

and intercalated composites. R. Kumpf 10:20—58. Nanoparticle composites as opti

cal hard coatings on plastics and glasses. H. Schmidt

10:40—59. Clay-based nanocomposite formation with and without the presence of a solvent and swelling agent. Y. Li, H. Ishida

11:00—60. Morphology of polyamide nano-composites characterized by transmission electron microscopy (TEM) and electron spectroscopic imaging (ESI). W. Heck-mann, F. Ramsteiner, C. Mehler

11:20—61. Chain stiffness in delamination of clay structure in epoxy nanocomposite. S. K. Ahuja, R. B. McGriff

• Catalysis



• Environmental M Materials * Pharmaceuticals & Life

Sciences


Section C JW Marriott Longworth

• Surfactants, Polymers, and Colloids in the Aquatic Environment Synthetic Polymers and Surfactants for Environmental Applications

R. Rajagopalan, Presiding 8:00—62. Self-assembled block copolymer

systems: Properties and applications. T. A. Hatton

8:40—63. New family of biocompatible and biodegradable block copolymers: Amphiphilic PHA-b-PEO. G-E. Yu, S. Nguyen, F. Ravenelle, R. H. Marchessault

9:00—64. Interactions of anthropogenic polymers and surfactants in the environment: Effects on contaminant mobility. B. Ari-can, S. K. Dentel, D. K. Cha, C. P. Huang

9:20—65. Removal of aromatic contaminants from wastewater by cloud point extraction. P. Trakultamupatam, J. F. Scamehorn, S. Osuwan

9:40—66. Kinetics and mechanism of per-oxidase-catalyzed oxidation of aromatic amines by hydrogen peroxide and sodium perborate in micellar media. L. B. T. S. Lakkaraju, K. C. Rajanna

10:00—Intermission. 10:20—67. Estimation of the effective charge

of sodium poly(acrylate) by osmotic pressure measurements. I. Pochard, J-P. Boisvert, A. Malgat, C. Daneault

10:40—68. Synthesis and characterization of carbohydrosomes: Novel supramolecular structures. G. S. Hird, M. W. Grinstaff

11:00—69. Effects of polyamines on particle aggregation. W. Yu, F. Bouyer, M. Bor-kovec

11:20—70. Keynote Address. Flocculation by polyelectrolytes. J. Gregory


• Computer Simulation in Electrochemistry Pattern Formation and Catalysis

L. Blum, Presiding 9:00—71. Diffusional transport to a surface

in growth of colloids, quantum dots, and sediments. V. Privman

9:30—72. Growth, corrosion, diffusion, and scaling laws in thick layers formed on a metal surface. J. P. Badiali, A. Taleb, J. Stafiej

10:00—73. Morphological evolution during multilayer growth of metal films: Simulation and experiment. J. Evans, C. Stoldt, K. Caspersen, M. Bartelt, T. Layson, P. Thiel

10:30—74. Simulations of submonolayer epitaxy and etching. M. Bartelt

11:00—75. Non-equilibrium phase transitions in catalysis. D. A. Browne

11:30—76. Ab initio approach for electrochemical application. A. Y. Lozovoi, A. Alavi, R. M. Lynden-Bell

MONDAY AFTERNOON


• Metal Oxide Catalysts: Active Sites, Intermediates, and Reaction Mechanisms Catalysis by Model Systems

C. A. Klug, B. M. Weckhuysen, G. Mestl, Organizers C. A. Klug, Presiding 1:30—Introductory Remarks. Β. Μ. Weck

huysen, G. Mestl, C. A. Klug 1:40—77. Site selectivity reactions on thin-

film metal oxides. C. M. Friend, Κ. Τ. Queeney, F. Nart, L. Deiner

2:30—78. Effects of oxygen point defects on the kinetics and mechanism of formic acid decomposition on TiO2(110). R. J. Madix, X-C. Guo, Q-G. Wang

3:00—79. STM studies of metal and oxide nanoclusters on Ti02(110) and Fe3O4(001). J. Haber, N. Spiridis, J. Korecki

3:30—Intermission. 3:40—80. Importance of high-pressure,

surface-sensitive in situ methods: A study of ammonia oxidation over copper with in situ NEXAFS in the soft X-ray range. R. W. Mayer, M. Hâvecker, A. Knop-Gericke, L. Gang, B. G. Anderson, R. A. van Sant-en, R. Schlôgl

4:05—81. Six-atom gold cluster deposition on titania. C. C. Chusuei, X. Lai, K. A. Davis, E. K. Bowers, D. W. Goodman, M. A. Omary, M. A. Rawashdeh-Omary, J. P. Fackler, P. S. Bagus

4:30—82. Structurally ordered magnesium vanadate model catalysts for oxidative de-hydrogenation. A. G. Sault, J. E. Mudd, J. A. Ruffner, J. E. Miller

4:55—83. TPD and HREELS studies of model supported vanadia catalysts. J. M. Vohs, G. S. Wong


Interfacial Adhesion and Molecular Composites D. Saatweber, H. Ishida, Presiding 2:00—Introductory Remarks. Nanoparticle and

intercalated composites. D. Saatweber 2:05—84. Formation of gold colloids using

thioether derivatives as stabilizing ligands. X. Li, J. Huskens, D. N. Reinhoudt

2:25—85. Doping level effects on morphology and surface properties of metals in radially layered copoly(amidoamine-organo-silicon) (PAMAMOS) dendrimers. L. W. Hoffman, C. S. McMillan, M. J. Owen, P. R. Dvornic, S. D. Reeves

2:45—86. Unique structural and mechanical properties of dendrimer/gold ultrathin composite films. S. C. Street, A. Rar, J. N. Zhou, W. J. Liu, A. Bennett, J. B. Barnard

3:05—87. Facile assembly of zeolite monolayers on glass, silica, and alumina by employing 3-halopropylsilyl reagents as cova-lent linkers. K. B. Yoon, K. Ha, Y-J. Lee, H. J. Lee

3:25—Intermission. 3:35—Introductory Remarks. Nanofiber/mole-

cular composites. H. Ishida 3:40—88. Multicomponent nanostructured fi

bers and tubes. J. H. Wendorff, W. Czado, A. Greiner, M. Steinhart

4:00—89. Preparation of a novel molecular composite from aluminum silicate nanofi-bers and organic polymers. A. Takahara, K. Yamamoto, T. Kajiyama, S. Wada

4:20—90. Macromolecular rod-coil ionomer composites. C. D. Eisenbach, A. Datko, D. Winter


• Computer Simulation in Electrochemistry Models of Adsorption

J. P. Badiali, Presiding 2:00—91. Modeling of 2-D water-sulfate co-

adsorption on well-defined Me(111) electrodes. J. M. Orts, L Blum, D. Huckaby, J. M. Feliu, A. Aldaz

2:30—92. Applications of a statistical mechanical model for underpotential deposition. D. A. Huckaby, M. D. Legault, L. Blum

3:00—93. Water-sulfate coadsorption on noble electrode metal surfaces. L. Blum, J. M. Orts, D. A. Huckaby, M. D. Legault

3:30—94. New results for Cu and sulfate UPD on Au(111). G. Brown, P. A. Rikvold, S. J. Mitchell


4:00—95. Electrode potential dependent electrosorption valency of (bi)sulfate adsorbed on a Pt(111) electrode. A. Wiec-kowski, A. Kolics

MONDAY EVENING Grand Hyatt Independence Ballroom A


Poster Session Fundamentals of Colloid and Surface Chemistry

A. P. Gast, Organizer, Presiding 6:00-8:00

Surfactants, Polymers, and Colloids in the Aquatic Environment

96. Chromatographic alteration of humic acid during transport through sediments. G. Bao, W. P. Johnson

97. Evaluation of the mass action expression coefficients for multidentate complexation on mineral surfaces. G. D. Redden, R. A. LaViolette

98. Interaction of humic substances with cat-ionic polyelectrolytes. J. Gregory, S-K. Kam

99. Intramolecular cross-linking of polyvinyl alcohol and boric acid. F. B. Hasan

100. NMR studies of micelle formation of humic substances. W. H. Otto, C. Larive, D. J. Britten

Metal Oxide Catalysts

101. Solid-state NMR study of supported vanadium oxide catalysts. C. A. Klug, M. Zhou, X. Gao, I. E. Wachs

102. Activation of η-butane by sulfated zirco-nia catalysts. H. Papp, M. Standke

103. Aero-sol-gel amorphous titania-silica mixed oxides for catalysis of olefin epoxi-dation. J. Chen, D. Kohls, G. Beaucage

104. Alumina promotion of sulfated zirconia for /7-butane isomerization: Impact on surface intermediates. S. Y. Kim, J. G. Goodwin Jr., R. Olindo, F. Pinna

105. Artificial control of metal oxide catalysis by thickness-extensional mode resonance oscillation of acoustic wave. Y. Inoue, N. Saito, M. Sakamoto, H. Nishiyama, K. Sato

106. In situ Raman spectroscopy of supported transition-metal oxide catalysts: 1 802 -1 6 0 2 Isotopic labeling studies. Β. Μ. Weckhuysen, J. M. Jehng, I. E. Wachs

107. In situ spectroscopy of the formation of microporous transition-metal-ion-containing aluminophosphates under hydrothermal conditions. B. M. Weckhuysen, D. Baetens, R. A. Schoonheydt

108. Novel zeolite synthesis approach as a route to improve catalyst performance. N. van der Puil, R. Overbeek, L. Murrell, J. H. Koegler, P. Yeh, Y-F. Chang, A. Khon-sari, F. Dautzenberg

109. Oxidation catalyst based on MCM-22 ship-in-a-bottle complexes. K. J. Balkus Jr., G. Gbery, S. Rahman

110. Structure-activity and selectivity relationships of V-Fe-Cs-0 catalysts in the oxidation of butadiene to furan. B. Kubias, G-U. Wolf, A. Wahab, B. Jacobi, J. Radnik

111. Synthesis, spectroscopy, and catalysis of Cr(acac)3 complexes grafted onto MCM-41 materials: Formation of crystalline polyethylene nanofibers within meso-porous crystalline aluminosilicates. Β. Μ. Weckhuysen, R. R. Ramachandra, R. A. Schoonheydt

112. Theoretical study of the coordination and spectroscopic properties of Cu(ll) in mordenite. A. Delabie, K. Pierloot, M. H. Groothaert, B. M. Weckhuysen, R. A. Schoonheydt

113. Thin-film solid acid alkylation catalysts. Y-F. Chang, R. Overbeek, L. Murrell, A. Khonsari, F. Dautzenberg

114. Vanadium-containing MCM-41 as catalysts for selective oxidation of alcohols with hydrogen peroxide. V. Parvulescu, B-L. Su Sr.

JULY 24, 2000 C&EN 7 7

COLUTECHNICAL PROGRAM

115. Efficient aerobic oxidation of alcohols using a hydroxyapatite-bound ruthenium complex catalyst. K. Yamaguchi, K. Mori, T. Mizugaki, K. Ebitani, K. Kaneda

116. Structural influence on surface reactivity: A comparative study for small-molecule adsorption onto stoichiometric and defective T i0 2 and SrTi03 surfaces. L-Q. Wang, K. F. Ferris, G. S. Herman

Polymer Interfaces

117. Cmc determination of asymmetric poly(4-te/f-butylstyrene)-b-sodium polystyrene sulfonate) in aqueous solution: A fluorescence probe quenching study. J. Yang, Y. Wang, W. K. Nonidez, J. W. Mays

118. Conformational studies of biopolymers using atomic force microscopy. T. A. Camesano, K. J. Wilkinson

119. Determination of molecular structure at polymer interfaces by sum-frequency generation. K. A. Briggman, L. J. Richter, J. C. Stephenson, W. E. Wallace

120. Directing microphase separation by embossing block copolymers on a submicron scale. D. Schmaljohann, B. Griesebock, H. J. Lee, X. Li, C. Ober

121. Dynamic behaviors of poly(y-alkyl, α,ι_-glutamate-b-ethylene oxide), P(a-GEO) in the various states. G. Kim, D. Sohn, Y. C. Myoung, E. R. Kim

SAMS, LB Monolayers, and Thin Films

122. Structure of fluoroionomer thin films: From molecules to a fractal surface. X. Jiao, D. D. Desmarteau, D. Perahia

123. Molecular chandeliers: The creation of dipolar thin films through sequential epoxi-dation and ring-opening reactions. D. M. Radford, M. E. Wright

124. Cluster growth of hydroxyapatite on self-assembled monolayers. C. C. Chusuei, D. W. Goodman, B. J. Tarasev-ich, D. L. Allara, M. J. Van Stipdonk, R. D. English, C. R. Samples, E. A. Schweikert

125. Formation and structure of self-assembled monolayers of A7-octadecyl-trichlorosilane on fumed and colloidal silica. R. Wang, S. L. Wunder

126. Molecular recognition of calix[6]arene at the air-water and solid-liquid interfaces. J-H. Kim, K-H. Lee, J-H. Im

127. Observations of elastic recovery and slippage of domains in Langmuir monolayers under shear. A. T. Ivanova, J. Ignes-Mullol, D. K. Schwartz

128. Photocontrol of liquid motion on azo-benzene monolayers. S-K. Oh, M. Naka-gawa, K. Ichimura

Materials Applications and Nanomaterials

129. Metal film preparation from monolayer-protected cluster precursors. W. P. Wuelf-ing, F. P. Zamborini, F. P. Zamborini, R. W. Murray

130. In situ FTIR and surface plasmon resonance studies of vapor adsorption onto polyelectrolyte multilayer modified, gold surfaces. B. L. Frey, C. R. Evans, T. A. Spurlin

131. Interfacial effects in semifluorinated polymeric liquid crystals. R. Traiphol, H. V. Shah, D. W. Smith Jr., D. Perahia

132. Investigation of nanosize heterogeneities in polymer gels by small-angle neutron scattering. F. Horkay, A-M. Hecht, E. Geissler

133. Nanoscopic posts via block copolymer templates. H-C. Kim, X. Jia, I. Tsai, T. J. McCarthy, T. P. Russell

134. On the glass transition in ultrathin films of homopolymers. M. Chipara

135. Sulfonic acid functionalized water-soluble gold nanoparticles: Acid/base titration and conductivity study. Y-S. Shon, W. P. Wuelfing, R. W. Murray

136. Redox reactions and electrocatalysis at Ag-Au alloy nanoparticle thin films. Y. Lou, M. M. Maye, N. K. Ly, L. B. Israel, C-J. Zhong

137. Study of dynamics in thin films of ion-containing polymers. T. A. Hill, D. Perahia

138. Strategies for optimizing particle-amplified SPR. G. P. Goodrich, M. D. Mu-sick, M. J. Natan, C. D. Keating

139. Binary deposition process for the growth of ultrathin Si02 films. H. Hoffmann, T. Valiant, H. Brunner, J. Kattner, T. Leitner, U. Mayer, G. Friedbacher, G. Schugerl, R. Svagera, M. Ebel

140. Solid-state NMR investigations of molecular assembly in ordered nanoporosi-ties. L-Q. Wang, J. Liu, Y. Shin, Z. Nie, J. H. Chang, G. E. Fryxell, W. D. Samuels, G. J. Exarhos

141. Sol-gel chemistry of methacryloxy- and styryl-functionalized organotrialkoxysi-lanes. M. Minke, D. A. Loy

142. Cystine-PDA derivatives: Versatile molecules in the fabrication of "smart" self-assembling materials. J. Song, Q. Cheng, R. Stevens

143. Formation and adsorption properties of surface-imprinted silicates. M. A. Marko-witz, G. Deng, B. P. Gaber

144. Gold nanoparticles on surfaces. T. Au-letta, F. C. J. M. van Veggel, D. N. Rein-houdt

145. Layer-by-layer assemblies of oligomeric thiophene bearing gantrez. Y. Lee, A. Fac-chetti, T. J. Marks, P. T. Hammond

146. Optical and dynamical properties of bimetallic core-shell nanoparticles. J. H. Hodak, A. Henglein, G. V. Hartland

147. Photonic bandgap properties of 3-D crystalline arrays of colloidal particles. Y. Xia, B. D. Gates, Y. Yin, Y. Lu

148. Polyelectrolyte-encapsulated metal nanoparticles. A. D. Delà Santa, M. C. Goh, J. Guillet

149. Rapid fabrication of patterned functional arrays. H. Fan, Y. Lu, G. P. Lopez, C. J. Brinker

150. Self-assembly of nanoparticles. J. W. Stouwdam, F. C. J. M. van Veggel, D. N. Reinhoudt

151. Silica aerogel processing. T. M. Harris, V. Codner

152. Sol-gel chemistry of 3-isocyanato-propyltriethoxysilane. D. A. Loy, C. Baugher, A. Sanchez, D. A. Schneider, F. Krause

153. Sol-gel chemistry of epoxy-func-tionalized organotrialkoxysilanes. D. A. Loy, D. Gara

154. Structure and textural properties of alumina-zirconia synthesized by the sol-gel method. L. Diaz-Garcia, T. Viveros

155. Synthesis of mixed-phase microporous and mesoporous functional materials. R. H. P. R. Poladi, C. C. Landry

156. Spectral analysis of azo dye aggregation on dendrimer surfaces. K. K. Karuks-tis, W. K. Wong

157. Synthesis and characterization of functionalized poly(A/-isopropylacrylamide)/ acrylic acid polymer filaments. W. D. Hol-liway, L. A. Lyon

158. Influence of silane coupling agent composition on the fiber-matrix interfacial shear strength. E. Feresenbet, D. Ragha-van, G. A. Holmes

Biological Systems

159. Adhesion of Sphingomonas paucimobil-/sto a hydrophilic surface: The importance of exopolymers. J. Azeredo, R. Oliveira

160. Effect of different methods of surface modification of piezoelectric sensors on antigen-antibody binding. M. Hepel, J. Halamek, P. Skladal, S. Williams

161. Electrochemical and spectroscopic investigations of hybrid polyether DNA melts. A. M. Leone, H. H. Thorp

162. Glass-coated, analyte-tagged nanoparticles: A new class of markers for bioas-says. S. P. Mulvaney, M. D. Musick, M. Natan

163. Influence of purification and storage on the surface characteristics of Cryptosporidium parvum oocysts. M. A. Butkus, M. P. Labare, J. T. Bays, D. D. Bowman

164. Interaction of serum albumin with synthetic lung surfactant monolayers at the air-water interface. H. E. Warriner, J. Ding, A. J. Waring, J. A. Zasadzinski

165. Morphology and mechanical properties of model lung surfactants: Implications in lung surfactant design. J. Ding, H. E. Warriner, J. A. Zasadzinski

166. Spectroscopic and spectrophotometric assessments of analytical utilities of metal nanoparticles in biologically relevant systems. F. X. Zhang, J. G. Daras, L. B. Israel, L. Han, Y. Lou, C-J. Zhong

167. Transmembrane lipid biomaterials as colorimetric sensors for bacterial toxins. J. Song, Q. Cheng, R. Stevens

168. 2-D imprinting of myoglobin on polymer-izable liposomes. S. W. Jeong, R. Guzman, D. F. O'Brien

169. Supramolecular assemblies of proteins at the galleries of a-zirconium phosopho-nates: Reversible thermal melting studies. A. Chaudhari, C. V. Kumar

170. Dynamics of a,œ-13,16-dimethylocta-cosanedioate dimethyl ester (C30DME), long-chain bifunctional molecule, at the air-water interface. J. Lee, D. Sohn, S. Kang, H. Kim, S. Jung

Micelles, Microemulsions, and Other Self-Assembled Structures

171. Effect of asymmetry on aggregation of zwitterionic geminis. A. V. Peresypkin, F. M. Menger

172. Electron transport across polymerized vesicle membranes. I. Stanish, L. M. Tender, A. Singh

173. Interactions between photoactive species and micelles in water. T. Tominaga, Y. Nogami, H. Tamaki

174. Kinetics and mechanism of peroxidase-catalyzed oxidation of aromatic amines by hydrogen peroxide and sodium perborate in aqueous buffer and anionic micellar media. S. L. B. T. Lakkaraju, K. C. Rajanna

175. Micellar catalysis of nitric oxide dissociation from diazeniumdiolates. A. B. Cook, K. M. Davies, J. E. Saavedra, J. A. Hrabie

176. Molybdate/peroxide oxidation of mustard in microemulsions. L. R. Procell, G. W. Wagner, Y-C. Yang, C. A. Bunton

177. Phase behavior and partitioning of non-ionic surfactants in surfactant-oil-water systems: Effect of temperature. F. Ysam-bertt, N. Mrquez, J. L. Salager, J. Lachaise, A. Graciaa

178. Spontaneous homo- and hetero-assembly of cylic sugar- and phenylboron-ic acid-based bolaamphiphiles. S. Suda, I. Nakazawa, Y. Okada, K. Yase, M. Masu-da, M. Asai, T. Shimizu

179. Deuterium-NMR studies of nanostruc-tured self-assembling molecules. E. J. Laws, D. L. Gin, J. A. Reimer

Fundamental Research in Surface Science

180. Surface-attached molecular loops. A. L. Vance, T. W. H. van Buuren, T. F. Bau-mann, G. A. Fox

181. Transient study of the excited states dynamics of light-induced intramolecular hydrogen abstraction in 2,5-dibenzoyl-p-xylene. I. N. Ivanov, R. Dabestani, M. A. Meador

182. Electrochemical properties of new binary metal oxide electrodes. G. Valincius, V. Vilker, V. Reipa

183. Fluorescence decay studies of anisotropic rotations of PyButO-probe (chemi-sorbed and physically adsorbed) on the surface of cabosil in solvent-free environment. I. N. Ivanov, R. T. Dabestani, M. Sigman

184. Inertial force in capillary rise of a Newtonian fluid between parallel plates. E. A. O'Rear III, H. J. Barraza, S. Kunapuli

185. Interfacial electron transfer between iron-cyano compounds and T i0 2 . M. Yang, D. W. Thompson, G. J. Meyer


186. Microscale electroosmotic mobility determination using streaming current measurements. J. A. Irvin, E. F. Hasselbrink Jr., M. C. Hunter, W. R. Even Jr.

187. Novel crown-shaped acetated polyoxo-molybdates. C. Lu

188. Potential-dependent orientation of ace-tonitrile at the Pt(111) electrode interface studied with sum-frequency generation. S. Baldelli, G. Mailhot, P. Ross, Y. R. Shen, G. A. Somorjai

189. Reactions of hydrazoic acid (N3H) on gold and ice surfaces characterized using RAIRS and XPS. S. R. Carlo, J. Torres, H. Fairbrother

190. Investigation of the surface chemistry of crown ethers: The adsorption and reaction of 1,4-dioxane on palladium(111). S. Azad, W. T. Tysoe

191. Photodesorption of C02 on Pt(111). R. Zehr, I. Harrison

192. STM investigation of benzene adsorption on Ag(110). K. F. Kelly, J. J. Jackiw, J. I. Pascual, H. Conrad, H-P. Rust, P. S. Weiss

193. Adsorption and reaction of fluorinated fullerenes on silicon. K. F. Kelly, Y. Fujikawa, J. T. Sadowski, E. T. Mickelson, R. H. Hauge, J. L. Margrave, K. S. Nakaya-ma, T. Sakurai

194. Thermo- and photochemistry of methyl iodide on silver-covered titanium ox-ide(110) surface. C. Su, C-C. Chen, J-C. Yeh, J-C. Lin, J-L. Lin

195. Surface-light-induced drift resulting from inelastic scattering. A. D. Streater, M. A. Waxman

196. Novel "wet process" technique based on electrochemical replacement for preparation of fullerene epitaxial adlayers. S. Ue-mura, M. Sakata, M. Kunitake, C. Hiraya-ma

197. Surface organometallic chemistry: The reaction of H-Si(111 ) with dicobalt octacar-bonyl in η-heptane solution. W. G. Klem-perer, J. Lee, S. Yao

198. Reflectance absorption IR spectroscopy and temperature-programmed desorption of H20:HBr thin films of varying stoichiom-etry from <1:1 to 5:1. S. R. Carlo, V. H. Grassian

199. Ultrafast study of 2-D electron solvation by methanol on Ag(111) surface. S. H. Liu, A. D. Miller, K. J. Gaffney, C. B. Harris

200. Ultrahydrophobicity: Control of contact line topography. J. P. Youngblood, T. J. McCarthy

TUESDAY MORNING


A Metal Oxide Catalysts: Active Sites, Intermediates, and Reaction Mechanisms Theoretical Modeling of Catalysts

G. Mestl, Presiding 9:00—201. Microscopic behavior of vanadium

and molybdenum oxide surfaces: Ab initio density functional theory studies on structure, adsorption, and reaction. K. Hermann, R. Druzinic, R. Tokarz, M. Witko

9:50—202. Electronic properties of surface oxygen centers in V-0 and V-O-P systems: Cluster DFT studies. M. Witko, R. Tokarz, A. Haras, J. Haber

10:20—Intermission. 10:35—203. Ab initio cluster modeling of the

spectroscopic properties of transition-metal ions in zeolites. K. Pierloot

11:25—204. Cluster ab initio studies on the C-H activation at the (010)V2O5 surface. M. Witko, R. Tokarz, A. Haras, J. Haber

78 JULY 24, 2000 C&EN

Section B JW Marriott Rayburn

* Organic Films for Recognition, Sensing, and Templating at Biological Interfaces Model Membranes/Cellular Arrays

P. F. Nealey, T. K. Vanderlick, Organizers, Presiding

8:30—Introductory Remarks. 8:40—205. Recent developments in pattern

ing, manipulating, and interrogating supported bilayer membranes. S. G. Boxer, L Kung, J. Hovis, C. Ajo, J. Johnson, D. Olson, G. G. Fuller

9:10—206. Functional surfaces for biorecogni-tion and sensing. F. Hôôk, K. Glasmastar, A. Graneli, S. Petronis, P. Hanarp, J. Gold, D. Sutherland, V. Zhdanov, B. Kasemo

9:40—207. Hybrid bilayer membranes: Fabrication and characterization of biomimetic surfaces for biosensor applications. J. T. Elliott Jr., C. W. Meuse, D. J. Vanderah, V. Silin, A. L. Plant

10:10—208. Mobile phospholipid bilayers supported on a polyion/alkylthiol layer pair. L. Zhang, M. L. Longo, P. Stroeve

10:30—Intermission. 10:40—209. Patterned arrays of cells. R. M.

Crooks, G. Daley, P. Ghosh, B. Kocsis, W. M. Lackowski

11:10—210. Engineering regiospecific bioac-tive surfaces with interpenetrating polymer networks (IPNs) of p(AAm-co-EG). Κ. Ε. Healy

11:40—211. Characterization of microlitho-graphically patterned glass surfaces for directing neuronal cell outgrowth by X-ray photoelectron spectroscopy. Κ. Ε. Schmalenberg, G. Dukovic, D. M. Thompson, Y. Travaly, H. Buettner, K. E. Uhrich


Polymer Interfaces: Adsorption, Self-Assembly, and Blend Interfaces Self-Assembly in Solution, Vesicles, and Biomimetics

D. Gersappe, M. Santore, Organizers M. Santore, Presiding 9:00—212. Polymersomes: Tough vesicles

made from block copolymers. D. A. Hammer, D. E. Discher, F. S. Bates, Β. Μ. Discher, C-M. Lee, H. Bermudez, Y-Y. Won

9:40—213. Self-assembly of diblock amphi-philes in solution and on surfaces. A. Eisenberg

10:20—214. Self-assembly of block polypeptides: Lipidlike behavior from polymeric amphiphiles. D. J. Pochan, T. J. Deming

10:50—215. Self-assembly of lipid A and analogs in solution to colloidal crystals. H. H. Paradies, K. Zimmermann, V. Rusch, P. Quitschau

11:10—216. Self-assembly of block copolymers in the presence of selective solvents. P. Alexandridis

11:50—217. Microstructures in pluronic block copolymer-water-hydrocarbon systems. R. Nagarajan

A Catalysis



• Environmental

H Materials * Pharmaceuticals & Life

Sciences

4» Science & Intellectual Policies

12:10—218. Polymeric vesicles with tunable membrane properties by the addition of surfactant. M. Santore, D. A. Hammer, D. E. Discher, F. S. Bates


• Computer Simulation in Electrochemistry Models of Adsorption

M. L. Berkowitz, Presiding 9:00—219. Monte Carlo simulations of ad

sorption and reactivity at electrode surfaces. M. T. M. Koper

9:30—220. Dynamic Monte Carlo simulations of cyclic voltammograms and surface X-ray scattering intensities for bromine electrosorption on silver. P. A. Rikvold, S. J. Mitchell, G. Brown

10:00—221. Quantum chemical studies of water and hydrated halides on metal surfaces. J. D. Head

10:30—222. Field-dependent chemisorbate bonding at electrodes: Quantum chemical calculations compared with surface vibrational spectroscopy. M. J. Weaver, S. A. Wasileski, M. T. M. Koper

11:00—223. Ab initio cluster calculations for adsorption of aluminum and boron atoms on Si(111). S. Wang, M. W. Radny, P. V. Smith

11:30—224. Theoretical studies of self-assembled organic monolayers/water interfaces as models for electrochemical liquid-liquid interfaces. I. Benjamin

TUESDAY AFTERNOON JW Marriott Grand Salon IV

Langmuir Lectures A. P. Gast, R. Nagarajan, Organizers A. P. Gast, Presiding 2:00—Introductory Remarks. A. P. Gast 2:10—225. Plenary Lecture. Single-

molecule force spectroscopy with AFM-related techniques. H. E. Gaub

3:00—Introductory Remarks. R. Mackay 3:10—226. Plenary Lecture. Colloidal self-

assemblies used as nanoreactors. M. P. Pileni

WEDNESDAY MORNING


A Metal Oxide Catalysts: Active Sites, Intermediates, and Reaction Mechanisms Activation of Alkanes and Alkenes

A. Bruckner, Presiding 8:30—227. Oxidative reactions of alkanes on

supported oxide domains: Structural requirements and reaction pathways. E. Iglesia, K. Chen, M. D. Argyle, S. Xie, A. T. Bell

9:20—228. Study of the origins of selectivity in C4 partial oxidation over a vanadium pyrophosphate catalyst. B. H. Sakakini, Y. H. Taufiq-Yap, K. C. Waugh

9:50—229. Oxidative dehydrogenation of propane over VMgO catalysts. L. Laate, E. A. Blekkan

10:20—Intermission. 10:35—230. Isotopic tracer studies of oxida

tive dehydrogenation pathways on Mo-based catalysts. K. Chen, A. Bell, E. Iglesia

11:05—231. Spectroscopic characterization of low-level alkali doping on molybdate catalysts in the oxidative dehydrogenation of lower alkanes. U. S. Ozkan, R. B. Watson

11:35—232. Performances and behavior of Mo8023 in the selective oxidation of isobutene. E. M. Gaigneaux, M. J. Genet, P. Ruiz, B. Delmon


• Organic Films for Recognition, Sensing, and Templating at Biological Interfaces Sensors

P. F. Nealey, T. K. Vanderlick, Presiding 8:30—233. Tethered lipid bilayer biosensors.

B. Cornell 9:00—234. Amplification and transduction of

biomolecular interactions at surfaces by using liquid crystals. N. L. Abbott

9:30—235. Self-assembled redox amphiphil-ic vesicles on Au for the measurement of toxin binding. Q. Cheng, S. Zhu, J. Song, R. C. Stevens

9:48—236. Direct electron transfer between catalase-peroxidase, katG, and electrodes in biomembrane-like films and in layer-by-layer polyion films. Z. Zhang, J. F. Rusling

10:06—237. Monolayers on glass for optical sensing of metal ions. N. J. van der Veen, S. Onclin, M. A. Deij, S. Flink, F. C. J. M. van Veggel, D. N. Reinhoudt

10:24—238. Fabrication and characterization of 3-D self-assembled periodic nanostruc-tured photodynamic protein composite films for high-performance bio-optoelectronic devices and sensors. T. Zeng, W. B. Spillman, R. O. Claus

10:42—239. Direct measurement of the conductance of single conducting polymer nanowire and its application in biological nanosensor. H. X. He, C. Z. Li, N. J. Tao

11:00—240. Attachment of dithia-crown ether tetrathiafulvalene disulfides to gold surface: Electrochemistry and metal ion recognition. S-G. Liu, K. Bandyopadhyay, H. Liu, Z. Gao, L. Echegoyen

11:18—241. Chemically selective surfaces for targeted recognition of trace organic chemicals: A study into the role of molecular organization. V. K. Gupta, J. D. Faull

11:36—242. Functional self-assembled monolayers of β-cyclodextrins on gold: Single host-guest interactions probed by AFM. F. C. J. M. van Veggel, H. Schôn-herr, M. W. J. Beulen, G. J. Vancso, D. N. Reinhoudt

Section C


Polymer Interfaces: Adsorption, Self-Assembly, and Blend Interfaces Adsorbed Layers

M. Santore, Presiding

9:00—243. Controlling the structure and composition of mixed adsorbed layers by polymer-surfactant interactions. R. D. Tilton

9:40—244. Adsorption of polymers on chemically heterogeneous surfaces. V. K. Gupta, Y-W. Huang

10:00—245. Effect of PVA chain structure on its ability to stabilize colloids. W. Li, D. Gersappe, G. Ko, M. Asahi, T. Morimoto, Y. Takashima

10:20—246. Poly(dimethylaminoethyl meth-acrylate) adsorption studies on colloidal silica surfaces by means of NMR, electrophoresis, pH, and conductometric titrations. Y. Shin, M. Santore, J. E. Roberts

10:40—247. Graded interfaces in polymer thin films on silica. F. D. Blum

11:20—248. Monomer surface interactions of corrosion-preventing polymers on iron. A. B. Helms, D. E. Nikles, S. C. Street, M. Han

11:40—249. Polymer-oxide interface: Structure and property of macromolecular self-assembly. D. Li


Section D

JW Marriott Cannon

• Computer Simulation in Electrochemistry Novel Algorithms

P. A. Rikvold, Presiding

9:00—250. Ewald summation for systems with slab geometry. M. L. Berkowitz, l-C. Yeh

9:30—251. Extending atomistic simulation time scales. A. F. Voter

10:00—252. Bridging scales in electrochemical simulation. J. W. Halley

10:30—253. Advanced dynamic Monte Carlo algorithms to span disparate time scales. M. A. Novotny

11:00—254. Dynamic simulations of systems with continuous degrees of freedom. S. J. Mitchell, G. Brown, P. A. Rikvold

11:30—255. Coupled DFT and integral equation study for a metal-water interface. F. Hirata, A. F. Kovalenko

WEDNESDAY AFTERNOON

Section A

JW Marriott Grand Salon IV

• Metal Oxide Catalysts: Active Sites, Intermediates, and Reaction Mechanisms Activation of Alkanes and Alkenes

Β. Μ. Weckhuysen, Presiding 2:00—256. Dehydrogenation of light alkanes

by supported CrOx/AI203 catalysts. A. O. I. Krause, J. M. Kanervo, S. M. K. Airaksinen

2:50—257. Dehydrogenation and aromatiza-tion of paraffins over supported CrOx catalysts: Probing active sites under working conditions. A. Bruckner, D-L. Hoang, J. Radnik, N. Steinfeldt

3:20—Intermission. 3:30—258. In situ studies on the structure-

activity relationships of different active sites in ceria-supported vanadia catalysts for ethane oxidative dehydrogenation. M. A. Banares, M. V. Martinez-Huerta, J. L. G. Fierro, X. Gao, I. E. Wachs

4:00—259. Partial oxidation of 1,3-butadiene over V-Mo-0 catalysts. W. D. Schroeder, C. J. Fontenot, G. L. Schrader

4:30—260. Acetic acid formation in selective oxidation of ethane over metal oxide catalysts having isolated NCyadsorption sites. A. Ueda, Y. Yamada, T. Kobayashi

5:00—261. Propane activation over a series of H-ZSM-5 catalysts modified by Ga, Pt, and P: A 13C MAS NMR mechanistic study. B-L. Su Sr.


• Organic Films for Recognition, Sensing, and Templating at Biological Interfaces New Materials

P. F. Nealey, T. K. Vanderlick, Presiding 2:00—262. Molecular features influencing

protein liquid crystallinity. R. Valluzzi 2:30—263. Imparting biomimetic and biolog

ical recognition properties to interfaces with organic shell structured nanoparticle network films. C-J. Zhong, F. X. Zhang, W. Zheng, M. M. Maye, F. L. Leibowitz, N. K. Ly, J. G. Daras, Y. Lou, L. Han

3:00—264. Dendrimers based on melamine. E. E. Simanek, W. Zhang, S. Gonzalez, D. Nowlan, K. Bhattarai, M. McLean

3:30—265. Insertion and growth of individual dendrimer molecules in self-assembled monolayers on gold. A. Friggeri, H. Schônherr, H-J. van Manen, B-H. Huis-man, G. J. Vancso, J. Huskens, F. C. J. M. Van Veggel, D. N. Reinhoudt

3:50—266. Fluorescent monolayers at the nanometer scale. S. A. Levi, A. Mourran, J. P. Spatz, F. C. J. M. van Veggel, M. Moeller, D. N. Reinhoudt

4:10—267. Self-assembled monolayer of oc-tadecyltriethoxysilane on water vapor/ plasma treated mica as a supported membrane for biological applications. S. Kim, D. J. Tiani, J. W. Robertson, J. E. Pember-ton, J. E. Curry

JULY 24, 2000 C&EN 7 9

COLL/COMPfTECHNICAL PROGRAM

4:30—268. Biocompatibility studies and characterization of novel humic acid-based films as potential membrane material for implantable sensors. I. E. Galeska, F. Moussy, F. Papadimitrakopoulos

4:50—269. De novo amphiphilic β-sheet proteins from a combinatorial library: A new family of biomaterials and their behavior at the air-water interface. W. Wang, G. Xu, M. H. Hecht, J. T. Groves

5:10—270. Regulating self-assembly and molecular recognition via mechanical forces. G. Baneyx, A. Krammer, D. Craig, K. Schulten, V. Vogel


Polymer Interfaces: Adsorption, Self-Assembly, and Blend Interfaces Interfacial Dynamics

A. I. Nakatani, Presiding 2:00—271. Dilational viscoelastic character

ization of polymer monolayers by surface light scattering. A. R. Esker, L-H. Zhang, B. B. Sauer, W. Lee, H. Yu

2:40—272. Rheological properties of sterical-ly stabilizing polymers at oil-water interfaces. C. J. Rulison

3:00—273. Concentration dependence of bound polymer dynamics by inelastic neutron scattering. A. I. Nakatani, R. Ivkov, P. Papanek, H. H. Yang, M. Gerspacher

3:20—274. Viscoelastic polymer clay solutions. G. Schmidt, A. Nakatani, P. D. Butler, A. Karim, C. C. Han

3:40—275. Iron metallization of fluorinated organic films: A combined XPS and AFM study. S. R. Carlo, A. J. Wagner, D. H. Fairbrother

4:00—276. Kinetics of X-ray-induced modification to semifluorinated self-assembled monolayers. A. J. Wagner, K. Han, A. Vaught, D. H. Fairbrother

THURSDAY MORNING


A Metal Oxide Catalysts: Active Sites, Intermediates, and Reaction Mechanisms Oxidation Reactions

Ε. Μ. Gaigneaux, Presiding 8:30—277. Active sites and control of reac

tivity in catalysis by oxides. S. T. Oyama, R. Radhakrishnan, K. Asakura, K. Domen, J. Nomura, M. Seman

9:20—278. Bismuth pyrostannate as catalyst for the selective oxidation of isobutene in methacrolein: A case study within the frame of the remote control theory. M. Devi Mers, P. Ruiz, B. Delmon, L. Moens

9:45—279. On the mechanism of the catalytic oxidation of chlorinated aromatic compounds over supported metal oxide catalysts. B. D. Chandler, S. Krishnamoorthy, J. Lichtenberger, M. D. Amiridis

10:10—Intermission. 10:25—280. Investigation of active surface

sites of vanadyl pyrophosphate catalysts using methanol probe molecule. V. V. Gu-liants, S. A. Holmes, M. Carreon Garci-duenas, I. E. Wachs

10:50—281. Nickel catalysts: Systems which exhibit both a strong metal-oxide-support and a strong metal-support interaction. L. L Murrell, D. J. C. Yates, N. C. Dispen-ziere Jr.

11:15—282. IR study on the mechanism of room-temperature methane and benzene interaction with α-oxygen over Fe-ZSM-5 zeolites. K. A. Dubkov, E. A. Paukshtis, G. I. Panov

11:40—283. Photocatalytic oxidation of toluene on nanoscale Ti02 catalysts: Studies of deactivation and regeneration. L. Cao, Z. Gao, S. L Suib

12:05—284. Role of vanadia species in V2O5/T1O2 catalysts for toluene partial oxidation. D. A. Bulushev, L. Kiwi-Minsker, A. Renken


* Organic Films for Recognition, Sensing, and Templating at Biological Interfaces Protein Adsorption and Macromolecular Interactions

P. F. Nealey, T. K. Vanderlick, Presiding 8:30—285. Micro- and nanoengineering of

membrane receptor proteins at interfaces. H. Vogel

9:00—286. Measuring intra- and intermolec-ular interactions in macromolecules. C. Ortiz

9:30—287. Direct measurement of dynamic forces between a biological colloid and a surface using an optical-trap force transducer. R. B. Dickinson, J. D. Klein, A. R. Clapp

10:00—288. Molecular structure of biomolec-ular surfaces. C. W. Meuse

10:20—289. Investigations of the adsorption of macromolecules on the hydrophilic surface by sum-frequency generation spectroscopy. J. Kim, P. Cremer

10:40—290. Nonspecific adsorption of plasma proteins to chemically patterned monolayers. M. T. McDermott, T. C. Ta

11:00—291. Protein adsorption on mixed self-assembled monolayers. L. Li, S. Chen, C. L. Boozer, S. Jiang

11:20—292. Analysis of microlithographically protein-patterned substrates with near-field scanning optical microscopy. D. M. Thompson, K. E. Schmalenberg, L. F. Garfias, K. E. Uhrich, H. Buettner

11:40—293. Structural variability of the self-assembled monolayers (SAMs) of HS iCHgCHgO^nH^ , χ = 3-8 and η = 1, 10, 18, on gold. D. J. Vanderah, C. P. Pham, S. K. Springer, V. Silin, D. N. Zeiger, C. W. Meuse


Polymer Interfaces: Adsorption, Self-Assembly, and Blend Interfaces Surface Patterning and Wetting

P. T. Hammond, Presiding 9:00—294. Ultrahydrophobic surfaces: Ef

fects of topography and length scales on wettability. D. Ôner, T. J. McCarthy

9:20—295. High-throughput dewetting of polystyrene on gradient etched silicon surfaces. K. Ashley, D. Raghavan, J. C. Meredith, A. Karim

9:40—296. Controlling nanometer-scale structure of mixed self-assembled monolayers on Au(111). S. Chen, L. Li, C. L Boozer, S. Jiang

10:00—297. Effects of low-surface-energy polymeric thin films on the orientation of LC molecules. D. Perahia, R. Traiphol, D. W. Smith Jr., G. Felcher

10:20—298. Langmuir and Langmuir-Blod-gett films of amphiphilic linear-dendritic rod diblock copolymers. C. M. B. Santini, T. A. Hatton, P. T. Hammond

10:40—299. Assembled thin films of linear dendritic block copolymers. M. A. Johnson, P. T. Hammond

11:00—300. Synthesis and properties of thiol-terminated pyridinium wires. A. Reis-inger, J. Pecka, J. Jindrich, J. R. Miller, J. P. Kirby, L. Pospisil, J. Michl

11:20—301. Selective self-organization of colloids on patterned polyelectrolyte templates. X. Jiang, K. M. Chen, L. C. Kimer-ling, P. T. Hammond

THURSDAY AFTERNOON


A Metal Oxide Catalysts: Active Sites, Intermediates, and Reaction Mechanisms Removal of NOx

M. A. Banares, Presiding

2:00—302. Intermediate species investigation for deNOx reactions on metal oxide catalysts. N. Bion, M. Daturi, J. Saussey, J-C. Lavalley

2:3fJ—303. Time-resolved in situ UV Raman spectroscopy of adsorbed sulfates and nitrates on γ-alumina-based catalysts. D. Uy, W. H. Weber

3:00—304. Selective catalytic reduction of NOx by different hydrocarbons on modified sulfated zirconia catalysts. H. Papp, V. Speer

3:30—Panel Discussion. G. Mestl, B. M. Weckhuysen, C. A. Klug, R. Schlogl, A. O. I. Krause, R. J. Madix, H. Turner

5:00—Concluding Remarks. C. A. Klug, B. M. Weckhuysen, G. Mestl


• Organic Films for Recognition, Sensing, and Templating at Biological Interfaces DNA Technology and Biochips

P. F. Nealey, T. K. Vanderlick, Presiding 2:00—305. Arrays of the biorecognition ca

pable biopolymers—nucleic acids, proteins, and saccharides—on self-assembled monolayers for the construction of addressable biochips. F. R. Ortigao, M. Mecklenburg, N. Nifant'ev, M. Cieplik

2:30—306. Surface plasmon resonance imaging measurements of DNA, RNA, and protein adsorption onto DNA monolayer arrays. R. M. Corn, G. Hurtt, E. Smith, B. Nelson, T. Grimsrud

3:00—307. Patterning cells and DNA on surfaces through a combination of surface chemistry and microfluidics. J. D. Carbeck

3:3rj—308. Fluorescence detection of DNA hybridization based on surface orientation changes. T. H. Huang, S. Stranick, M. J. Tarlov

3:50—309. Effect of DNA probe structure and target length on hybridization kinetics and efficiency of DNA self-assembled monolayers. G. B. Saupe, M. J. Tarlov

4:10—310. Immobilized DNA electrodes: The effect of target length on DNA hybridization. K. G. Olsen, A. B. Steel, M. J. Tarlov

4:30—311. Kinetic control of oligonucleotide hybridization in monolayer nucleic acid films measured by in situ quantitative surface plasmon resonance spectroscopy. R. M. Georgiadis, A. W. Peterson, R. H. Heaton

4:5fJ—312. Nucleobase derivatized monolayers of conjugated polymers for oligonucleotide recognition. A. Berman


Polymer Interfaces: Adsorption, Self-Assembly, and Blend Interfaces Current and Future Tech agies

D. Perahia, Presiding 2:00—313. Preparation of ultrafine latices

using block and graft copolymers. A. M. Horgan, B. Vincent

2:25—314. Stabilization of gold nanoparti-cles in polyphosphazene polymers and polymer blends. J. V. St. John, P. Wisian-Neilson

2:5fJ—315. Characterization of the interactions of Nation membranes and water using neutron-scattering techniques. T. J. Udovic, S. F. Trevino, S. K. Young, M. K. Crawford, Q. Sun

3:15—316. Surface and bulk interactions of an epoxy-based azo polymer with a perfluo-rosulfonate ionomer (Nation) membrane. A. P. Angelopoulos, M. S. Tremblay, Y-H. Kim

3:40—317. Interfacial properties of modified glass fibers. H. J. Barraza, E. A. O'Rear III, M. J. Hwa


COMP

DIVISION OF COMPUTERS IN CHEMISTRY R. Wheeler, Program Chair


What's the Next Big Step In Using Computers To Teach Chemistry? (see Division of Chemical Education, Wed, Thu, page 72)

Use of Toxicological Information in Drug Design (see Division of Chemical Information, Sun, page 73)

Computer Simulation In Electrochemistry (see Division of Colloid & Surface Chemistry, Sun, Mon, Tue, Wed, page 76)

Density Functional Theory in Inorganic Chemistry (see Division of Inorganic Chemistry, Sun, Mon, Tue, Wed, page 95)

Chemistry Under Extreme Conditions (see Division of Physical Chemistry, Sun, Mon, Tue, Wed, Thu, page 118)

Frontiers in Biophysical Theory (see Division of Physical Chemistry, Sun, Mon, Tue, page 118)

Industrial Applications In Theoretical Chemistry (see Division of Physical Chemistry, Mon, Tue, Wed, Thu, page 120)

Physical Organic Chemistry: Calculations, Mechanisms, and High-Energy Species (see Division of Organic Chemistry, Mon, page 113) BUSINESS MEETING: Sat

SOCIAL EVENT: Social Hour, Tue

SUNDAY MORNING

Section A Grand Hyatt Burnham

• Current Status of Molecular Force Fields Organic and Pharmaceutical Compounds

T. Halgren, Organizer, Presiding 8:30—Introductory Remarks. 8:45—1. Parameterization and validation of

the AM1-BCC charge model for organic small molecules. A. Jakalian, D. Jack, C. I. Bayly

9:25—2. Extending the OPLS-AA force field for ligand functionality. T. A. Halgren, R. B. Murphy, W. L. Jorgensen, R. A. Friesner

10:05—Intermission. 10:20—3. Toward a spectroscopically deter

mined polarizable force field (SDPFF) for proteins. K. Palmo, B. Mannfors, N. G. Mirkin, W. Qian, S. Krimm

11:00—4. Development of the TraPPE force field for fluid-phase equilibrium calculations. B. Chen, J. J. Potoff, C. D. Wick, J. M. Stubbs, J. I. Siepmann

11:25—5. Molecular mechanics can teach us something about chemistry. N. L. Allinger

8 0 JULY 24, 2000 C&EN

Section B Grand Hyatt Constitution Ballroom B

• • QSAR In Vivo Descriptors and Methodology

R. D. Clark, Organizer 8:30—6. Enhancement of binary QSAR anal

ysis by GA-based variable selection method. H. Gao, M. S. Lajiness, J. H. Van Drie

9:00—7. Using theoretical descriptors for correlating biochemical properties. G. R. Famini, L. Y. Wilson, R. Rodriquez, D. Aguiar, M. A. Payne

9:30—8. Wavelet representations of molecular electronic properties: Applications in ADME, QSPR, and QSAR. C. M. Brene-man, N. Sukumar, K. P. Bennett, M. J. Embrechts, M. Sundling, L. Lockwood

10:00—Intermission. 10:15—9. Chemically biased scaling of mo

lecular descriptors: A general method for defining druglike libraries. C. H. Reynolds, R. Druker, L. B. Pfahler

10:45—10. Choosing SAR for QSAR. A. Tropsha, A. Golbraikh, M. Shen, G. Fels, A. Dietrich

11:15—11. Trials and tribulations of developing predictive models for ADME. M. G. Bures, I. Lico, Y. C. Martin

• Virtual High-Throughput Screening cosponsored with Division of Chemical Information (see page 73)

SUNDAY AFTERNOON

Section A Grand Hyatt Burnham

• Current Status of Molecular Force Fields Proteins and Nucleic Acids

T. Halgren, Organizer 1:30—12. Comparing available force fields

used in molecular dynamics simulations of solvated nucleic acid duplexes. T. E. Cheatham III

2:10—13. Recent developments in the CHARMM all-atom force field for biological molecules. A. D. MacKerell Jr.

2:50—14. OPLS-AA/L force field for proteins: Using accurate quantum mechanical data. G. A. Kaminski, R. A. Friesner, J. Tirado-Rives, W. L. Jorgensen

3:30—Intermission. 3:45—15. Exploring the relationships be

tween DNA structure, sequence, and environment: Multinanosecond molecular dynamics simulations of d(C5T5)d(A5G5) in high- and low-water activity environments. D. R. Langley

4:25—16. Implicit hydration model for proteins and ligand-binding based on the SGB electrostatic model and a newly developed nonpolar estimator. E. Gallicchio, L. Y. Zhang, R. Levy

5:05—17. Optimization of force-field-based solvation models for predicting the structure of surface loops in proteins. H. Meiro-vitch, B. Das

A Catalysis



• Environmental


Sciences


Section Β Grand Hyatt Constitution Ballroom Β

• • QSAR In Vivo Applications

R. D. Clark, Organizer 1:30—18. QSAR: From humans to insects

and back again. C. Hansch 2:15—19. (Q)SAR study on the metabolic

stability of steroidal androgens. R. Bursi, M. de Gooyer, A. Grootenhuis

2:45—20. Aquatic toxicity mode-of-action studies applied to QSAR development. P. K. Schmieden S. P. Bradbury, C. Rus-som, S. Broderius

3:15—Intermission. 3:30—21. Prediction of tetrahymena acute

toxicity for a diverse set of organic compounds from molecular structure. J. R. Serra, K. L. E. Kaiser, P. C. Jurs

4:00—22. Classification of multidrug resistance reversal agents from molecular structure. G. A. Bakken, P. C. Jurs

4:30—23. COMPARE: A Web-accessible tool for investigating mechanisms of cell growth inhibition. D. W. Zaharevitz, S. L. Holbeck, C. Bowerman, P. A. Svetlik

* Virtual High-Throughput Screening cosponsored with Division of Chemical Information (see page 73)

MONDAY MORNING

Section A Grand Hyatt Conference Theatre

• Current Status of Molecular Force Fields Beyond Conventional Molecular Mechanics

A. D. MacKerell Jr., Presiding 8:30—24. CPEFF: A DFT-based many-body

force field for molecular simulations. D. M. York

9:10—25. Development of a polarizable protein force field. R. A. Friesner

9:50—Intermission. 10:05—26. Inter- and intramolecular-

interaction energies and nonadditive effects: A parallel ab initio and polarizable molecular mechanics investigation. N. Gresh

10:45—27. Molecular dynamics simulations with polarizable potential models. L. X. Dang

11:25—28. Treatment of polarization in large molecular systems. S. J. Stuart, L. Hu


• Computational ADME ADME/Γοχ Modeling

R. D. Clark, M. Wessel, Organizers 8:55—Introductory Remarks. 9:00—29. Computational approaches for

prediction of human in vitro intrinsic clearance. S. Ekins, R. S. Obach

9:30—30. Review of computational tools for toxicity and metabolism detection. N. Greene

10:00—31. Computational methods for the prediction of intestinal drug permeability. P. Stenberg, U. Norinder, K. Luthman, P. Artursson

10:30—Intermission. 10:45—32. High-throughput prediction of

physicochemical and biochemical processes from structure, using calculated Abraham solvation descriptors. M. H. Abraham

11:15—33. New approach to the evaluation of bioavailability of drugs. G. Klopman, L. Stefan, R. D. Saiakhov

MONDAY AFTERNOON


• Current Status of Molecular Force Fields Organometallic and Inorganic Compounds

T. Halgren, Organizer 1:30—34. Inorganic molecular mechanics

and conformational/conf igurat ional searching methods. M. Zimmer

2:10—35. Genetic algorithms for development of transition-metal force fields. J. Deng, W. Fu Jr., T. Cundari

2:50—36. New bond-dissociating force fields for describing reactions and phase transitions. W. A. Goddard III, A. Strachan, A. C. T. van Duin, T. Çagin, J. Che, Y. Qi, D. Chakraborty, S. Dasgupta

3:30—Intermission. 3:45—37. Potential energy surface from dis

tortion of Co+2 ligands. A. M. Schmlede-kamp, M. D. Ryan

4:25—38. Ligand field theory in the new millennium: Is there life after DFT? R. J. Deeth

5:05—39. Valence bond concepts applied to a molecular mechanics description of transition metals with π-bonds. T. K. Firman, C. R. Landis


• Computational ADME ADME/Tox Modeling

R. D. Clark, M. Wessel, Organizers 2:00—40. Computational modeling of drug

solubility. P. H. Lee, G. M. Maggiora 2:30—41. Simultaneous simulation of diffu

sion and partitioning of drug in biological systems using the finite element method. P. J. Missel

3:00—42. Qualitative structure-pharma-cokinetic modeling: In silico approaches to protein binding. S. R. Johnson, E. P. Chen

3:30—Intermission. 3:45—43. Novel linear regression model for

the prediction of aqueous solubility of drug molecules employing fundamental descriptors. S. F. Semus

4:15—44. Prediction of ADME properties for drug discovery. W. J. Egan, Κ. Μ. Merz Jr.


Sci-Mix R. A. Wheeler, Organizer 8:00-10:00 81, 82, 89, 101, 104, 106, 109-113, 116,

121. See subsequent listings.

TUESDAY MORNING Section A

Grand Hyatt Conference Theatre

• Molecular Connectivity Origins and Development

L. H. Hall, L. B. Kier, Organizers 8:30—Introductory Remarks. 8:45—45. Development of molecular con

nectivity and the role of creativity. L. H. Hall, L. B. Kier

9:30—46. Meaning of molecular connectivity and the dynamic simulation of bond encounters. L. B. Kier, L. H. Hall



10:30—47. On the variable connectivity index and other variable molecular descriptors. M. Randic

11:15—48. Trends and possibilities for future developments of topological indices. A. T. Balaban, S. C. Basak

Section Β Grand Hyatt Farragut Square

M Materials Discovery Cosponsored with Division of Physical Chemistry and Division of Inorganic Chemistry A. J. Holder, Organizer, Presiding 8:30—Introductory Remarks. 8:40—49. Charge carriers in polythiophenes.

T. Clark, T. Schindler 9:00—50. Concepts and modeling approach

es in conjugated materials. D. S. Dudis, A. T. Yeates

9:20—Intermission. 9:40—51. Polaronic and bipolaronic en

hancement of second hyperpolarizabilities in dithienyl polyenes from ab initio quantum methods. S. Trohalaki, R. Zellmer, R. Pachter

10:00—Intermission. 10:20—52. Molecular simulation of gas diffu-

sivity, solubility, and free volume in inorganic polymers. J. R. Fried, B. Li, N. Hu

10:40—53. Gun tube erosion: Theoretical studies. M. M. Hurley, C. F. Chabalowski, G. H. Lushington, D. Sorescu

11:00—54. Theoretical studies of the catalytic decomposition of gases on metallic surfaces. W. J. Welsh, P. Wolohan, R. M. Friedman, J. Ebner


TUESDAY AFTERNOON


• Molecular Connectivity Applications

L. H. Hall, L. B. Kier, Organizers 2:00—Introductory Remarks. 2:15—55. Molecular connectivity and drug

design. J. Galvez, R. Garcia-Domenech, J. V. D. Julian-Ortiz

2:50—56. Use of graph invariants for the prediction of property/activity/toxicity of chemicals. S. C. Basak, B. D. Gute, D. Mills, A. T. Balaban

3:25—Intermission. 3:40—57. Successes of molecular connectiv

ity. P. G. Seybold 4:15—58. From linear combinations of con

nectivity indices to molecular connectivity terms. L. Pogliani

4:50—59. Variable selection QSAR using molecular connectivity indices as descriptors. A. Tropsha, A. Golbraikh, Y-D. Xiao, D. Bonchev

JULY 24, 2000 C&EN 8 1

COMP/ENVR/TECHNICAL PROGRAM


Η Materials Discovery Cosponsored with Division of Physical Chemistry and Division of Inorganic Chemistry R. E. Bachman, Presiding 1:30—60. Chemical approaches to hard

magnetic nanoparticles and nanocrystal superlattices. S. Sun, C. B. Murray, D. Weller, L. Folks, A. Moser

1:50—61. Cyanogels: A novel hydrogel system for the sol-gel synthesis of metal oxide solid-state materials. J. T. Willson, A. B. Bocarsly

2:10—62. Dimensional changes as a function of charge injection for carbon nano-tubes. G. Sun, M. Kertesz, J. Kurti, R. H. Baughman

2:30—63. Fabrication, characterization, and optical properties of ultrathin dendrimer nanocomposite multilayers containing nanosized metallic silver domains in well-structured organic films. S. M. Redmond, S. C. Rand, H. Tang, D. C. Martin, P. Balogh, L. Balogh

2:50—Intermission. 3:10—64. First demonstration of nanoporous

palladium superlattices and their novel chemoselectivity. J. Cheon, H. Y. Lee, H. K. Kang, S. Y. Ryou

3:30—65. New energy-rich molecular systems: From N10 to N60. M. R. Manaa

3:50—66. Synthesis, characterization, photo-physics, and organic LED applications of mer-tris ortfiometallated Ir(lll) complexes. S. A. Lamansky, P. I. Djurovich, A. Kershaw, S. A. Balybine, H-E. Lee, M. E. Thompson

Section C Grand Hyatt Constitution Ballroom Β

• Emerging Technologies D. B. Boyd, Organizer 1:30—Introductory Remarks. 1:40—67. Origin of binding selectivity for

celecoxib analogs with COX-1 and COX-2 from combined docking and Monte Carlo simulations. M. L. Plount Price, W. L. Jor-gensen

2:10—68. Getting 1.4 Â C-cc RMSD structure predictions on two small proteins with molecular mechanics. M. R. Lee, P. A. Koll-man

2:40—69. Novel stochastic algorithm for structure predictions in proteins and for bi-omolecular interactions. A. Goldblum, M. Glick

3:10—70. Application of the "shape signatures" approach to ligand- and receptor-based drug design. R. J. Zauhar, W. J. Welsh

3:40—71. Novel approach to improve group contribution predictions based on modern computational chemistry. S-T. Lin, S. I. Sandler

4:10—72. Design and evaluation of combinatorial libraries using protein crystal structures: Methods and applications to drug discovery. T. F. Hendrickson, F. Chan, S. Reich, T. O. Johnson

4:40—73. New representations of molecular chirality: Application to the prediction of enantiomeric selectivity in chromatography and chemical reactions. J. M. Aires-de-Sousa, J. Gasteiger


TUESDAY EVENING Convention Center Exhibit Hall D

Poster Session

R. Wheeler, Organizer 7:00-9:00 74. Clustering of JP-8 chemicals using struc

ture spaces and property spaces: A computational approach. D. Mills, S. C. Basak, G. D. Grunwald, B. D. Gute, J. Riviere

75. Hierarchical clustering of psoralen derivatives using topological invariants: A strategy for molecular design. D. Mills, S. C. Basak, B. D. Gute, A. T. Balaban, G. D. Grunwald, K. Basak

76. Retro-regression: A novel variant of multivariate regression analysis. M. Randic

77. Selection of molecular similarity methods: A case study examining five structure spaces. B. D. Gute, G. D. Grunwald, D. Mills, S. C. Basak

78. Use of variable connectivity indices on biological molécules. D. Mills, M. Randic, S. C. Basak

79. High quality of property predictions by Molconn-Z and artificial neural network modeling. M. E. Parham, L. H. Hall, L. B. Kier

80. Prediction of surface tension, viscosity, and electrical conductivity of organic solvents from molecular structure. G. W. Kauffman, P. C. Jurs

81. Prediction of glycine/NMDA receptor antagonist inhibition from molecular structure. S. J. Patankar, P. C. Jurs

82. Prediction of ion mobilities of polypeptides from molecular structure. P. D. Mosier, P. C. Jurs, A. E. Counterman, D. E. Clemmer

83. Nonbonded interactions primarily determine molecular geometry. R. F. See, A. D. Dutoi, K. W. McConnell, R. M. Naylor

84. Computational study of the rotamers of propylcyclohexane. F. Freeman, M. L. Kasner, M. Yokota, C. Bray, W. J. Hehre

85. Computational study of the mechanism of tetrahydro-2H-pyran (THP) ring reversion. F. Freeman, M. L. Kasner, W. J. Hehre

86. Further development and application of NAMFIS: NMR analysis of molecular flexibility in solution. B. Cornett, N. Nevins, D. C. Liotta, J. P. Snyder

87. Conformational studies of methyl 3-0-methyl-a-D-arabinofuranoside: Toward a method for studying the conformational flexibility of oligofuranosides. J. B. House-knecht, P. R. McCarren, T. L. Lowary, C. M. Hadad

88. Ab initio investigations into the conformational preferences of both methyl 4a-carba-D-arabinofuranosides. C. S. Callam, T. L. Lowary, C. M. Hadad

89. ATTILA: An efficient method for the conformation searching of cyclic molecules. C-T. Teo, J. M. Goodman

90. Vibrational structure of styrene using a Hessian-biased force field method. P. M. Hare, H-H. Tsai, M. C. Simpson

91. Hessian-biased force field study of the vibrational frequencies of cis- and trans-stilbenes. H-H. Tsai, M. C. Simpson

92. Hessian-biased force field study of the vibrational structure of Ni-porphine. M. C. Simpson, H-H. Tsai

93. Fragment vibrational analysis and its application to selected electron donor-acceptor complexes. R. A. Wheeler, C. Matthaeus

94. Optimization of Lennard-Jones parameters for amines and their application in free energy of solvation calculations. I-J. Chen, A. D. MacKerell Jr.

95. Benchmarking potential energy models against bulk properties for simulations of bismuth clusters. D. Coluccio, R. Q. Topper, J. A. Kritzer, A. Deaconescu, J. de la Parra Jr., S. Mikhail, K. Demuren

96. QSAR study and design of melatonin receptor ligands for m\<\ and MT2 receptors. E. X. Esposito, J. D. Madura, P-K. Li

97. Structure-based, 3-D, quantitative structure-activity relationship between paullones and CDK5/p25. R. Gussio, C. F. McGrath, D. W. Zaharevitz, G. E. Kellogg, C. Schultz, C. Kunick, M. Leost, L. Meijer, E. A. Sausville

98. Design and structure: Function relationships of transforming growth factor-β mimicking peptides. M. Shibata, Y. Chen, A. L. Kazim

99. Systematic investigations of flexible ligand docking methods. Z. Zhu, Z. Hu, S. Rong, I. J. Enyedy, S. Wang

100. Homology model for CDK5/p25. C. F. McGrath, R. Gussio, D. W. Zaharevitz, E. A. Sausville

101. Molecular modeling studies of the interactions between protein kinase C and its ligands. S-B. Rong, L. Zhao, L. Qiao, S. Wang, A. P. Kozikowski

102. Analysis of CO/02 binding in hemoglobin through modeling and database studies of the metal-ligand coordination sphere. R. F. See, M. Goodbread

103. Molecular dynamics simulation of HIV protease-ligand complex with the finite difference Poisson-Baltzmann method. R. Luo, W. Wang, P. A. Kollman

104. Computational evidence for two HIV-1 integrase inhibitor interaction sites. A. L. Parrill, H. Yuan, C. Turner, G. B. Ray

105. Dynamic simulation of interaction between HIV-1 RNA loops and PNA-based cyclic molecules. R. Terreux, S. Anton-czak, D. Cabrol-Bass, N. Patino, R. Condom

106. S16F mutant effect on the binding of human SRY protein to DNA from molecular dynamics simulations. Y. Tang, L. Nils-son

107. Computational modeling of antifreeze protein: Ice interactions. P. Dalai, J. D. Madura, F. Sônnichsen

108. Quantum mechanical/molecular mechanical study using density functionals and the double link atom method. D. Das, E. M. Billings, B. R. Brooks

109. Chorismate mutase reactivity: An ab initio study. S. E. Worthington, A. E. Roit-berg, M. Krauss

110. Mn-salen catalyzed epoxidation of olefins: Ligand effects. J. El-Bahraoui, O. G. Wiest, D. Plattner, D. Feichtinger

111. LHASA, the next step: A paradigm shift from user-directed CAOS to noninteractive generation of optimal retrosynthetic routes using deterministic search. C. A. Marby, R. Chen, A. P. Sukharevsky, A. K. Long

112. Competing [2+2+2] and electrocyclic mechanisms in the ring-opening reactions of cyclohexeno- and benzofused tris(cy-clobuteno)cyclohexanes. D. Sawicka, K. N. Houk, J. Lehmann, K. P. C. Vollhardt

113. Nontraditional hydrogen bonding in the boron Lewis acid-catalyzed Diels-Alder reaction. S. Kong, J. D. Evanseck

114. Computational, density-functional (B3LYP) study of singlet- and triplet-state carbene cycloadditions to ethylene: Evidence of a novel mechanism. L. M. Campos, H. L. Martinez

115. Accurate NMR chemical shift predictions of fullerenes. G. Sun, M. Kertesz

116. Atoms in molecules (AIM) studies of nonclassical carbocations. L. R. Schmitz, T. Dean

117. C-H activation by high- and low-valent transition-metal complexes. T. R. Klinck-man, T. R. Cundari, P. Wolczanski, L. M. Slaughter, T. B. Gunnoe

118. Molecular computing, quantum dot cellular automata might do! J. El-Bahraoui, S. Braun-Sand, O. G. Wiest

119. Third-order nonlinear optical response of thiophene homologs. K. Kiyohara, K. Kamada, K. Ohta

120. Theoretical study of the photoelectron spectrum of (n5-C5H5)Ni(NO). T. F. Miller III, M. B. Hall

121. Are hydrogen bonds covalent or electrostatic? A molecular orbital comparison of molecules in electric fields and H-bonding environments. J. J. Dannenberg, A. Ma-sunov, L. Haskamp

122. Theoretical study of structure and stability of HCN-water clusters: HCN(H20)n, n = 1-3. D. E. Bacelo

123. Role of counterpoise correction for BSSE in the geometry optimization of the transition states. J. J. Dannenberg, N. Kobko

124. Ab initio studies of the interaction of sulfur trioxide and water. J. M. Standard, I. K. Buckner, D. H. Pulsifer

125. Theoretical study of a bisulfate ion adsorbed on a gold cluster. M. D. Legault, L. Blum, D. E. Bacelo

126. Nitrile anions: Ab initio modeling. V. V. Kulkarni, F. F. Fleming, J. D. Madura

127. Computer simulations of microstructure evolution in diamond CVD. R. C. Brown

128. Molecular dynamics modeling of sorption of pesticides onto the surfaces of ka-olinite. L. Yan, G. W. Bailey


WEDNESDAY MORNING


• Molecular Connectivity General

L. H. Hall, L. B. Kier, Organizers

8:30—Introductory Remarks. 8:40—129. Similarity-based estimation of

properties: A comparison of structure spaces. B. D. Gute, G. D. Grunwald, D. Mills, S. C. Basak

9:10—130. Extending molecular connectivity: From bond connectivity to long-range contributions. E. Estrada

9:40—131. Overall connectivity: A next-generation molecular connectivity. D. Bonchev

10:10—132. Virtual high-throughput screening of libraries based on classification SAR. R. D. Brown, T. Stockfish, M. Wald-man, M. Hassan

10:40—Intermission. 10:55—Discussion.



R. D. Clark, M. Wessel, Organizers 9:00—133. Predictive ADME models from

chemical structures. J. Q. Wu 9:30—134. Use of 2-D, 3-D, TAE, and wave

let coefficient descriptors (WCDs) for generating self-organizing Kohonen maps for QSAR, QSPR, and ADME analyses. L. Lockwood Jr., C. M. Breneman, M. J. Embrechts, K. P. Bennett, F. Arciniegas

10:00—135. Rapid automated prediction of Abraham LSER descriptors. J. A. Platts

10:30—Intermission. 10:45—136. Numerical drug-fitness index. T.

Clark 11:15—137. Prediction of aqueous solubility

of a diverse set of compounds using quantitative structure-property relationships. A. Cheng, Κ. Μ. Merz

Section C Grand Hyatt Farragut Square

• Supercritical Fluid Modeling Density Inhomogeneities

S. C. Tucker, Organizer J. L. Skinner, Presiding 9:00—138. Molecular dynamics study of sub-

and supercritical water using polarizable potential model and an analysis of hydrogen-bonded clusters. S. Okazaki

9:40—139. Molecular dynamics study of voids, clusters, and solutes in supercritical fluids. R. D. Mountain

10:20—Intermission. 10:30—140. Local density augmentation in

supercritical fluids: Do simulations and experiment agree? M. Maroncelli, R. Biswas, N. Patel, W. Song

11:10—141. Monte Carlo simulation for solubilities of high boiling compounds in supercritical fluids. Y. Iwai

11:50—142. Hydrolysis reactions in supercritical water: A computer simulation study. R. E. Westacott, P. J. Rossky, K. P. Johnston


8 2 JULY 24, 2000 C&EN

WEDNESDAY AFTERNOON


• Supercritical Fluid Modeling Complex Mixtures

G. Goodyear, Presiding 1:30—143. Monte Carlo simulations of su

percritical fluid extraction systems. J. I. Siepmann, M. G. Martin, B. Chen, J. M. Stubbs, J. J. Potoff

2:10—144. Polymer adsorption and colloid stability in supercritical fluids: Monte Carlo simulation. J. C. Meredith, K. P. Johnston

2:50—Intermission. 3:00—145. Self-assembly of reverse mi

celles in supercritical C0 2 by molecular dynamics simulation. H. D. Cochran, S. Salaniwal, S. Cui, P. T. Cummings

3:4fJ—146. Structure and properties of ho-mopolymers and copolymers in near-critical fluid mixtures. J. J. de Pablo, Q. Yan

4:20—147. Theory and simulation of cohesive diffusion in nanopores: Transport in subcritical and supercritical regimes. S. M. Auerbach



R. D. Clark, M. Wessel, Organizers 2:00—148. Modeling of cellular permeability

for nonpeptide CCK-A agonists. H. Wang, W. Andrews, M. Coffin, G. Whitesell, A. Bridgers

2:30—149. Using quantum chemistry to calculate atomic and group descriptors for QSAR and QSPR. P. Gedeck, B. Martin, T. Schindler, T. Clark

3:00—Intermission. 3:15—150. Aqueous solubility prediction of

two classes of organic compounds from molecular structure. N. R. McElroy, P. C. Jurs

3:45—151. Quantum QSPR using diamond properties. B. Beck

THURSDAY MORNING


General Papers: Theoretical R. Wheeler, Organizer G. R. Famini, Presiding 8:30—Introductory Remarks. 9:00—152. QM/QM methods: Use of com

posite DFT/semiempirical Hamiltonians in describing the electronic structure of bio-molecules. V. Gogonea, Κ. Μ. Merz Jr.

9:30—153. Study interactions between the Sem5 SH3 domain and its ligands using molecular dynamics and continuum solvent model. W. Wang, J. Wang, R. Luo, J. Wang, A. Jakalian, C. Bayly, W. Lim, P. Kollman

• Catalysis



• Environmental


Sciences


10:00—154. Quantitative description of polymer solvent parameters by the intermolecu-lar force equation. M. Charton, B. Charton

10:30—155. Computer simulations of Ost-wald ripening in a transdermal drug delivery system. J. Zeng, K. I. Jacob

11:00—156. Quantum chemistry in a molecular polar solvent: The electronic structure and conformation of a betaine dye. T. Ishi-da, P. J. Rossky


General Papers: Biochemical R. Wheeler, Organizer 9:00—157. Ab initio molecular dynamics

studies on HIV-1 reverse transcriptase triphosphate binding site: Implications for nucleoside analog drug resistance. F. Al-ber, P. Carloni

9:40—158. MD/QM study of the chorismate mutase-catalyzed Claisen rearrangement reaction. A. E. Roitberg, S. E. Worthing-ton, M. Krauss

10:20—159. Computational study of the role of the ligand flexibility in binuclear non-heme iron enzymes. M. Torrent, D. G. Musaev, K. Morokuma

11:00—160. Innovative genetic algorithms for chemoinformatics. B. Lavine, C. Davidson, A. Moores

THURSDAY AFTERNOON


General Papers: Theoretical G. R. Famini, Organizer 1:00—161. Nanotubes as test tubes: Effect

of confinement on hydrocarbon reactions. S. J. Stuart, B. M. Dickson, D. W. Noid, B. G. Sumpter

1:30—162. Simulations of small biomole-cules. N. C. Braier

2:00—163. Polaron reorganization energies accompanying reduction of methylated po-ly(benzobisthiazoles). X. F. Duan, M. Alexander, A. T. Yeates, D. S. Dudis

2:30—164. Comparison of ab initio and AM1 two-photon absorption coefficients of selected organic molecules. G. P. Das, D. S. Dudis, A. T. Yeates

3:00—165. Theoretical studies on infrared absorption cut-offs of molecular nonlinear optical crystals. K. Wu

3:30—166. MCSCF ab initio calculations on organic building blocks for magnetic materials: Metal complexes of the dianions of 3,6-dimethylenecyclohexane-1,2,4,5-tetrones. J. E. Jackson, A. W. Misiolek


General Papers: Biochemical R. Wheeler, Organizer

1:00—167. Binding domain of κ-opioid receptor: Peptide mimetic of the second extracellular loop. L. Zhang, M. Goodman

1:30—168. Defining the ligand specificity of EDG1, 2, and 6 through mutagenesis, docking, and molecular dynamics studies. A. L. Parrill, D. L. Bautista, D. L. Baker, D-A. Wang, Z. Lôrinez, D. J. Fischer, K. Lil-iom, G. Tigyi, J. Van Brooklyn, S. Spiegel

2:00—169. Molecular modeling studies of the Akt PH domain and its interaction with phosphoinositides. S-B. Rong, Y. Hu, S. Wang, A. P. Kozikowski

2:30—170. Reversible and competitive binding of β-cyclodextrin to benzyl alcohol in aqueous solution through molecular dynamics simulations. J. Varady, X. Wu, S. Wang

ENVR

DIVISION OF ENVIRONMENTAL CHEMISTRY M. L. Trehy, Program Chair


Green Chemistry: Applications in Academia and Industry (see Division of Industrial S Engineering Chemistry, Mon, Tue, Wed, Thu, page 94)

Waste Materials Recycling for Energy and Other Applications (see Division of Fuel Chemistry, Sun, Mon, page 89)

Advances in Hydrocarbon Characterization (see Division of Petroleum Chemistry, Tue, page 117)


Terrestrial Field Dissipation Studies: Purpose, Design, and Interpretation (see Division of Agrochemicals, Tue, Wed, Thu, page 62)

Enviro-Compatible Syntheses and Processes: Targeting Sustainability (see Division of Polymer Chemistry, Tue, Wed, Thur, page 129)

SOCIAL EVENTS: Dinner, Tue Social Hour, Tue, Wed BUSINESS MEETING: Mon

SUNDAY MORNING

Section A

Grand Hyatt Independence Ballroom B-C

• Sequestration of Organic Solutes in Natural Organic Matter and Mineral Aggregates C. J . Werth, E. J . LeBoeuf, Organizers

8:30—Introductory Remarks. 8:40—1. Sequestration of organic solutes by

natural geosorbents: Equilibrium insights from polymer sciences. W. J. Weber Jr.

9:10—2. Solid-state NMR investigation of dual-mode sorption to soil organic matter. S. D. Kohl, T. J. Paul, J. A. Rice

9:30—3. Evaluating competitive sorption mechanisms in soils and sediments using zeolites. J. Li, C. J. Werth, K. J. Balkus Jr.

9:50—4. Equilibrium sorption of organic compounds in different types of organic matter: Pore filling vs. partitioning. P. Grath-wohl, S. Kleineidam

10:10—Intermission. 10:30—5. Solution NMR studies of humic

macromolecules: Macromolecular conformation and its effect on the sorption of organic contaminants. W. F. Bleam, E. G. Kim, Y. Y. Chien


10:50—6. Soil organic matter characteristics in size fractions of water-stable aggregates and ultrasonically dispersed soils. L. M. Choate, J. F. Ranville, K. A. Thorn, D. L. Macalady, A. L. Bunge

11:10—7. Soot-water distribution coefficients of polycyclic aromatic hydrocarbons in support of the enhanced soot-inclusive partitioning model. T. D. Bucheli, Ô. Gustafsson

11:30—8. Linear and nonlinear sorption of nonpolar and polar organic compounds from water to soil. C. T. Chiou

Section Β Grand Hyatt Independence Ballroom D-E

• Electrochemical Methods for Environmental Analysis of Trace Metal Biogeochemistry T. F. Rozan, M. Taillefert, Organizers 8:30—Introductory Remarks. 8:40—9. Application of in situ electroanalyti-

cal techniques to aquatic and sediment systems. D. B. Nuzzio, M. Taillefert, G. W. Luther III

9:05—10. Electrochemical sensor array for determination of trace metal geochemistry on Mars. S. P. Kounaves, M. G. Buehler, M. H. Hecht, S. J. West

9:30—11. Environmental electrochemistry: Moving the laboratory to the field. J. Wang

9:55—Intermission. 10:15—12. In situ real-time trace element

monitoring in aquatic systems using a submersible voltammetric probe. M-L. Tercier-Waeber, J. Buffle, F. Graziottin, M. Koudelka-Hep

10:40—13. Chemical speciation from in situ voltammetry provides ecological data on biological organisms at hydrothermal vent sites. G. W. Luther III, D. B. Nuzzio, M. Taillefert, S. C. Cary, T. F. Rozan

11:05—14. Novel voltammetric probe for realtime trace element concentration profile measurements at sediment-water interface. M-L. Tercier-Waeber, J. Pei, J. Buffle, G. C. Fiaccabrino, M. Koudelka-Hep, G. Ric-cardi, F. Confalonieri, F. Graziottin

Section C Grand Hyatt Arlington/Cabin John

Scientific Uncertainty and Risk Management J. H. Exner, M. L. Trehy, Organizers 8:3fJ—Introductory Remarks. 8:40—15. Risk management cannot abide

uncertainty. J. D. Wilson 9:05—16. Uncertainty and variability in risk

assessment. A. S. Kao 9:30—17. Role of risk and uncertainty in

groundwater remediation design. B. S. Minsker

9:55—18. Limited life cycle analysis: A tool for the environment. R. P. Vignes

10:20—Intermission. 10:30—19. Case study in risk management

issues: Perchlorate in potable water. Ε. Τ. Urbansky

10:55—20. Uncertainties in assessing new chemicals under the Toxic Substances Control Act. J. V. Nabholz

11:20—21. Scientific and risk issues in climate change. J. I. Steinfeld


• 1990 Clean Air Act Amendments: A Ten-Year Assessment cosponsored with Division of Fuel Chemistry (see page 89)

JULY 24, 2000 C&EN 8 3

ENVR/TECHNICAL PROGRAM

SUNDAY AFTERNOON

Section A Grand Hyatt Independence Ballroom B-C

• Sequestration of Organic Solutes in Natural Organic Matter and Mineral Aggregates J. J. Deitsch, Presiding 1:30—22. Exploiting natural chemical hetero

geneity within a sedimentary deposit to probe controls on nonlinear nonionic organic-pollutant sorption. R. M. Allen-King, D. Mackay

1:50—23. Pyrene sorption to mineral-bound humic substances. J. Hur, M. A. Schlaut-man

2:10—24. Molecular modeling of soot and interactions with polycyclic aromatic hydrocarbons. J. D. Kubicki

2:30—25. Sorption and desorption of hydrophobic aromatic compounds by soil humic substances and other organic materials. B. Xing

2:50—Intermission. 3:10—26. On interpreting sorption and de

sorption rates in geosorbents. J. J. Pig-natello

3:40—27. Modeling resistant desorption. M. B. Tomson, L. Vignona, E. Moore, W. Chen, A. T. Kan

4:00—28. Evaluation of diffusion mechanisms in natural organic matter. K. D. Young, E. J. LeBoeuf

4:20—29. Humic acid aggregation and solubilization of hydrophobic organic pollutants examined with NMR diffusion measurements. B. J. Cutak, C. Larive

4:40—30. Square pegs, round holes, and slow desorption. J. Farrell, J. Luo, J. Curry, P. Blowers


• Electrochemical Methods for Environmental Analysis of Trace Metal Biogeochemistry T. F. Rozan, M. Taillefert, Organizers 1:30—31. Seasonal variations of soluble Fe-

(III) in sediment pore waters as revealed by voltammetric microelectrodes. M. Taillefert, T. F. Rozan, B. T. Glazer, J. Herszage, R. E. Trouwborst, G. W. Luther III

1:55—32. Direct measurement of trace elements in sediment pore water using a solid-state voltammetric microelectrode. B. Sundby

2:20—33. Determination of electrolabile zinc in contaminated sediments using a Hg-lr microelectrode. M. A. Nolan, J-F. Gaillard

2:45—Intermission. 3:05—34. Voltammetric study of dimethylar-

sinylethanol in the stabilization of sulfide in the oxic seawater column. I. Ciglenecki, B. Cosovic, D. Krznaric

3:30—35. Assessment of electroanalytical techniques for the measurement of copper in the presence of natural aquatic organic ligands. H. Mash, Y-P. Chin

3:55—36. Nickel speciation and complex-ation kinetics in freshwater by ligand exchange and DPCSV. H. Xue, S. Jansen, A. Prasch, L. Sigg

4:20—37. Electrochemical evidence suggesting Ag speciation in freshwater will be controlled by sulfide complexation. T. F. Rozan, G. W. Luther III



• Membrane Separation Processes in Aquatic Systems Membrane Fouling

M. Clark, M. Elimelech, G. L. Amy, Organizers M. Elimelech, Presiding

1:30—Introductory Remarks. 1:40—38. Morphology of membrane depos

its. M. R. Wiesner, V. Tarabara, C. Par-ron, J. Y. Bottera

2:20—39. Visualization of colloidal deposition and cake formation on membrane surfaces. M. Clark, K. S. Kim, Y. Lee

2:40—40. Influence of membrane properties, solution chemistry, and hydrodynamics on colloidal fouling of reverse osmosis and nanofiltration membranes. E. M. Vrijen-hoek, M. Elimelech, S. Hong

3:00—41. Humic acid fouling during ultrafiltration. W. Yuan, A. L. Zydney

3:20—Intermission. 3:40—42. Effect of operational parameters

on NOM fouling of a negatively charged NF membrane. A. Seidel, M. Elimelech

4:00—43. Effect of membrane properties on fouling in RO/NF membrane filtration of surficial groundwater. C. Hobbs, S. Hong, J. Taylor

4:20—44. Influence of wastewater secondary effluent on NF and UF membrane filtration. C. Jarusutthirak, G. L. Amy

4:40—45. Testing and prevention of membrane fouling in RO applications using De-quest antiscalants. M. L. Trehy, M. Ledent


SUNDAY EVENING Grand Hyatt Independence Ballroom B-C

Poster Session • Sequestration of Organic Solutes in Natural Organic Matter and Mineral Aggregates

C. J. Werth, E. J. LeBoeuf, Organizers 5:15-7:15 46. Sorption and sequestration of hydroxylat-

ed aromatic compounds by natural geosorbents. H. Selig, A. Orlov, T. M. Keinath II, C. Y. Payne, W. J. Weber Jr.

47. Sequestration of phenolic compounds by natural sorbents via bimessite-induced oxidative coupling. T. M. Keinath II, H. Selig, C. Y. Payne, W. J. Weber Jr.

48. Influence of soils on horseradish peroxi-dase-catalyzed oxidative coupling of phenol. Q. Huang, H. Selig, W. J. Weber Jr.

49. Impacts of charcoal (organic opaque) particles on phenanthrene sorption. H. K. Karapanagioti, J. Childs, D. A. Sabatini, T. Van Doan, G. James

50. Retention of polar/ionogenic pesticides in iron oxide-rich soils. D. Vasudevan, E. M. Cooper

51. Sequestration of pyrene by clay minerals in a natural soil. S. Hwang, N. Ramirez, T. J. Cutright

52. Sorption of polycyclic aromatic hydrocarbons and trace metals on mineral surfaces. S. Yim, M. A. Schlautman, E. R. Car-raway, Β. Ε. Herbert

53. Spectroscopic evidence for a π-cation sorption mechanism for polycyclic aromatic hydrocarbons on hydrated mineral surfaces. D. Zhu, B. E. Herbert, M. A. Schlautman, E. R. Carraway

54. Effect of cosolvent on the sequestration of phenanthrene by soils. X. Liu, A. Li

55. Partitioning of phenanthrene and pyrene to colloids of varying properties during a spring bloom in the coastal Baltic Sea. Ô. Gustafsson, N. Nilsson, T. D. Bucheli

56. Pyrene sorption by natural organic matter. B. Chefetz, M. J. Salloum, A. Desh-mukh, P. G. Hatcher

MONDAY MORNING


• Sequestration of Organic Solutes in Natural Organic Matter and Mineral Aggregates

T. E. M. ten Hulscher, Presiding

8:40—57. Does the rate of sorption equal the rate of desorption? J. A. Smith, T. B. Culver, J. J. Deitsch

9:00—58. PAH sorption to soil minerals low in or free of organic matter: Kinetics and mechanisms. S. Muller, K. U. Totsche, I. Kôgel-Knabner

9:20—59. Predicting long-term desorption kinetics of HOCs sequestered in soils and sediments by superheated water extraction and temperature-programmed desorption. M. D. Johnson, W. J. Weber Jr., T. M. Keinath II

9:40—60. Chemical binding of organic contaminants with organic matter. R. Govind, M. Ramani

10:00—61. Kinetics and thermodynamics of PAH desorption processes from sediment particles. U. Ghosh, R. G. Luthy, J. W. Talley, S. Tucker, J. S. Furey

10:20—Intermission. 10:40—62. Organic sorbate planarity in rela

tion to desorption kinetics and extent of nonlinear sorption in sediments. P. C. M. van Noort, A. Belfroid, G. Cornelissen, T. E. M. ten Hulscher, H. Rigterink, B. A. Vrind

11:00—63. Effect of solute concentration on sorption and desorption kinetics of organic compounds in soils. J. C. White, W. J. Braida, F. J. Ferrandino, J. J. Pignatello

11:20—64. Formulation and evaluation of a distributed-rate sorption model configured in series. J. J. Deitsch, J. A. Smith, T. B. Culver

11:40—65. Sorption of toluene on humin and montmorillonite under dry and humid conditions traced by microbalance and FTIR. S-C. Wu, Y-H. Shin, M-L. Chang, P-J. Chen


• Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry P. Adriaens, P. G. Tratnyek, E. E. Roden, Organizers P. G. Tratnyek, Presiding 8:30—Introductory Remarks. 8:55—66. Probing the reactivity of mineral-

bound ferrous iron by using nitroaromatic and polyhalogenated compounds. R. Schwarzenbach, T. B. Hofstetter, M. Eisner, S. B. Haderlein

9:20—67. Reductive dehalogenation of halomethanes in natural and model systems: QSAR analysis. J. F. Kenneke, E. J. Weber

9:45—68. Limitations on rates of transformations of polyhalogenated aliphatic compounds in heterogeneous systems. R. Venkatapathy, J. A. Periinger

10:10—69. QSAR analysis of sorption-corrected rate constants for reductive biotransformation of halogenated aromatics. C. L. Tebes-Stevens, W. J. Jones

10:35—Intermission. 11:00—70. Redox reactions of iron(ll)-

iron(lll) hydroxides (green rusts). H. C. B. Hansen, C. B. Koch, M. Erbs, J. Dickow, S. Guldberg

11:25—71. Characterization of reactive transition-metal precipitates using scanning transmission X-ray microscopy. K. Pécher, Ε. Kneedler, D. McCubbery, G. Meigs, B. Tonner

11:50—72. EXAFS study of zinc speciation in anaerobic microbes. S. M. Webb, J-F. Gaillard, M. A. Nolan, Β. Ε. Jackson, D. Α. Stahl


• Membrane Separation Processes in Aquatic Systems Membrane Characterization and Performance

G. L. Amy, Presiding

8:30—Introductory Remarks. 8:35—73. Relating membrane synthesis to

membrane performance. F. A. DiGiano, B. D. Freeman, J. M. DeSimone, M. Arnold, K. Nagai, A. Roudman

9:15—74. Concentration polarization of interacting colloidal particles: Influence of inter-particle and hydrodynamic interactions on permeate flux. S. Bhattacharjee, M. Elimelech


9:35—75. Measuring diffusivity of humic acid and modeling adsorptive fouling of ultrafiltration membranes by humic acid. M. Clark, Y. Wang, C. Combe

9:55—76. Optimizing rejection in nanofiltration membranes by increasing surface charge. K. L. Jones, C. Taylor, K. Brown

10:15—Intermission. 10:35—77. Use of surfactants to modify neg

atively charged ultrafiltration membranes for perchlorate removal. Y. Yoon, J. Yoon, G. Amy, S. Liang, J. Pellegrino

10:55—78. Characterizing complex solute mixtures using field flow fractionation. S. C. Wright, G. L. Amy, J. Pellegrino, J. F. Ranville

11:15—79. Microporous membrane failure in water reuse applications. E. G. Kapiloff, A. E. Childress, S. S. Deshmukh

11:35—80. Analytical separation and precon-centration of trace metals by newly emerging carrier-aided transport through permeation liquid membrane for free metal ion determination in natural waters. N. Parthasarathy, F. Guyon, M. Pelletier, J. Buffle

MONDAY AFTERNOON


• Sequestration of Organic Solutes in Natural Organic Matter and Mineral Aggregates J. C. White, Presiding 1:30—81. Predicting sequestration effects for

hydrophobic organic chemicals: A mountain of research and a modicum of application. W. P. Ball, P. C. D'Adamo, M. R. Paraskewich Jr., E. J. Bouwer

2:00—82. Aqueous-phase desorption rates of a hydrophobic compound from California soils. N. Watanabe, T. M. Young

2:20—83. Inhibited degradation of hydrophobic pollutants sequestered by natural organic matter. M. A. Tarr, G. Xu, Z. R. Laughrey, R. Jones, E. Bear

2:40—84. Two-phase groundwater remediation management incorporating nonequi-librium desorption effects. T. C. Harmon, J. A. Saez

3:00—Intermission. 3:20—85. Mass transfer limitations on bio

availability of PAHs from contaminated es-tuarine sediments. D. S. Kosson, L. M. Shor, K. J. Rockne, W. Liang, G. L. Tag-hon, L. Y. Young

3:40—86. Assessing bioavailabilty of phenanthrene sorbed to soils. W. J. Braida, J. White, J. J. Pignatello

4:00—87. Model coupling intraparticle diffusion/sorption, nonlinear sorption, and biodégradation processes. H. K. Karapanagioti, C. M. Gossard, K. A. Strevett, R. L. Kolar, D. A. Sabatini

4:20—88. Formation of nonextractable PAH residues in sewage-sludge-amended soil. G. L. Northcott, K. C. Jones

4:40—89. Modeling the desorptive release of nonionic organic contaminants in heterogeneous soil matrices. L. W. Lion, A. Liu, l-S. Ahn, M. L. Shuler


• Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry E. J. Weber, Presiding 1:30—Introductory Remarks. 1:55—90. Hydrogen cycling in dechlorinating

ecosystems. J. Dolfing 2:20—91. Comparison of hydrogen concen

trations in PCE-dehalogenating and sulfate-reducing estuarine sediments. C. S. Mazur, W. J. Jones

2:45—92. Biotic and abiotic degradation of 1,1,2,2-tetrachloroethane in wetland sediments: Geochemical and microbial community analyses. M. M. Lorah, M. A. Voytek, J. Kirshtein

3:10—93. Intramolecular stable chlorine isotope effects from the abiotic dehydrochlori-nation of DDT. C. M. Reddy, N. J. Drenzek, L. J. Heraty, N. C. Sturchio, T. I. Eglinton


8 4 JULY 24, 2000 C&EN

4:00—94. Abiotic and biotic transformations of chlorinated compounds under iron and sulfate reducing conditions. K. F. Hayes, P. Adriaens, E. C. Butler, M. L. McCor-mick, K. L. Skubal, H. Y. Jeong

4:25—95. Abiotic reductive dechlorination of chlorinated ethylenes by iron-bearing soil minerals and potential interactions with biotic processes. W. Lee, B. Batchelor

4:50—96. Recognition and quantitation of biotic and chemical interactions during diox-in reactivity in sediments. P. Adriaens, Q. S. Fu, A. L. Barkovskii



Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan Biogeochemistry of Manganese

J. Hering, J. L. Schnoor, Organizers J. L. Schnoor, Presiding

1:30—Introductory Remarks. 1:40—97. Manganese speciation and redox

reaction kinetics in natural waters. J. J. Morgan

2:20—98. Redox dynamics of iron and manganese crusts in recent sediments of Lake Baikal. B. Wehrli, B. Mueller, L. Granina

2:40—99. Manganese cycling in mountain streams. D. T. Scott, D. M. McKnight, D. C. Hrncir, B. M. Voelker

3:00—100. Sediment flux model for manganese. D. M. Di Toro, S. A. Lowe, J. J. Fitzpatrick, R. R. Isleib

3:20—Intermission. 3:40—101. Reactive transport modeling of

trace elements in the water column of a stratified lake: Iron cycle and metal scavenging. M. Taillefert, J-F. Gaillard

4:00—102. Role of trivalent manganese in oxidation of organic matter. C. J. Mato-cha, D. L. Sparks

4:20—103. Biological effects on the pH-dependent reactivities of Fe and Mn oxy-hydroxides in aquatic environments. Y. M. Nelson, A. R. Wilson, L. W. Lion

4:40—104. New insights into the diversity of genes and enzymes involved in bacterial Mn(ll) oxidation. C. A. Francis, B. M. Tebo

5:00—105. Kinetics and products of Mn oxide biomineralization by spores of the marine Bacillus sp. strain SG-1. J. R. Bargar, B. M. Tebo, K. H. Pécher, V. Chiu, J. E. Villinski, B. P. Tonner

A Catalysis



• Environmental

H Materials

* Pharmaceuticals & Life Sciences


MONDAY EVENING


Poster Session • Sequestration of Organic Solutes in Natural Organic Matter and Mineral Aggregates

C. J. Werth, E. J. LeBoeuf, Organizers 5:15-7:15 106. Effect of changing organic matter during

land biotreatment on PCB desorption equilibrium, kinetics, and availability. U. Ghosh, A. S. Weber, J. N. Jensen, J. R. Smith

107. Contaminant distributions over particle size and density fractions in sediments: Lab-scale separation procedures, a closer look at the 'lines", and validity of conventional screening analytes. T. J. Olin-Estes, S. E. Bailey, J. M. Brannon

108. π-π Charge-transfer interaction between phenanthrene and model electron acceptor humic subunits. H. Wijnja, J. J. Pig-natello

109. Extended dual-mode sorption of organic chemicals on soil organic matter. J. Pig-natello, G. Xia

110. Experimental studies and molecular modeling of sorption hysteresis in soil organic matter. A. Neimark, P. I. Raviko-vitch, A. Vishnyakov, R. Russo, J. J. Pig-natello, W. Braida

111. Dual-mode diffusion model for nonlinear sorption and desorption of hydrophobic contaminants in soils. D. Zhao, J. J. Pig-natello, J. White, W. Braida, F. Ferrandino

112. Influence of long contact times on desorption kinetics of spiked HCB and PCB-28 from Lake Ketelmeer sediment. T. E. M. ten Hulscher, B. A. Vrind, H. van den Heu-vel, P. C. M. van Noort, H. A. J. Govers

113. In situ XAD resin adsorption method for determining partition coefficients and desorption kinetics of soil aged PAHs. G. L Northcott, K. C. Jones

114. Effects of concentration and incubation time on the slow desorption of TCE from soil. K. M. Hansen, C. J. Werth

115. Effect of aging and temperature on resistant desorption. L. L. Cong, A. T. Kan, C. Y. Wang, S. Friedfeld, D. Beckle, M. B. Tomson

116. Nonsingular sorption of organic compounds in soil: The role of slow kinetics. S. Altfelder, T. Streck

Section Β Convention Center Exhibit Hall D

Sci-Mix M. L. Trehy, Organizer 8:00-10:00 49, 53,115. See previous listings. 208-210, 212, 213, 221, 223-228, 236, 239,

245, 246, 258, 260, 263, 268, 275, 280, 285, 296, 300, 303, 305, 313, 314, 316, 323, 326. See subsequent listings.

TUESDAY MORNING


Environmental Chemistry Awards Symposium T. A. Anderson, Organizer 9:00—Introductory Remarks. 9:05—117. Abiotic reduction of the pesti

cides oxamyl and methomyl by Fe(ll): Reaction kinetics and mechanism. T. J. Strathmann, A. T. Stone

9:30—118. Electrokinetic water splitting at bipolar interfaces of ion-exchange membranes and soils. B. Desharnais, B. Lewis

9:55—119. Intercalibration of LABs in marine sediment SRM1941A and their application as a molecular marker in Narragansett Bay sediments. P. Hartmann, J. Quinn, J. King, S. Tsutsumi, H. Takada


10:40—120. Kinetic distribution of substrate oxidation potential as a function of geosor-bent characteristics: Implication for contaminant bioavailability and kinetic end-points. A. N. Rihana, P. Adriaens

11:05—121. Vapor pressures of polycyclic aromatic hydrocarbons (PAHs), polychlori-nated dibenzodioxins (PCDDs), and poly-chlorinated dibenzofurans (PCDFs): Measurements and evaluation of estimation techniques. B. Mader, J. F. Pankow


Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry Ε. Ε. Roden, Presiding 8:30—Introductory Remarks. 8:55—122. Redox conditions and the effi

ciency of chlorinated ethene biodégradation: Field studies. F. H. Chapelle, P. M. Bradley

9:20—123. Redox conditions and the efficiency of chlorinated ethene biodégradation: Laboratory studies. P. M. Bradley, F. H. Chapelle

9:45—124. Field study to correlate chlorinated solvent concentrations and microbial distributions in the unsaturated zone. S. J. Grim-berg, S. E. Powers, M. Denham, K. Chen

10:10—125. Tetraalkoxysilanes as slow-release substrates to promote aerobic and anaerobic dehalogenation reactions in the subsurface. L. Semprini, S. Vancheeswa-ran, S. Yu, M-Y. Chu, R. U. Halden

10:35—Intermission. 11:00—126. Some abiotic and biotic ramifi

cations of pulsed carbon additions to aquifers. J. F. Devlin, R. Gierczak

11:25—127. Molecular probe studies of contaminant transformation in reducing sediments: Hydride transfer and dehydrogenase activity. P. G. Tratnyek, T. E. Reil-koff, J. Z. Bandstra, R. Miehr

11:50—128. Biogeochemical processes involving dissimilatory iron-reducing bacteria can influence the transformation of carbon tetrachloride by iron metal. R. Gerlach, A. B. Cunningham, F. Caccavo Jr.

12:15—129. Fate of carbon tetrachloride in a defined iron-reducing culture: Product formation via biotic and abiotic pathways. M. L. McCormick, P. Adriaens

Section C

Grand Hyatt Arlington/Cabin John

• Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan Speciation and Bioavailability

J. Hering, Presiding

8:30—Introductory Remarks. 8:40—130. Biochemistry and geochemistry

of cadmium. F. M. M. Morel 9:2fJ—131. Phosphorus speciation in soil-

water-sediment ecosystems: Implications for Ρ reactivity and bioavailability. P. L Brezonik, A. Fang, L. K. Hatch, K. Pilgrim

9:40—132. Influence of chemical speciation on bioluminosity. T. L. Theis, D. A. Moye

10:00—133. Microscale PAH location and association with organic matter and effects on biotreatment and bioaccumulation. R. G. Luthy, U. Ghosh, J. S. Gillette, R. N. Zare, J. W. Talley, S. Tucker

10:20—Intermission. 10:40—134. Iron speciation and its bioavail

ability in the Sea of Galilee (Lake Kinne-ret), Israel. Y. Hareli, Y. Erel, A. Sukenik

11:20—135. Interpreting metal complexation data in coastal waters. B. M. Voelker, M. B. Kogut


11:40—136. Kinetics of Fe(ll) removal from seawater in the absence and presence of organic matter. T. D. Waite, P. Som-pongchaiyakul, A. N. Pham

12:00—137. Development of permeation liquid membrane systems for in situ trace metal speciation in water. P. Salaun, N. Parthasarathy, G. Lagger, M. Martin, J. Buffle, P. Thiébaud, M. Koudelka, H. P. van Leeuwen

TUESDAY AFTERNOON

Section A

Grand Hyatt Independence Ballroom B-C

Environmental Chemistry: Emphasis on EPA and EPA-Supported Research Soil/Sediment: Fate and Transport

R. L. Lipnick, B. Karn, Organizers R. L. Lipnick, Presiding

1:30—Introductory Remarks. 1:40—138. Historical reconstruction of pollu

tion stress and recovery in an urban estuary. J. S. Latimer, W. S. Boothman, S. Jayaraman, R. A. McKinney, D. J. Cobb

2:05—140. Environmental monitoring of remedial dredging at New Bedford Harbor, Mass., Superfund site. B. J. Bergen, W. G. Nelson, J. Mackay, D. Dickerson

2:30—Intermission. 2:45—141. Assessing atrazine input and re

moval processes in the Chesapeake Bay environment. H. Salmun, Y. Farhan

3:10—142. Effects of soil/sediment organic matter on mineralization, desorption, sequestration, and transformation of phenanthrene. S. B. Soderstrom, A. D. Lueking, M. Kim, W. Huang, W. J. Weber

3:35—139. Complexes between phos-phonate-containing synthetic organic compounds and the toxic metal ions Cr(lll) and Co(lll): Sources and sinks in environmental media. A. T. Stone, R. L. Penn, M. A. Knight

4:00—143. Factors affecting rates and pathways in the reductive transformation of tri-chloroethylene. E. C. Butler, K. F. Hayes


• Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry T. H. Christensen, Presiding 1:30—Introductory Remarks. 1:55—144. Modeling biogeochemical inter

actions in co-contaminant systems. J. M. VanBriesen, Β. Ε. Rittmann

2:20—145. Simulating the biodégradation of toluene at the macroscopic- and pore-level scale for aerobic and nitrate reducing conditions. H-S. Kim, P. R. Jaffe

2:45—146. Near-equilibrium of microbially mediated redox couples in reducing groundwater environments. J. W. Washington

3:10—147. Transverse dispersion in aquifers: Contaminant transport across the capillary fringe—mixing of electron acceptors and donors in plumes. P. Grathwohl, I. D. Klenk

3:35—Intermission. 4:00—148. Probing chemical-microbiological

interactions using atomic force microscopy. B. E. Logan, K. Shellenberger

4:25—149. Microbial colonization on fractured chalk and its effect on degradation of organic contaminants: Batch adhesion experiments and column model development. S. Arnon, I. Saadi, Z. Ronen, E. Adar, A. Nejidat

4:50—150. Effect of environmental factors on the transport of viruses in subsurface systems. S. Chattopadhyay, G. P. Brei-denbach, W. G. Lyon, J. T. Wilson

5:15—151. Encapsulation technology controls pH in flow-through columns during denitrification. C. M. Rust, C. M. Aelion, J. R. V. Flora

JULY 24, 2000 C&EN 8 5

ENVRATECHNICAL PROGRAM


• Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan Complexation, Sorption, and Surface Reactions

K. F. Hayes, Presiding 1:30—Introductory Remarks. 1:40—152. Influence of coordination chemis

try on transition-metal ion reactivity. A. T. Stone

2:20—153. Dissolution and transformation rates of uranyl mineral phases. D. E. Giam-mar, J. Hering

2:40—154. Competitive adsorption of inorganic arsenic species on oxides and clay minerals. S. Goldberg

3:00—155. Modeling silica sorption to ferric hydroxide. C. C. Davis, M. Edwards, H-W. Chen, W. R. Knocke

3:20—Intermission. 3:40—156. Modeling bidentate adsorption: A

return visit to the theater of the adsorb. M. M. Benjamin

4:00—157. Mercury(ll) sorption to two Florida Everglades peats. R. T. Drexel, G. R. Aiken, K. L. Nagy, J. N. Ryan

4:20—158. Dicarboxylate ligands adsorbed to hematite: Surface complexation structures inferred from ATR IR spectra. S. T. Martin, O. W. Duckworth

4:40—159. Copper and natural organic matter: The complexities of complexation. D. L. Macalady, J. F. Ranville, F. D. M. Vas-concelos, M. Skold

5:00—160. Studies of the effects of pH on complexation of copper with NOM by EXAFS and XANES. G. V. Korshin, A. I. Frenkel

WEDNESDAY MORNING


• Environmental Chemistry: Emphasis on EPA and EPA-Supported Research Soil/Sediment: Fate and Transport

A. T. Stone, Presiding 8:30—Introductory Remarks. 8:40—161. Arsenic speciation methods for

studying the environmental fate of or-ganoarsenic animal-feed additives. E. Heithmar, G-M. Momplaisir, C. Rosal

9:05—162. Understanding mass transfer at the pore scale. A. A. Keller, S. Sirivithay-apakorn

9:30—163. Development of speciation-based metal exposure and transformation assessment model (META4): Application to copper and zinc problems in the Alamosa River, Colorado. A. J. Medine

9:55—Intermission. 10:10—164. Bioturbation-driven transport of

hydrophobic organic contaminants from bed sediment. L. Thibodeaux, K. T. Valsa raj, D. D. Reible

10:35—165. Chromatographic alteration of humic acid during transport in DNAPL-contaminated sediment. G. Bao, W. W. John, W. P.Johnson

11:00—166. Influence of wetting-phase connectivity on fluid-fluid interfacial area during drainage of a porous medium. S. Bryant

11:25—167. Influence of nonionic surfactants on bioavailability of chlorinated benzenes for microbial reductive dechlorination. K. D. Pennell, A. Karagunduz, D. H. Yeh, C. A. Martin, Ε. Κ. Chang, S. G. Pav-lostathis


• Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry P. Adriaens, Presiding 8:30—Introductory Remarks. 8:55—168. Effects of dissolved organic car

bon on heavy metal mobility in leachate pollution plumes. T. H. Christensen, Z. Cai, J. B. Hansen

9:20—169. Abundance of heavy metal resistance plasmids in subsurface microbial communities under varying degrees of cadmium stress. J. B. Morrow, B. F. Smets

9:45—170. Seasonal variation of bioavailability of NAPL in the vadose zone. A. A. Keller, P. A. Holden

10:10—171. Fate of anthracene in contaminated soil: Transport and biodégradation under unsaturated flow conditions. K. U. Totsche, I. Kôgel-Knabner, H. Weigand, E. Annweiler, H-H. Richnow, W. Michaelis

10:35—Intermission. 11:00—172. Biotic degradation in a thick,

surficially weathered glaciolacustrine aqui-tard contaminated with DNAPL. V. Lane, B. L. Parker, J. A. Cherry

11:25—173. Modeling the effects of metal complexation and precipitation on EDTA biodégradation. A. I. Willett, Β. Ε. Ritt-mann

11:50—174. Metabolic characteristics of an enhanced biological phosphorus-removal process induced by glucose. N. Wang, G. Hill, J. Peng

12:15—175. Accelerated calcium carbonate precipitation by aquifer microorganisms: A possible in situ remediation technique for radionuclides and metals. Y. Fujita, F. G. Ferris, F. S. Colwell, J. C. Ingram, R. W. Smith


• Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan Molecular Characterization; Aggregation Processes

Β. Μ. Voelker, Presiding 8:30—Introductory Remarks. 8:40—176. Determination of metal speciation

by quick X-ray absorption spectroscopy. J-F. Gaillard, S. M. Webb

9:00—177. Planar oxides as proxies for sediment particle surfaces in metal ion sorption studies. C. J. Chisholm-Brause, C. F. Conrad, M. J. Kelley

9:20—178. Molecular investigation of sulfate complexation on Fe oxide surfaces. S. C. B. Myneni, G. A. Waychunas, S. J. Traîna, G. E. Brown Jr.

9:40—179. Iron hydroxide solubility and morphology as examined by ESEM. X. Liu, F. J. Millero

10:00—180. Spectroscopic and chemical evidence of Cu-alumina dynamics in aged colloidal systems. C. E. Martinez, M. B. McBride

10:20—Intermission. 10:40—181. Evaluation of the mass action

expression coefficients for multidentate complexation on mineral surfaces. G. D. Redden, R. A. LaViolette

11:00—182. Modeling coagulation and the removal of material from planktonic marine systems. G. A. Jackson

11:40—183. Aggregation of colloidal particles and breakup of aggregates. C-J. Chin, S. Yiacoumi, C. Tsouris

12:00—184. Small-angle neutron scattering investigations of Suwanee River fulvic acid aggregates in aqueous solutions. M. S. Di-allo, C. J. Glinka, W. A. Goddard, J. H. Johnson

WEDNESDAY AFTERNOON


• Environmental Chemistry: Emphasis on EPA and EPA-Supported Research Atmospheric Fate and Transport

R. Atkinson, Presiding

1:30—Introductory Remarks. 1:40—185. Products of OH radical-initiated

reactions of p-xylene and 1,2,3- and 1,2,4-trimethylbenzene. H. L. Bethel, R. Atkinson, J. Arey

2:05—186. Atmospheric chemistry of hy-droxycarbonyls. S. M. Aschmann, J. Arey, R. Atkinson

2:30—187. Kinetics of reactive uptake of ozone on oleic acid aerosols. W. S. Barney, J. W. Morris, Q. Shi, J. T. Jayne, J. L Jimenez, C. E. Kolb, P. Davidovits, G. R. Cass, D. R. Worsnop

2:55—Intermission. 3:10—188. Mercury speciation and fluxes in

and around Baltimore: Assessing the urban signal. R. P. Mason, G-R. Sheu, N. M. Lawson

3:35—189. Measurement of polycyclic aromatic hydrocarbons associated with size-segregated soot particles. X. Zhang, K. A. Smith, J. Jiminez, J. T. Jayne, D. R. Worsnop, C. E. Kolb

4:00—190. Investigations of the chemistry of secondary aerosol formation using thermal desorption particle beam mass spectrometry. P. J. Ziemann, H. J. Tobias, K. S. Docherty, D. E. Beving, S. Chattopadhyay


• Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry W. D. Burgos, Presiding 1:30—Introductory Remarks. 1:55—191. Effect of Geobacter species on

the fate of metal and organic contaminants in the subsurface. D. R. Lovley

2:20—192. Influence of iron (hydr)oxides on the reductive stabilization of heavy metals and radionuclides. B. W. Wielinga, C. M. Hansel, S. E. Fendorf

2:45—193. Iron-reducing bacteria facilitate the geochemical elimination of Cr(VI) from contaminated water. R. Gerlach, J. L. Ny-man, F. Caccavo Jr., A. B. Cunningham

3:10—194. Immobilization of aqueous strontium during carbonate mineral formation coupled to microbial Fe(lll) oxide reduction. E. E. Roden, F. G. Ferris

3:35—Intermission. 4:00—195. Biogeochemical processes con

trolling trace metal fluxes from Fe(lll) oxides during bacterial reduction. J. M. Zach-ara, J. Fredrickson, S. C. Smith, R. K. Kukkadapu

4:25—196. Structural environment of micro-bially produced chromium precipitates. C. M. Hansel, B. W. Wielinga, S. E. Fendorf

4:50—197. Kinetic study of goethite biore-duction by an iron-reducing bacterium. C. Liu, S. Kota, J. M. Zachara, J. Fredrickson

5:15—198. Biogeochemical degradation of redox-sensitive compounds using iron oxide and Geobacter metallorecudens GS-15. K. B. Gregory, B-T. Oh, Μ. Μ. Scher-er, G. F. Parkin, P. J. Alvarez



• Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan Colloid Transport and Water Technology

M. R. Hoffmann, Presiding 1:30—Introductory Remarks. 1:40—199. Some chemical aspects of colloid

deposition and reentrainment. C. R. O'Melia, A. Franchi

2:20—200. Insignificant role of mineral grain ζ-potential to colloid transport in geochem-ically heterogeneous subsurface porous media. M. Elimelech, C-H. Ko

2:40—201. Influence of surface speciation on the release of dissolved iron and ferri-hydrite colloids from porous media. A. D. Hofmann, L. Liang

3:00—202. Role of ligands for the mobility of metals in groundwater: Model studies with natural ligands. D. Weirich, L. Sigg, H. Xue, R. Hari, P. Behra

3:20—Intermission. 3:40—203. Chemical aspects of sedimenta

tion. D. F. Lawler, P. Brown 4:00—204. Evolution of arsenic speciation in

sediments deposited by in situ treatment of surface water for arsenic removal. P. E. Kneebone, J. Hering, N. L. Jones, P. O'Day

4:20—205. Back to the basics: Applying fundamental water chemistry to water quality in a distribution system. W. Sung

4:40—206. Redox processes and natural amelioration of acidic deep-mine discharges. D. A. Dzombak, D. C. Lambert, M. G. Paschka, W. W. Aljoe

5:00—207. Effects of temperature and chemical treatment on the formation of haloge-nated disinfection by-products from ozonation of raw waters. X. Zhang, S. Echigo, H. Lei, M. E. Smith, R. A. Minear

WEDNESDAY EVENING

Section A Convention Center Exhibit Hall D

General Posters Environmental Analysis: Trends and New Analytical Techniques

R. A. Hathaway, M. L. Trehy, Organizers 5:00-7:00 208. Becoming a certified environmental an

alytical chemist or environmental analytical technician. R. A. Hathaway, G. E. Smith

209. Can calcium oxalate residues from lichen activity reflect past climate change? S. Moore, M. J. Beazley, M. R. McCallum, J. Russ

210. Historical trends in trace metal contaminants of the Elizabeth River subestuary, Chesapeake Bay, Virginia. C. F. Conrad, C. J. Chisholm-Brause, J. Daus, D. C. Fu-gate, S. A. Kuehl

211. Screening of compost and sewage sludge for polycyclic aromatic hydrocarbons and pesticides using subcritical water extraction. A. E. McGowin, A. K. Obubuafo, Κ. Κ. Adorn

212. Steady-state determination of hydroxyl radicals produced by the photolysis of dissolved organic matter. E. M. White, Y-P. Chin

213. Changes in the efficiency of Soxhlet and microwave extraction of pesticides from soil and model solids over time. Β. Κ. Kramer, P. B. Ryan

214. Environmental chemistry at a synchrotron: Tomography and fluorescence spectroscopy profiling. L. G. Butler, F. K. Cart-ledge, E. F. Emery, B. S. Crannell, T. T. Eighmy

215. Shipboard determination of iron in sea-water by flow injection analysis. D. A. Weeks, K. W. Bruland

216. Comparative analysis of Silcosteel coated sample pathway and electroform nickel sample pathway in the Tekmar 3100 sample concentrator. M. Krigbaum, G. Smith, E. T. Heggs

8 6 JULY 24, 2000 C&EN

217. Determination of benzalkonium chloride in river water and sewage effluent by solid-phase extraction and gas chromatog-raphy/mass spectrometry. W-H. Ding

218. Analysis of aliphatic and alicyclic di-carboxylic anhydrides in air by gas chromatography/quadrupole mass spectrometry. A. Z. Khan, F. Bozek, J. Solomon, P. S. Chopra

219. Research design and methodology for a remote-sensing system. G. M. Lane

Remediation and Fate of Metals in the Environment

220. Biosorption of heavy metals by immobilized microorganism on agricultural wastes. H. Buyukgungor

221. Heavy metal species in sediments of Lake Suffer See, Germany. A. Becker, W. Klôck, M. C. Duff

222. Iron and manganese remobilization during resuspension of anoxic sediments in the Seine estuary waters. B. Ouddane, M. Skiker, J. Halwani, M. Wartel

223. Partitioning of copper onto suspended particulate matter in river waters. Y. Lu, H. Ε. Allen

224. Photoreduction of Cr(VI) to Cr(lll) by dissolved organic matter and iron. M. A. Ga-berell, Y-P. Chin, S. Hug, B. Sulzberger

225. Moisture dependency of uranium(VI) sorption in unsaturated sediments. D. M. Wellman, A. P. Gamerdinger, D. I. Kaplan, R. J. Seme

226. Technetium-99m as a radiotracer for hy-drological studies. J. A. Gawenis, S. S. Jurisson, E. R. Landa

227. Interfacial reaction studies of plutonium on manganese oxide hydroxide mineral surfaces. D. A. Shaughnessy, H. Nitsche, R. J. Serne, C. H. Booth, D. K. Shuh, G. A. Waychunas, H. S. Gill

228. Levels of cesium-137 in relation to land use patterns. M. Y. Z. Aboul Eish, M. J. M. Wells, G. K. Stearman, D. D. Ensor, M. M. Hindi

Remediation and Fate of Organice in the Environment

229. Photochemistry of perylene adsorbed on models of atmospheric particulate matter. P. Sotero, R. Arce

230. Direct photocatalytic degradation of polyvinyl chloride). J. C. Yu, L. Liu

231. Air permeability measurement in heterogeneous soil. M. S. Olson, J-W. Choi, F. D. Tillman Jr., J. A. Smith

232. Measurement of effective air diffusion coefficients for trichloroethylene in heterogeneous soil. S. L. Bartelt, J. A. Smith

233. Unsaturated-zone airflow: Implications for natural remediation of groundwater by contaminant transport through the subsurface. J-W. Choi, F. D. Tillman Jr., W. Katchmark, J. A. Smith

234. Destructive treatment of wastewater containing organic pollutants. V. Covaliov

235. Bound residues of naphthalene and phenanthrene in marine sediment. S. D. Kohl, M. C. Gabbert, J. A. Rice

236. Sorption of chlorpyrifos to California soils and implications for organic matter binding. A. L Sayers-Fay, L. Schultz, O. Tuli

237. Destruction of fréons using an elec-trodeless plasma torch. A. Bagla, A. A. Khan, A. Y. Wong

238. Degradation of PCBs sorbed to surfaces using modified Fenton chemistry. J. Lu, M. A. Tarr

• Catalysis



• Environmental


Sciences


239. Bench-scale investigation of catalytic dehalogenation of chlorinated ethenes with palladium metal: Reaction byproducts and pathways. A. Agrawal, S. Niekamp, K. Boggs, M. Goltz

240. Destruction of dioxins using an elec-trodeless plasma torch. S. T. Patei, A. A. Khan, A. Y. Wong

241. Effect of natural organic matter on the degradation of chlorinated phenoxyacetic acids with Fenton's reagent. G. Xu, M. A. Tarr

242. Sonochemical degradation of PAHs: Mechanisms and influence of dissolved organic compounds. Z. R. Laughrey, E. Bear, R. Jones, M. A. Tarr

Pollution Prevention: Sustainable Chemistry

243. Solid supported organotin hydrides for hydrogénation of fine chemicals. S. C. Tsang, Q. J. Fu, A. M. Steele

244. Oxidative chemical recycling of polyethylene. J. E. Remias, T. A. Pavlosky, A. Sen

245. Synthesis of calcium silicate cements from rice hull ash: The effect of phosphate replacement. F. A. Rodrigues

246. Production of acetate for use as a roadway deicer by wet oxidation of organic waste. F. Jin, A. Kishita, T. Moriya, H. Enomoto, N. Sato

247. Reduction of mercury loss in a chlor-alkali plant. M. Moussavi

248. Treatment of formaldehyde-containing effluents. M. Moussavi, H. Edraki, D. Mowla

Potable Water: New Technology and Processes

249. Absorbent materials for fluoride removal from drinking water. T. M. Abdel-Fattah, T. Edwards

250. Effect of cationic polymer additives on the adsorption of humic acid onto iron oxide particles. E. K. Kim, H. W. Walker

251. Formation of CNBr in (VNH2CI sequential disinfection. H. Lei, R. A. Minear, B. J. Marinas

252. Monitoring of trace levels of perchlorate by ion chromatography and an ion-selective electrode. R. H. Smith, G. B. Martin, L. N. Cook

Predicting Ecological Effects and Endocrine Disrupters in the Environment

253. Forensic investigations in environmental enforcement: Source-receptor studies. S. D. Machemer, T. J. Hosick, R. L. Inga-mells

254. Effects of Dimilin at varying concentrations below 0.01 pg/L on Procambarus clarkii: Analysis of organism life span and functional impairment. S. A. Jones, D. Ross, R. H. Miller II

255. Estimation of land use-specific organo-phosphorus insecticide loadings from a multiple-use watershed. J. A. Pedersen, M. A. Yeager, J-S. Ma, H-H. Lee, M. K. Stenstrom, I. H. Suffet

256. Effects of arsenic on Poecilia reticulata: Ecotoxicity and biomagnification in the aquatic food chain in southeast New Orleans. L. R. Brown III, Q. C. Brown, R. H. Miller

257. Effects of varying concentrations of methyl mercury on Poecilia reticulata: Ecotoxicity changes in the aquatic food chain. L. R. Brown III, S. A. Jones, R. Williams

258. Hemolysis assays of Nannochloris sp., a potential red-tide control agent. M. L. Derby, D. F. Martin, J. J. Krzanowski

259. Heterogeneous photochemical processing of the endocrine disrupters chrysene and endosulfan in estuarine environments. S. S. Walse, L. Kong, J. L. Ferry

260. Endocrine disrupters (octy I phenol, non-ylphenol, nonylphenol ethoxylates, and polybrominated diphenyl ethers) in land-applied sewage sludge "biosolids." M. J. La Guardia, R. C. Hale, E. Harvey, T. M. Mainor

261. Environmental distribution of suspect endocrine disrupters di(n-butyl)phthalate and di(2-ethylhexyl)phthalate in Japan. K. Yano, K. Asaoka, T. Moriguchi, Y. Sakamoto, H. Katayama

262. Concentration and removal of endocrine disrupters by pervaporation through hydrophobic membranes. T. Asano, B-O. Yoon, M. Hara, A. Higuchi

263. Uptake, distribution, and liver induction in Sprague-Dawley rats orally dosed with the polychlorinated terphenyl formulation Aroclor 5432. J. J. Pagano, J. Olson, P. W. Stewart, R. N. Roberts, D. Sargent, H. B. Daly

• Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan

264. Development of a database for sorption modeling on manganese oxide. J. W. Tonkin, L. S. Balistrieri, J. W. Murray

265. Adsorption of hydroxy pyridines and quinolines onto metal oxides. D. Vasude-van, P. J. Dorley, X. Zhuang

266. Counterintuitive oxidation of antimony in sulfidic waters. N. E. Capps, G. R. Helz

267. Mineral oxide catalysis of thiomolybdate interconversions. T. P. Vorlicek, G. R. Helz

268. Photochemical transformation of agricultural pesticides promoted by natural water constituents in wetland surface water. P. L Miller, Y-P. Chin

269. Constituting an adsorption profile of humic acid on semiconductor powders. S. A. Suphandag, M. Bekbôlet

270. Comprehensive biological and chemical model for in situ biodégradation of BTEX: The CBC model. M. Maurer, B. E. Ritt-mann

271. Analytical electron microscopy characterization of zinc speciation in a contaminated system. S. M. Webb, J-F. Gaillard, G. G. Leppard

272. Aqueous speciation and adsorption behavior of aminocarboxylate chelating agents in Fe(lll) (hydr)oxide suspensions: Compound-to-compound comparisons. C. F. Whitehead, A. T. Stone

273. Cu(ll) sorption to composite mineral phases. K. U. Duckenfield, C. J . Chisholm-Brause

274. Effects of mineral surfaces on chromi-um(VI) reduction by hydrogen sulfide. Q. Zhou, C. Kim, B. Deng, E. C. Thornton

275. Electrochemical reactions of selected disinfection by-products. G. V. Korshin, M. D. Jensen

276. Equilibria and kinetics of copper sorption and its effects on flocculation of colloidal oxide particles. K. Subramaniam, S. Yiacoumi, C. Tsouris

277. Experimental investigation and reactive transport modeling of U(VI) in the presence of citric acid. C. Kantar, B. D. Hon-eyman

278. Ferrate(VI) and ferrate(V) oxidation of thiocyanate. V. K. Sharma, C. R. Burnett, D. B. O'Connor

279. Investigation of Cu(l)-phytochelatin complexation using a spectroscopic technique with bathocuproine. T. B. Piatina, J. Hering

280. Kinetics of iron-dissolved organic matter interactions in model freshwaters. M. J. Pullin, S. E. Cabaniss

281. Large-scale applications of ultrasound in environmental remediation. H. Destail-lats, T. Lesko, M. R. Hoffmann


282. Macroscopic and spectroscopic studies of transition-metal sorption to hydrous metal oxides in aquatic environments. P. I. Trivedi, L. Axe, T. A. Tyson

283. Heterogeneous Fenton-like chain reactions initiated by iron oxides. W. P. Kwan, B. M. Voelker

284. Microbial reduction of perchlorate by mixed versus pure culture. K. Kim, Β. Ε. Logan

285. Model simulation of estuarine sediment fluxes of hydrophobic organic pollutants before, during, and after resuspension. C-H. Lin, I. H. Suffet

286. Modeling arsenic mobility in natural systems. G. P. Miller, D. I. Norman

287. Molecular modeling of humic and fulvic acid. J. D. Kubicki

288. Optimizing control strategies for disinfection by-products for small water supplies using ozone in an alternative disinfection process. S. Echigo, X. Zhang, H. Lei, R. A. Minear, M. E. Smith

289. Phosphonate removal during water treatment by adsorption onto sewage sludge and humic matter. B. Nowack, R. Saladin

290. Recent developments in field-flow fractionation for the study of elements associated with aquatic and soil colloids. J. F. Ranville, R. Beckett

291. Reduced phosphorus in the environment and its role in iron corrosion. S. Chen, M. Edwards

292. Reductive dissolution of Mn02 by Fe(ll): Effects of chemical gradients and intermediate phase structural information. J. E. Villinski, P. O'Day, J. R. Bargar, M. H. Conklin

293. Reductive dissolution of Mn02 by cysteine and glutathione. J. Herszage, M. dos Santos Afonso

294. Reductive transformation of halogenat-ed hydrocarbons by green rust. E. J. O'Loughlin, D. R. Burns

295. Relationship between rates of ligand-promoted dissolution of hematite and the iron-ligand surface structures of C1-C6 di-carboxylic acids. O. W. Duckworth, S. T. Martin

296. Remediation of chlorinated hydrocarbons using supported zero-valent nickel-iron nanoparticles. B. Schrick, S. M. Ponder, T. E. Mallouk

297. Role of humic substances on the photochemical reduction of mercury. M. Rav-ichandran, R. Araujo, R. Zepp

298. Sediment-associated reactions of aromatic amines: QSAR development. E. J. Weber, D. Colon, G. L. Baughman

299. Sonochemical degradation of surfactants. M. G. Y. Pee, L. K. Weavers, J. F. Rathman

300. Structural characterization of bacterial manganese oxides. P. Pasten, D. Hurum, J-F. Gaillard

301. Structure and reversibility of copper adsorbed to montmorillonite clay. J. D. Morton, J. D. Semrau, K. F. Hayes

302. Surface complexes of glyphosate and AMPA onto goethite. B. C. Barja, M. dos Santos Afonso

303. Tracking surface photodynamics on hy-drated titania powders using infrared spectroscopy. S. H. Szczepankiewicz, A. J. Colussi, M. R. Hoffmann

304. Transition- and heavy-metal adsorption on oxide surfaces: The influence of the electrolyte, ionic strength, and surface coverage on surface complexation. L. J. Criscenti

305. Use of fluorescence for characterizing source and speciation of aquatic humic substances. D. McKnight, L. Klapper, E. Hood

306. Zinc speciation and availability in an impacted wetland system. E. Peltier, J-F. Gaillard

307. Strong copper binding by terrestrial humic acids in seawater. M. B. Kogut, B. M. Voelker

• Chemical-Biological Interactions in Contaminant Fate

Cosponsored with Division of Geochemistry

308. Use of free and immobilized laccase for the decontamination of soil polluted with 2,4-dichlorophenol. M-Y. Ahn, J. Dec, J-E. Kim, J-M. Bollag

309. Aerobic degradation of trichloroethylene by a new consortium for waste minimization. J. Wang, T. J. Cutright

JULY 24, 2000 C&EN 8 7

ENVR/FERT/FUEL/TECHNICAL PROGRAM

310. Compound-specific isotope analysis as a means of tracing the sources and fates of PCBs in the environment. P. J. Yanik, S. A. Macko, Y. Qian, M. C. Kennicutt II

311. Degumming of ramie fibers by alkalo-philic bacteria and their polysaccharide-degrading enzyme. Y. Du, L. Zheng

312. Electrochemical properties of natural organic matter (NOM), fractions of NOM, and model biogeochemical electron shuttles. J. T. Nurmi, P. G. Tratnyek

313. Electrochemical study of metal-microbe interactions. M. A. Nolan, Β. Ε. Jackson, S. M. Webb, J-F. Gaillard, D. A. Stahl

314. Heavy-metal bioavailability and sequestration by plants via interaction of plant root exudate and soil humic ligands. T. W-M. Fan, F. Baraud, R. M. Higashi

315. Interactions of plutonium with desferoxamine siderophores. M. T. Johnson, C. E. Ruggiero, J. H. Matonic, S. D. Reilly, M. P. Neu

316. Metal toxicity in Deinococcus radio-durans. S. G. John, P. D. Gladden, E. P. Kenney, M. T. Johnson, C. E. Ruggiero, L. E. Hersman, L. A. Vanderberg, M. P. Neu

317. Modeling inhibition and toxicity of uranium in the citrate-Pseudomonas fluoresces system. W. Songkasiri, Β. Ε. Ritt-mann, D. T. Reed

318. Molecular and biochemical approaches to remediate Cr(VI) using chromate reductase. C-H. Park, S. Pandza, M. Baetens, M. Keyhan, A. C. Matin

319. Reductive dissolution of iron oxyhydrox-ides by different fractions of natural organic matter. S. Choi, J. Chen, B. Gu

320. Role of physical mixing and organic matter diagenesis on PAH distributions in sediments. K. M. Arzayus, E. A. Canuel, R. M. Dickhut

321. Solid/liquid redistribution of Fe(ll/lll), Co(lll), and Ni(ll) resulting from the biore-duction of Co(lll) or Ni(ll) substituted hydrous ferric oxides. S. C. Smith, J. M. Za-chara

322. Spectroscopic characterization of structural and functional properties of natural organic matter fractions. J. Chen, E. J. Le-Boeuf, S. Choi, B. Gu

• Environmental Chemistry: Emphasis on EPA and EPA-Supported Research

R. P. Mason, Presiding

323. Synchrotron X-ray microtomography, electron probe microanalysis, and NMR of toluene waste in cement. L. G. Butler, J. W. Owens, F. K. Cartledge, G. R. Byerly, R. L. Kurtz

324. Evaluation of the bioavailability of coal tar PAHs on soil with in vivo and in vitro methods. K. C. Donnelly, W. R. Reeves, N. R. Bordelon, S. E. George

325. Investigation of the factors controlling chromate removal by zero-valent iron. J. M. Farrell, O. Chuffe-Moscoso, N. Melitas

326. Characterization of peptidic structures in a chelator-treated soil humate by solution-state multinuclear 2-D NMR with FTIR and pyrolysis-GC/MS. T. W-M. Fan, R. M. Higashi, A. N. Lane

327. Role of polysulfides in effecting atrazine and cyanazine transformation in natural and modified sulfidic water. K. A. Lippa, J. C. Klotz, A. L. Roberts

328. RAPD-PCR genetic diversity measure of Pacific herring population health. L. W. Ott, D. E. Krane

329. Twelve-year history of hazardous materials incidents in Chester County, Pennsylvania. C. V. Shorten, J. G. Krebs, J. Galloway

330. Microengineering of polymer surfaces for chemical sensing applications. G. Tep-per, N. Levit

331. Nonparticle resuspension transport coefficients for contaminants in stream beds. L. Thibodeaux, K. T. Val sa raj, D. D. Reible

332. Time-resolved step-scan FTIR spectroscopy: Applications to the in situ real-time analysis of aqueous and organic aerosols. C. D. Hauser, J. Qian, R. E. Miller

333. Measurements of CO, C02, and H20 combustion emissions and flame temperature using diode laser sensors. M. E. Webber, J. Wang, S. T. Sanders, D. S. Baer, J. B. Jeffries, R. K. Hanson, M. Maiorov, D. Z. Garbuzov, J. C. Connolly

334. GC/MS measurement of PAH and PCB in small-volume samples of water overlying contaminated sediment. D. R. Young, R. J. Ozretich, D. B. Chadwick

335. Electrochemical technique for measuring TNT using disposable screen-printed electrode. K. R. Rogers, R. Pearson

336. Health indicators for salt marsh estuaries of the South Atlantic Bight. J. J. Alberts, R. T. Kneib, S. Y. Newell, S. C. Pennings, V. D. Wall

337. Identification markers of the ITS-1 region of Chironomid species for use as ecoindicators of water pollution. Ε. Ν. Newburn, D. E. Krane

THURSDAY MORNING


Environmental Chemistry: Emphasis on EPA and EPA-Supported Research Environmental Impacts and Monitoring

M. L. Phillips, Presiding 8:30—Introductory Remarks. 8:40—338. Diurnal behavior of gaseous and

particulate pollutants in Oklahoma City and Tulsa. M. L. Phillips, D. Wang, N. A. Esmen, T. A. Hall

9:05—339. Comparison of measured and computed interstitial water concentrations in the assessment of PAH and PCB contamination at an industrial waterway. R. J. Ozretich, D. R. Young, D. B. Chadwick

9:30—340. Characterization of organophos-phorus insecticides in agricultural runoff: Dissolved and suspended solids phases. J. A. Pedersen, M. A. Yeager, X. Ouyang, I. H. Suffet

9:55—Intermission. 10:10—341. RAPD DNA profile-based mea

sures of genetic diversity are correlated with environmental impacts. D. E. Krane

10:35—342. Pollution and mutation in dandelions. S. H. Rogstad, B. Keane, M. Collier, J. Shann

11:00—343. Trophic transport of heavy metals in starlings (Sturnus vulgaris) inhabiting a Superfund site in the mountain West. B. M. Adair, T. J. McBride, S. T. McMurry, M. J. Hooper, D. Hoff, B. Olsen, G. P. Cobb III

11:25—344. Highly sensitive assay for anticholinesterase compounds using 96-well-plate format. K. R. Rogers, N. N. Mishra


• Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry D. R. Lovley, Presiding 8:30—Introductory Remarks. 8:55—345. Role of natural organic matter in

iron oxide bioreduction: Importance of Fe(ll) complexation. R. A. Royer, W. D. Burgos, A. S. Fisher, R. F. Unz

9:20—346. Chemical and biological reduction of contaminant metals by natural organic matter. B. Gu, J. Chen, M. A. Vaira-vamurthy, S. Choi

9:45—347. Measurement of iron(lll) bioavailability in pure iron oxide minerals and soils using anthraquinone-2,6-disulfonic acid oxidation. E. L. Hacherl, D. J. Scala, R. M. Cowan, L. Y. Young, D. S. Kosson

10:10—348. Role of thiols and sulfide oxidation intermediates in mobilizing metals. M. A. Vairavamurthy, A. I. Frenkel

10:35—Intermission. 11:00—349. Solution interactions of uranyl

(U022+) with Pseudomonas fluorescens:

Bioavailability of complexed ligand, toxicity, and fate of uranyl. R. Bencheikh-Latmani, J. O. Leckie, A. M. Spormann

11:25—350. Interactions of microbial ex-opolymers and whole cells with actinides. M. T. Johnson, L. He, D. J. Chitwood, L. A. Vanderberg, M. P. Neu

11:50—351. Siderophore-mediated plutonium uptake by the common soil aerobe Au-reobacterium flavescens (JG-9). S. G. John, C. E. Ruggiero, L. E. Hersman, M. P. Neu


• Chemical Speciation and Reactivity in Water Chemistry and Water Technology: Symposium in Honor of James J. Morgan Speciation and Reactivity

R. Schwarzenbach, Presiding 8:30—Introductory Remarks. 8:40—352. Importance of ionic solid solu

tions in determining metal behavior in natural waters. J. F. Pankow, A. J. Tesoriero, A. Pavlick

9:20—353. Evidence for aqueous clusters as intermediates during copper sulfide formation. S. M. Theberge, G. W. Luther III, T. F. Rozan, D. T. Rickard

9:40—354. Kinetics of chromate reduction by carbonate green rust. A. G. B. Williams, M. M. Scherer

10:00—355. Chromium(VI) reduction by hydrogen sulfide in the aqueous phase. C. Kim, Q. Zhou, B. Deng, E. C. Thornton

10:20—Intermission. 10:40—356. Kinetics and mechanisms of re

actions involving carbonyl sulfide in sulfuric acid/water mixtures. M. R. Hoffmann, N. Dalleska

11:00—357. Probing molecular interactions between polycyclic aromatic hydrocarbons and metal cations in solution and at hy-drated mineral surfaces. M. A. Schlaut-man, E. R. Carraway, B. E. Herbert

11:20—358. Contaminant reduction by Fe(0): Evaluation of transport properties and chemical reactivity over time. P. J. Vikesland, J. Klausen, H. Zimmermann, W. P. Ball, A. L. Roberts

11:40—359. Sonochemical remediation of PCB-contaminated sediments. Y. Lu, L. K. Weavers

12:00—360. Reduction of pentachloronitro-benzene by ferrous iron species. T. P. Klupinski, Y-P. Chin, S. J. Traîna


THURSDAY AFTERNOON


• Environmental Chemistry: Emphasis on EPA and EPA-Supported Research Remediation: New Methodologies

R. L. Lipnick, Presiding

1:30—Introductory Remarks. 1:40—361. Solvated electron (Na/NH3) de

chlorination of model compounds and remediation of PCP- and CAH-contaminated wet soils. C. U. Pittman Jr., J. He, G-R. Sun

2:05—362. Mechanisms controlling halocar-bon reduction rates by zero-valent iron. J. M. Farrell, N. Melitas, T. Li

2:30—363. Electrochemical dechlorination of trichloroethylene using granular-graphite electrodes. J-L. Chen, S. ΑΙ-Abed, J. Ryan, Z. Li

2:55—Intermission. 3:10—364. Integrating site characterization

with aquifer and soil remediation design. H. W. Reeves, J. Lee, C. H. Dowding

3:35—365. Heavy metal removal using bacteria displaying synthetic phytochelatins. W. Bae, W. Chen, R. Mehra, A. Mulchandani

4:00—366. Iron-mediated reductive precipitation of arsenic from contaminated groundwater. J. M. Farrell, J. Wang, P. O'Day, M. Conklin



• Chemical-Biological Interactions in Contaminant Fate Cosponsored with Division of Geochemistry R. G. Luthy, Presiding 1:30—Introductory Remarks. 1:55—367. Substrate interactions in the bio-

degradation kinetics of PAH mixtures. C. D. Knightes, C. A. Peters

2:20—368. Linking molecular sorption mechanisms to contaminant bioavailability in macroscopic systems. B. E. Herbert, M. A. Schlautman, E. R. Carraway

2:45—369. Assessment of bioavailability of sorbed naphthalene. J-H. Park, X. Zhao, T. C. Voice

3:10—370. PAH transport and fate in estuaries in association with vegetative organic matter. R. E. Countway, Κ. Μ. Arzayus, R. M. Dickhut, E. A. Canuel

3:35—Intermission. 4:00—371. Effects of cell structure and envi

ronmental parameters on sorption of heavy metals to bacteria: An experimental and modeling study. L. L. Landkamer, B. D. Honeyman, L. A. Figueroa, C. J. Dodge, A. J. Francis

4:25—372. Removal of arsenic As(lll) from aqueous solutions in the presence of arsenic-reducing bacteria. R. M. Floroiu, O. J. Hao, A. P. Davis, A. Torrents

4:50—373. Copper bioavailability to meth-anotrophs. J. D. Semrau, J. D. Morton, K. F. Hayes


FERT

DIVISION OF FERTILIZER & SOIL CHEMISTRY W. L. Hall, Program Chair


Agrochemical and Nutrient Impacts on Estuaries (see Division of Agrochemicals, Wed, Thu, page 63)

SOCIAL EVENT: Social Hour, Mon BUSINESS MEETING: Mon

MONDAY MORNING Renaissance Washington Congressional Hall A

• Fertilizers Under Siege: Their Detection, Analysis, and Impact on the Environment Metal Analysis in Fertilizers

Cosponsored with Division of Agrochemicals W. L. Hall, Presiding 8:00—1. Model used by the Milwaukee Met

ropolitan Sewage District for the control and monitoring of heavy metals in sewage sludge. M. J. Archer

8:30—2. Trace-metal inputs into agricultural soils by application of organic amendments. N. Senesi, G. Brunetti, D. Mondelli

9:00—3. Metals analysis of phosphate fertilizers. J. H. Falls, S. Siegel, J. Longest, B. Boggs, M. Harvey, L. Taylor

9:30—4. ICP-MS analysis for selected trace elements in fertilizer—surprise differences versus optical ICP. J. E. Gliksman, D. W. Averitt


8 8 JULY 24, 2000 C&EN

10:15—5. Evaluation of the composition of fertilizer source materials: Trace metals. W. P. Robarge, M. Duffera, D. Boos

10:45—6. Toxic-metal screening of fertilizer products. 0 . 0. Offiah, W. R. Bontoyan, P. J. Sweeney, K. McManus

11:15—7. Metal mania in Washington State: A historical and skeptical perspective of changes in fertilizer standards for nonessential elements. A. S. Felsot

MONDAY AFTERNOON Renaissance Washington Congressional Hall A

• Fertilizers Under Siege: Their Detection, Analysis, and Impact on the Environment Metal Analysis in Fertilizers

Cosponsored with Division of Agrochemicals W. P. Robarge, Presiding 1:00—8. Phytoavailability of arsenic and lead

in a fertilizer derived from mineral sources. P. J. Eberhardt

1:30—9. Influence of some cadmium-containing fertilizer on cadmium concentration in soil and availability to plants. S. Kuo, R. Bembenek

2:00—10. Interaction between contaminant-metal mobility and soil fertility manipulated by organic amendments. T. A. James, R. M. Higashi, T. W. M. Fan

2:30—Intermission. 2:45—11. Health-risk evaluation of metals in

inorganic fertilizers. D. M. Woltering, T. A. Marshall

3:15—Panel Discussion. 3:45—Division Business Meeting.

TUESDAY MORNING Renaissance Washington Congressional Hall A

• Fertilizers Under Siege: Their Detection, Analysis, and Impact on the Environment Perchlorate in Fertilizers

Cosponsored with Division of Agrochemicals Ε. Τ. Urbansky, Presiding 8:00—12. Implications of perchlorates in ag

ricultural fertilizers. B. Hall, L. Weber 8:30—13. Perchlorate in fertilizers? Analysis

by Raman spectroscopy. T. W. Collette, T. L. Williams

9:00—14. Distribution of perchlorate in samples of sodium nitrate (Chile saltpeter) fertilizer derived from natural caliche. Ε. Τ. Urbansky, C. A. Kelty, S. K. Brown, M. L. Magnuson

9:30—15. Development of an electrospray mass spectrometric method for determining perchlorate in fertilizers. Ε. Τ. Urbansky, M. L Magnuson, B. Gu, G. M. Brown, C. A. Kelty

10:00—Intermission. 10:15—16. Determination of perchlorate in

fertilizers by ion chromatography. B. Gu, G. M. Brown, Ε. Τ. Urbansky, M. L. Magnuson

10:45—17. Evaluation of the composition of fertilizer source materials: Perchlorate. W. P. Robarge, M. Duffera, G. Ramirez

11:15—18. Accumulation of perchlorate in tobacco plants and tobacco products. N. L. Wolfe, J. J. Ellington, W. Garrison, J. J. Evans, J. Avants, Q. Teng

A Catalysis




Sciences


TUESDAY AFTERNOON Renaissance Washington Congressional Hall A

New Developments in Fertilizer Manufacture Cosponsored with Division of Agrochemicals D. P. Day, Presiding 1:00—19. Phosphate minerals processing

using the reverse Crago process: The final update and closing thoughts. J. Zhang

1:30—20. Innovative process for odor abatement in phosphate fertilizer plants. D. J. Higgins, B. Goetschy

2:00—21. Incorporation of phosphorus-containing water (phossy water) in suspension fertilizers. J. C. Barber

2:30—Intermission. 2:45—22. Surfactant presence in fertilizer in

creases efficiency in agriculture. B. Kopy-leva

3:15—23. Lime as a direct replacement for the formaldehyde conditioner in granular urea products. A. M. Huey, K. D. Cochran, P. B. Aylen

3:45—24. Project development of fertilizer and specialty chemicals from conception to commercialization. T. G. Holt, A. R. Shirley Jr.

WEDNESDAY MORNING Renaissance Washington Room 12-14

• Fertilizers Under Siege: Their Detection, Analysis, and Impact on the Environment Nutrients, Soils, and Crops: Their Impact on the Environment

Cosponsored with Division of Agrochemicals W. I. Segars, Presiding 8:00—25. Fertilizers, food production, and

the environment. N. R. Usherwood, D. W. Dibb

8:30—26. Field measurements of Ν volatilization from urea fertilizer. W. I. Segars, D. E. Kissel, M. L. Cabrera, N. Qafoku

9:00—27. Nitrogen fertilization, tillage, and cropping system influences on soil organic carbon. A. D. Halvorson

9:30—28. Nutrient use efficiency: The potential for improving environmental quality. J. L. Hatfield, J. H. Prueger

10:00—Intermission. 10:15—29. Loss of bioavailable phosphorus

in the Minnesota River Basin: From soil to water. A. Fang, L. K. Hatch, P. L. Brezon-ik, D. J. Mulla

10:45—30. Efficient nutrient management using subsurface drip irrigation. T. L. Thompson

11:15—31. Use of KTS (potassium thiosul-fate) in irrigation systems for enhanced crop yield and quality. J. G. Clapp

11:45—32. Potassium fertilizers banded or injected through three drip/micro-irrigation systems on almonds. R. D. Meyer, J. P. Ed-strom, J. Deng, L. J. Schwankl, S. Cutter

WEDNESDAY AFTERNOON Renaissance Washington Room 12-14

• Fertilizers Under Siege: Their Detection, Analysis, and Impact on the Environment Nutrients, Soils, and Crops: Their Impact on the Environment

Cosponsored with Division of Agrochemicals W. I. Segars, Presiding 1:00—33. Speciation of aluminum and its

acid-based buffering effects in acidic soil water in equilibrium with mineral-phase jurbanite by chemical equilibrium calculation. S. Bi, H. Qian, J. Wang

1:30—34. Improving fertilizer quality: New technology in additives and coatings. V. M. Granquist, D. Imbert

2:00—35. NPZ: Novel green fertilizer granules that meet the Clean Air Act. I. Ors-zagh, B. Denes

2:30—36. Opening new markets for fertilizer: Case studies in Albania, Bangladesh, and Africa. D. F. Waterman

3:00—Concluding Remarks. B. Hall

FUEL

DIVISION OF FUEL CHEMISTRY F. E. Huggins, Program Chair


Advances In Hydrocarbon Characterization (see Division of Petroleum Chemistry, Tue, page 117)

Residuum/Asphaltene/Coke/Solids Characterization in Petroleum Processing (see Division of Petroleum Chemistry, Mon, Tue, page 117)

Structure of Jet Fuels (see Division of Petroleum Chemistry, Wed, Thu, page 117)

Scientific Uncertainty and Risk Management (see Division of Environmental Chemistry, Sun, page 83)

Materials for Transportation (see Division of Polymeric Materials: Science & Engineering, Sun, Mon, Tue, Wed, page 132)

SOCIAL EVENT: Social Hour, Tue Banquet (with PETR), Tue BUSINESS MEETING: Tue


• 1990 Clean Air Act Amendments: A Ten-Year Assessment Cosponsored with Division of Environmental Chemistry and Division of Petroleum Chemistry J. J. Helble, Organizer, Presiding 9:00—Introductory Remarks. 9:05—Overview: Pollutant trends since the

passage of the 1990 CAAA. 9:15—1. Remote sensing of criteria and non-

criteria pollutants emitted in the exhaust of on-road vehicles. M. M. Baum, E. S. Kiyo-miya, S. Kumar, A. M. Lappas, H. C. Lord III

9:40—2. Characterization of fly-ash carbons derived due to the implementation of NOx Clean Air Act Amendments. M. M. Maroto-Valer, J. C. Hower, D. N. Taulbee

10:05—3. Technical challenges in NOx control: Cost-competitive compliance for coal-fired boilers. S. A. Johnson, C. A. Lockert

10:30—Intermission. 10:50—4. New path to "prompt" NO: CH + N2

= H + NCN studied by ab initio MO and statistical theory calculations. M. C. Lin, L. V. Moskaleva, W. Xia

11:15—5. Predicting aromatics formation from propargyl reactions. P. R. Westmoreland

11:40—6. Microwave destruction of trichloro-ethylene in a H20-02-Ar plasma. I. M. Kennedy, Y. Ko, G. Yang, D. P. Y. Chang

À Catalysis and Plasma Technology cosponsored with Catalysis & Surface Science Secretariat (see page 59)


SUNDAY AFTERNOON


• 1990 Clean Air Act Amendments: A Ten-Year Assessment Cosponsored with Division of Environmental Chemistry and Division of Petroleum Chemistry

J. J. Helble, Presiding

1:30—7. Zeolite-based mercury sorbent: Laboratory testing and modeling. T. Pana-giotou, J. R. Morency, C. L. Senior

1:55—8. Prediction of mercury air emissions from coal-fired power plants. C. L. Senior

2:20—9. Atmospheric transport, transformation, and deposition of Hg in the northeastern United States. X. Xu, X. Yang, D. R. Miller, J. J. Helble, R. J. Carley

2:45—Intermission. 3:05—10. Structure of primary PM2.5 derived

from petroleum. G. P. Huffman, F. E. Huggins, N. Shah, S. Pattanaik, W. P. Linak, C. A. Miller, B. Harris, N. D. Smith, H. L. C. Meuzelaar, R. Pugmire, M. S. Seehra, A. Manivannan

3:30—11. Identification of the inorganics in the NIST SRM1648 sample of urban particulate matter. A. Manivannan, M. S. Seehra

3:55—12. Nano-DMA/thermal-desorption particle-beam mass spectrometric analysis of nanoparticles produced in diesel exhaust. H. J. Tobias, D. E. Beving, P. J. Zie-mann, H. Sakurai, M. Zuk, P. McMurry, D. Zarling, R. Waytulonis, D. B. Kittelson


• Waste Materials Recycling for Energy and Other Applications Wastes to Value-Added Products

S. V. Pisupati, M. A. Wojtowicz, Organizers, Presiding 1:30—Introductory Remarks. 1:35—13. Novel uses for tire pyrolysis char.

W. Petrich 2:00—14. Improved WOMBAT method for

processing scrap tires into useful materials. D. L. Wertz

2:25—15. Nature of porosity in carbons derived from scrap automobile tires. Ε. Μ. Suuberg, I. Aarna

2:50—Intermission. 3:10—16. Pyrolysis processing of mixed

solid-waste streams. M. A. Serio, Y. Chen, M. A. Wojtowicz, E. M. Suuberg

3:35—17. Properties and potential environmental applications of carbon adsorbents. C. M. B. Lehmann, D. Rameriz, M. J. Rood, M. Rostam-Abadi

A Catalysis and Plasma Technology cosponsored with Catalysis & Surface Science Secretariat (see page 59)

MONDAY MORNING


• Inorganics in Fossil Fuels, Waste Materials, and Biomass Characterization

C. L. Senior, E. Kauppinen, Organizers H. Kamiya, K. Katrinak, Presiding 9:00—18. Inorganics in fuel: A century of sci

entific and engineering progress. C. L. Senior

9:25—19. Modes of occurrence of trace elements in coal: Results from an international collaborative program. R. M. Davidson

9:50—20. Stanford-USGS SHRIMP-RG ion microprobe: New approach to determining the distribution of trace elements in coal. A. Kolker, J. L. Wooden, H. M. Persing, R. A. Zielinski


JULY 24, 2000 C&EN 8 9

FUEL/GEOC/TECHNICAL PROGRAM

10:40—21. Direct comparison of XAFS spectroscopy and sequential extraction for arsenic speciation in coal. F. E. Huggins, G. P. Huffman, A. Kolker, S. Mroczkowski, C. A. Palmer, R. B. Finkelman

11:05—22. Round-robin on biomass fuels. T. von Puttkamer

11:30—23. Use of chemical fraction to predict biomass fuel-ash behavior. R. Korbee


• Waste Materials Recycling for Energy and Other Applications Waste to Energy

S. V. Pisupati, M. A. Wojtowicz, Presiding 9:00—24. Tertiary resource recovery from

waste polymers via pyrolysis. L. J. Broad-belt, T. M. Kruse, O. S. Woo, H-W. Wong

9:25—25. Combustion of coal washery rejects in a circulating fluidized bed (CFBC). L. Jia, E. J. Anthony, R. E. Talbot

9:50—26. Combustion of pig lard in an industrial boiler. M. W. Badger, B. G. Miller

10:15—Intermission. 10:40—27. Construction/demolition wood as

fuel for co-firing. J. Cobb Jr., W. W. Elder 11:05—28. NOx emission reduction in pul

verized coal combustion boilers using waste coal. S. V. Pisupati, V. Zarnescu

Catalysis Development Through Active Site and Surface Science Theories cosponsored with Catalysis & Surface Science Secretariat (see page 59)

MONDAY AFTERNOON


• Inorganics in Fossil Fuels, Waste Materials, and Biomass Combustion Behavior and Environmental Issues

A. Kolker, S. Harding, Presiding 1:30—29. Trapping and identification of oxi

dized mercury species in flue gas. E. S. Olson, J. S. Thompson, R. K. Sharma

1:55—30. Analysis of high-temperature cohesion of ash particles using model pure silica powders coated with alkali metals. H. Kamiya, A. Kimura, M. Naito

2:20—31. Study of the capture of vanadium in combustion systems using thermodynamic equilibrium analyses. C-Y. Wu, S-R. Lee

2:45—Intermission. 3:10—32. Supercritcal water gasification of

coal using Ca(OH)2 as an additive. J. Wang, T. Takarada

3:35—33. Impact of chlorine on hexavalent chromium emissions from a laminar diffusion flame. I. M. Kennedy, B. Guo

4:00—34. Control of heavy-metal emissions from incineration of CCA-treated woods. C-Y. Wu, K. lida, J. Pierman, T. Tolaymat, T. Townsend


• Waste Materials Recycling for Energy and Other Applications Utilization of Wastes from Fuel Conversion and Combustion Processes

S. V. Pisupati, M. A. Wojtowicz, Presiding

1:30—Introductory Remarks. 1:35—35. Fabrication of automotive brake

composites from unbumed carbon. V. M. Malhotra, P. S. Valimbe, M. A. Wright

2:00—36. Recovery and utilization of fly-ash carbons for the development of high-value products. M. M. Maroto-Valer, J. M. An-drésen, C. A. Andrésen, J. L. Morrison, H. H. Schobert

2:25—37. Separation and utilization of value-added products from combustion fly ash. Y. Soong, M. L Gray, T. A. Link, K. J. Champagne, M. R. Schoffstall

2:50—Intermission. 3:10—38. Value-added technology for strip

per oil and gas-well brines. R. Watson 3:35—39. Adsorption of SOx and NOx by ze

olites synthesized from fly ash, cement kiln dust, and recycled bottle glass. S. Bopaiah, M. W. Grutzeck

4:00—40. Synthesis and characterization of a novel carbon molecular sieve. W. Xing, Z-F. Yan



Sci-Mix

F. E. Huggins, Presiding 8:00-10:00 4, 30, 35. See previous listings. 45, 48, 52, 68, 104, 107. See subsequent

listings.

TUESDAY MORNING


• C02 Capture, Utilization, and Sequestration Capture

R. P. Warzinski, R. M. Enick, Organizers, Presiding

8:30— Introductory Remarks. 8:35—41. Review of C02 capture technolo

gies and some improvement opportunities. S. I. Plasynski, Ζ. Υ. Chen

9:00—42. Study of C02 absorption and de-sorption in a packed column. J. T. Yeh, H. W. Pennline, K. P. Resnik

9:25—43. Novel solid amine sorbents and applications for carbon dioxide removal. S. Satyapal, T. P. Filburn, J. Trela, J. Strange

9:50—44. Dual alkaline approaches for the capture and disposal of carbon dioxide. S. G. Chang, H. P. Huang

10:15—Intermission. 10:35—45. Immobilized liquid membranes

for C0 2 separation. A. S. Kovvali, H. Chen, G. Obuskovic, S. Majumdar, K. K. Sirkar

11:00—46. Adsorption of C02 on molecular sieves and activated carbon. R. Siriward-ane, M. Shen, E. Fisher, J. Poston, D. H. Smith

11:25—47. Separation and recovery of C02 from exhausted gas by hydrates. F. Kiyo-no

11:50—Division Business Meeting.


• Production of Fuels and Chemicals from Synthesis Gas D. B. Dadyburjor, E. L Kugler, Organizers, Presiding 9:00—Introductory Remarks. 9:05—48. Support modification for cobalt-

based, slurry-phase Fischer-Tropsch catalysts. J. van de Loosdrecht, S. Barradas, P. J. van Berge, J. L. Visagie

9:30—49. Fischer-Tropsch diesel fuel preparation and testing. P. F. Schubert, B. Russell, R. Freerks, L. Tomlinson

9:55—50. Two-step conversion of syngas via dimethyl ether. C-J. Liu, T. Jiang, G-H. Xu

51. Withdrawn. 10:45—Intermission.


Chemistry of Liquid and Gaseous Fuels F. E. Huggins, Organizer, Presiding 11:05—Introductory Remarks. 11:10—52. New concepts in octane boosting

of fuels for internal combustion engines. P. F. Waters, J. C. Trippe

11:35—53. Carbon number correlation of overall rate constant of n-alkane pyrolysis. M. Watanabe, T. Adschiri, K. Arai


TUESDAY AFTERNOON


• C02 Capture, Utilization, and Sequestration Utilization

R. P. Warzinski, R. M. Enick, Presiding 1:30—Introductory Remarks. 1:35—54. Copolymerization reactions of

C02. R. K. Sharma, E. S. Olson 2:00—55. Carbon dioxide catalysis in trans-

esterification reactions for the carbamation of amines of industrial interest. A. Dibenedetto, M. Aresta, E. Quaranta

2:25—56. CAMERE process for carbon dioxide hydrogénation to form methanol. O-S. Joo

2:50—Intermission. 3:10—57. Methane dry reforming: Effects of

pressure and promoters on carbon formation. A. Shamsi

3:35—58. Conversion of C02 into valuable chemicals via catalytic plasmas. C-J. Liu, Q. Xia, Y-P. Zhang, Y. Li, J-J. Zou, G-H. Xu, B. Eliasson, B. Xue

4:00—59. Developing innovative synthetic technologies of industrial relevance based on carbon dioxide as raw material. M. Aresta, A. Dibenedetto


Chemistry of Liquid and Gaseous Fuels F. E. Huggins, Organizer, Presiding 1:30—60. Preparation and characterization

of Co-Mo/Si02-Al203 catalysts. S. Ahmed, M. A. Shalabi

1:55—61. Correlation among visbreaking feed quality, conversion, and fuel-oil stability. J. A. Carrillo, F. Pantoja, G. Garzon, H. Barrios

2:2fJ—62. Effect of vanadium poisoning and vanadium passivation on the structure and properties of FCC catalysts. H-P. Wang, F-Z. Wang, W-R. Wu

2:45—Intermission. 3:05—63. Molecular design of USY zeolites

used for the FCC process. X-M. Lui, Z-F. Yan, L. Qian, H-P. Wang

3:30—64. Extracting nuclear energy from heavy water with the aid of electrochemistry. A. Angus

3:55—65. Chemical bonding of new allo-tropes of hydrogen and its importance to fuel science. A. Angus


WEDNESDAY MORNING


• C0 2 Capture, Utilization, and Sequestration Geologic/Terrestrial Sequestration

R. P. Warzinski, R. M. Enick, Presiding 8:30— Introductory Remarks. 8:35—66. Carbon dioxide sequestration via

pH reduction of red mud using liquid C02. R. M. Enick, E. J. Beckman, J. Xu, C. Shi

9:00—67. Carbon dioxide storage as mineral carbonates. D. J. Fauth, P. M. Goldberg, J. P. Knoer, Y. Soong

9:25—68. Development of integrated system for biomimetic C0 2 sequestration using the enzyme carbonic anhydrase. G. M. Bond, J. Stringer, D. K. Brandvold, M. G. Medina, F. A. Simsek, G. Egeland

9:50—69. Research challenges for carbon sequestration in terrestrial ecosystems. R. C. Dahlman, G. K. Jacobs

10:15—Intermission. 10:35—70. Glomalin: A soil protein important

in carbon sequestration. S. F. Wright, M. C. Rillig, K. A. Nichols

11:00—71. Process modeling of C02 injection into natural gas reservoirs for carbon sequestration and enhanced gas recovery. C. M. Oldenburg, K. Pruess, S. M. Benson

11:25—72. Field-testing C02 sequestration and enhanced coal-bed methane recovery in Alberta, Canada: Historical perspective and future plans. W. D. Gunter, S. Wong, T. Gentzis


Symposium in Memory of Frank Derbyshire Catalysts and Carbon Deposition

S. Eser, L. R. Radovic, M. Jagtoyen, Β. Η. Davis, Organizers S. Eser, Presiding 8:30—Introductory Remarks. 8:35—73. Integrated approach on utilization

of coal for specialty chemicals, materials, and advanced jet fuels. C. Song, Η. Η. Schobert

9:00—74. Catalytic hydrotreatment of het-eroatom species in South Banko coal-liquid distillate over a carbon-supported NiMo catalyst. S. D. Sumbogomurti, K. Sakanishi, I. Mochida

9:25—75. Enhancing activity of iron-based catalyst supported on carbon nanoparti-cles by adding nickel and molybdenum. U. Priyanto, K. Sakanishi, I. Mochida

9:50—76. CO and C02 hydrogénation over a Co/Si02 catalyst. Y. Zhang, D. Sparks, B. H. Davis

10:15—Intermission. 10:35—77. Oxidation of short carbon fibers

by oxygen plasma. A. Martinez Alonso, J. M. D. Tascon, J. P. Boudou, M. Chehimi, J. F. Watts

11:00—78. Carbon deposition on Fe, Ni, and Cr and their alloys in supercritical jet-fuel environment. O. Altin, B. K. Pradhan, S. Eser, F. Zhang

11:25—79. Landmark paper on carbon-supported catalysts: The real story. L. R. Radovic

WEDNESDAY AFTERNOON

Section A


• C02 Capture, Utilization, and Sequestration Geologic Sequestration

R. P. Warzinski, R. M. Enick, Presiding

1:30—Introductory Remarks. 1:35—96. Managing greenhouse gas emis

sions: Strategies and developments in Australia. B. C. Young, D. J. Allardice

90 JULY 24, 2000 C&EN

2:00—81. Life-cycle-assessment framework for evaluating the reduction of carbon dioxide through injection in active or depleted reservoirs. A-C. Aycaguer, M. Lev-On

2:25—82. Tool to facilitate modeling and pilot projects for sequestration of carbon dioxide in saline formations. S. D. Hovorka, M. L. Romero, A. G. Warne, W. A. Ambrose, T. A. Tremblay, R. H. Trevino

2:50—Intermission. 3:10—83. Analysis of viscous fingering in

2-D flow cell by fractal dimension. Ο. Μ. Ogunsola, E. R. Ramer, D. H. Smith

3:35—84. Pore-level modeling of carbon dioxide sequestration in deep aquifers. D. H. Smith, M. Ferer, G. S. Bromhal

4:00—85. Improved geologic sequestration using carbon dioxide thickeners. R. M. Enick, E. J. Beckman, Z. Huang, J. Xu, S. Kilic, C. Shi


Symposium in Memory of Frank Derbyshire Coal Liquefaction and Related Topics

F. P. Burke, Presiding 1:30—Introductory Remarks. 1:35—86. Liquefaction of Indonesian coals

with bottom recycle using a FeNi catalyst supported on carbon nanoparticles. U. Priyanto, K. Sakanishi, I. Mochida

2:00—87. Liquefaction pathways of subbitu-minous and bituminous coals. Β. Η. Davis, R. A. Keogh

2:25—88. Molecular composition and catalytic hydrotreatment of coal liquid oil. S. D. Sumbogomurti, K. Sakanishi, I. Mochida

2:50—89. Structure of the additives and their effect on the enhancement of Upper Free-port coal extractability. C. Chen, M. lino



Symposium in Memory of Frank Derbyshire Adsorption on Activated Carbons and Fibers

L. R. Radovic, Presiding 3:35—Introductory Remarks. 3:40—90. Impregnated activated carbon for

the separation of VOC mixtures into their individual components. J. P. Boudou

4:05—91. Activated-carbon fibers and films derived from polyvinylidene fluoride. J. Ya-mashita, T. Hirano, M. Shioya, T. Kiku-tani, T. Hashimoto

4:30—92. Activated-carbon fibers from non-conventional pitch precursors. R. Andrews, M. Jagtoyen, D. Jacques, T. Ran-tell

• Catalysis




Sciences


THURSDAY MORNING


• C02 Capture, Utilization, and Sequestration Advanced Concepts

R. P. Warzinski, R. M. Enick, Presiding 8:30—Introductory Remarks. 8:35—93. Incorporating C0 2 sequestration

and coal-bed methane recovery into hydrogen production from coal: Economics and environmental aspects. P. Spath, W. Amos

9:00—94. Geothermal power production utilizing supercritical C0 2 combined with deep Earth carbon sequestration. D. W. Brown

9:25—95. Trireforming: A new process concept for effective conversion and utilization of C0 2 in flue gas from electric power plants. C. Song

9:50—80. Potential role of geologic storage of carbon dioxide in a sustainable longer-term fossil-fuels future. D. J. Beecy, F. Ferrell, J. Carey

10:15—Intermission. 10:35—97. Sequestration of carbon dioxide

to the deep ocean by fertilization. M. Mar-kels Jr., R. T. Barber

11:00—98. Thermodynamics of conversion of methane clathrate hydrate to carbon dioxide hydrate within porous media. D. H. Smith, K. S. Seshadri

11:25—99. Reformation and replacement of C02 and CH4 gas hydrates. T. Komai, T. Kawamura, Y. Yamamoto


Symposium in Memory of Frank Derbyshire Adsorption on Activated Carbons and Nanotubes

M. Jagtoyen, Presiding 8:30—Introductory Remarks. 8:35—100. Novel carbon adsorbents for fuel-

gas storage derived from lignosulfonate resins. B. McEnaney, E. Alain, O. Kozynchenko, V. Strelko

9:00—101. Mechanisms of mercury capture and breakthrough on activated-carbon sor-bents. E. S. Olson, R. K. Sharma, S. Miller, G. E. Dunham

9:25—102. Activated carbons in extracorporeal methods of medical treatment: Time to reactivate the idea? S. V. Mikhalovsky

9:50—103. Underlying mechanism of DR equation for adsorption in activated carbon. D. D. Do

10:15—Intermission. 10:35—104. Characterization of adsorption

on carbon nanotubes using a pulse-mass analyzer. E. W. Bittner, M. R. Smith, B. C. Bockrath

11:00—105. Carbon nanotube absorbents. B. McEnaney, T. Mays, E. Alain, Y. F. Yin

11:25—106. Separation of gas mixtures using multiwalled nanotubes. M. Jagtoyen, F. J. Derbyshire, E. Grulke

THURSDAY AFTERNOON Convention Center Room 4-5

• C02 Capture, Utilization, and Sequestration Direct Oceanic Sequestration

R. P. Warzinski, R. M. Enick, Presiding 1:30—Introductory Remarks. 1:35—107. Direct observation of the fate of

oceanic carbon dioxide release at 800 meters. E. T. Peltzer, P. G. Brewer, G. Friederich, G. Rehder

2:00—108. Analytical and experimental studies of droplet plumes with application to C02 ocean sequestration. Ε. Ε. Adams, B. C. Crounse, T. H. Harrison, S. A. So-colofsky

2:25—109. Experiments to investigate C0 2 ocean sequestration. S. M. Masutani, M. Nishio, G. Alendal, G. C. Nihous

2:50—110. Development of a high-pressure water-tunnel facility for ocean C02 storage experimentation. R. P. Warzinski, R. J. Lynn, A. M. Robertson, I. J. Halijasmaa

3:15—111. Characteristics and performance of a deep ocean disposal system for low-purity C02 gas by gas-lift effect. T. Saito, S. Kosugi, T. Kajishima, K. Tsuchiya

GEOC

DIVISION OF GEOCHEMISTRY G. Cody, Program Chair

BUSINESS MEETING: Mon

MONDAY MORNING • Chemical-Biological Interactions in Contaminant Fate cosponsored with Division of Environmental Chemistry (see page 84)



• Chemical-Biological Interactions in Contaminant Fate cosponsored with Division of Environmental Chemistry (see page 84)

TUESDAY MORNING • Chemical-Biological Interactions in Contaminant Fate cosponsored with Division of Environmental Chemistry (see page 85)

TUESDAY AFTERNOON Advances in Oil Field Chemistry: Downhole Upgrading cosponsored with Division of Petroleum Chemistry (see page 117)


WEDNESDAY MORNING • Chemical-Biological Interactions in Contaminant Fate cosponsored with Division of Environmental Chemistry (see page 85)

WEDNESDAY AFTERNOON • Chemical-Biological Interactions in Contaminant Fate cosponsored with Division of Environmental Chemistry (see page 85)

WEDNESDAY EVENING • Chemical-Biological Interactions in Contaminant Fate cosponsored with Division of Environmental Chemistry (see page 87)



Chemistry of the Early Solar System C. Alexander, Organizer 8:25—Introductory Remarks. 8:30—1. Interesting candidates for interstel

lar chromophores. T. J. Wdowiak, Κ. Μ. Arnoult, D. C. Killilea, B. G. Coltress

8:50—2. Energetic processing of HCN-bearing ices in the laboratory. P. A. Ger-akines, M. H. Moore, R. L. Hudson

9:10—3. Laboratory studies of catalysis of CO to organics on cosmic grain analogs. R. F. Ferrante, M. H. Moore, J. A. Nuth III, T. Smith

9:30—4. Laboratory investigation of the formation of presolar oxide grains and grains in the early solar system. S. E. Kooi, B. D. Leskiw, A. W. Castleman

9:50—5. Presolar origin and asteroidal modification of organic macromolecular material in meteorites. C. O. Alexander

10:10—Intermission. 10:30—6. Unraveling the structure of macro-

molecular organic matter in the Murchison meteorite with molecular spectroscopy. G. D. Cody, C. C. M. O. Alexander, F. Tera

10:50—7. Chemical structure of the insoluble matter in carbonaceous chondrites. S. De-renne, F. Behar, A. Gardinier, F. Robert, C. Largeau

11:10—8. Signatures of disequilibrium chemistry in the solar nebula. S. Desch, M. Kress, C. Dateo, W. Huo

11:30—9. Hydrogen isotopic evolution of interstellar organic matter in the protostellar nebula: A 2-D simulation model. F. M. Robert, D. Gautier, F. Hersant

11:50—10. Investigating the link between preterrestrial aqueous alteration and the organic constitution of CM chondrites. M. A. Sephton, P. A. Bland, C. T. Pillinger, I. Gilmour, F. J. Berry


THURSDAY AFTERNOON Convention Center Room 7

Chemistry of the Early Solar System C. Alexander, Organizer 2:00—11. Near-critical aqueous organic

chemistry in planetesimals. Κ. Μ. Arnoult, T. J. Wdowiak, D. C. Killilea, B. Coltress

2:20—12. Transmission electron microscopy and spectroscopic studies of deuterium and lSN-rich I DPS. S. Messenger, L. P. Keller

2:40—13. Organic carbon in interplanetary dust. G. J. Flynn, L. P. Keller, C. Jacob-sen, S. Wirick

3:00—14. Cometary water and organic matter in IDPs as recorded by their D/H ratios: An ion-imaging microprobe study. J. Aléon, C. Engrand, F. M. Robert, M. Chaussidon

3:20—Intermission. 3:40—15. Analytical methods for investigat

ing structure of macromolecular solids relevant to the origin of life. R. D. Minard, G. D. Cody, A. D. Jones

4:00—16. Sources of extraterrestrial water in Martian meteorites: Magmatic, hydrothermal, or shock implanted? N. Z. Boctor, C. C. M. O. Alexander, J. Wang, E. Hauri

4:20—17. From interstellar polycyclic aromatic hydrocarbons and ice to early solar system chemistry and perhaps the origin of life. L. J. Allamandola



JULY 24, 2000 C&EN 91

HIST/l&ECATECHNICAL PROGRAM

HIST

DIVISION OF THE HISTORY OF CHEMISTRY R. Egolf, Program Chair

SOCIAL EVENT: Luncheon, Tue

SUNDAY AFTERNOON

Historically Important Chemical Educators cosponsored with Division of Chemical Education (see page 68)


General Papers

R. A. Egolf, Organizer, Presiding

9:00—1. Adhesive materials used in gilding by East European medieval artists. M. D. Leonida, M. Mihalcu

9:30—2. Edgar Buckingham: The fluorescence of quinine salts. J. T. Stock

10:00—3. Fritz Arndt's Turkish textbooks: The scientist and historical change. L. A. Burk

10:30—Intermission. 10:45—4. Lt. j.g. John Baptiste Bemadou:

Our man in St. Petersburg. R. E. Rice 11:15—5. Chemical Heritage Foundation's

leadership initiative in science education. D. Brock, M. V. Orna


Chemistry in Washington, D.C., 100 Years Ago Cosponsored with Chemical Society of Washington

L. May, Organizer, Presiding

1:30—Introductory Remarks. 1:40—6. Fighting city hall: The role of Wash

ington chemists in the nationalization of the American Chemical Society. J. J. Bohning

2:05—7. Harvey Washington Wiley: Leading the fight for a pure food and drug act. T. L. Sullivan, L Slater

2:30—8. Brief look at chemistry in Washington, D.C., from 1880 to 1925 through the eyes of William F. Hillebrand. C. M. Beck II

2:55—9. How sweet it is: Charles A. Browne, sugar chemist and historian of the American Chemical Society. J. J. Bohning

3:20—Intermission. 3:35—10. Chemistry at Georgetown Univer

sity at the end of the nineteenth century: Causes and effects of a major change in educational philosophy. J. E. Earley Sr.

4:00—11. Chemistry at Howard University: The first sixty years (1867-1927). M. R. Feldman

4:25—12. Early days of chemistry at Catholic University of America. L. May

TUESDAY MORNING Renaissance Washington Room 5

Dexter Award Symposium Honoring Alan J. Rocke

F. L. Holmes, Organizer, Presiding

9:00—Introductory Remarks. 9:05—13. "Sur la force de la poudre et des

matières explosives": Berthelot and the aftermath of the Franco-Prussian War. S. Mauskopf

9:35—14. Heroes and antiheroes in the early history of French chemistry: Wilhelm Homberg and Claude Bourdelin. F. L. Holmes

10:05—Intermission. 10:20—15. Heroes and villains: Rewriting bi

ography in the history of French chemistry. M. J. Nye

10:50—16. Celebrity culture in nineteenth-century Parisian chemistry: Dumas, Pe-louze, Berthelot, and Wurtz. A. J. Rocke

11:20—Dexter Award Presentation.


TUESDAY AFTERNOON Renaissance Washington Room 5

Twentieth-Century Chemistry Before WWII (1901-1939)

R. E. Rice, Organizer, Presiding

2:00—Introductory Remarks. 2:05—17. Affinity eclipsed: The demise of a

venerable chemical concept. S. J. Wein-inger

2:35—18. Fischer-Tropsch fuels and lubricants: Germany 1923-1939. P. F. Schubert, B. Russell, R. Freerks, L. Tomlinson, A. Stranges

3:05—19. Electrolytes, hydrates, and solvates after 1900. R. E. Rice

3:35—Intermission. 3:50—20. Fischer-Tropsch reactor design:

Germany 1923-1939. P. F. Schubert, S. LeViness, K. Arcuri, A. Stranges

4:20—21. James Bryant Conant, the chemist: From apprentice to emerging master (1903-1928). M. D. Saltzman


I&EC

DIVISION OF INDUSTRIAL & ENGINEERING CHEMISTRY R. C. Gatrone, Program Chair


True Stories of (Women in) Small Chemical Businesses (see Division of Small Chemical Businesses, Tue, page 137)

Membrane Separation Processes in Aquatic Systems (see Division of Environmental Chemistry, Sun, Mon, page 84)

Lifetimes in Chemistry: Issues and Results from the Mature Career Chemists Study (see Committee on Economic & Professional Affairs, page 58)

Safety Management and Regulations {see Division of Chemical Health & Safety, Mon, page 72)

Chemical Separations (see Division of Chemical Technicians, Tue, page 75)

Chemical-Biological Interactions in Contaminant Fate (see Division of Environmental Chemistry, Mon, Tue, Wed, Thu. page 84)

Environmental Chemistry: Emphasis on EPA and EPA-Supported Research (see Division of Environmental Chemistry, Tue, Wed, Thu, page 85)

Fertilizers Under Siege: Their Detection, Analysis, and Impact on the Environment (see Division of Fertilizer & Soil Chemistry, Mon, Tue, Wed, page 88)

1990 Clean Air Act Amendments: A Ten-Year Assessment (see Division of Fuel Chemistry, Sun, page 89)

Inorganics in Fossil Fuels, Waste Materials, and Biomass: Characterization, Combustion Behavior, and Environmental Issues (see Division of Fuel Chemistry, Mon, page 89)

Waste Materials Recycling for Energy and Other Applications (see Division of Fuel Chemistry, Sun, Mon, page 89)

Environmental Inorganic Chemistry (see Division of Inorganic Chemistry, Thu, page 101)

Employment Agreements: Boon or Bane? (see Division of Professional Relations, Mon, page 137)


SUNDAY MORNING

Section A Renaissance Washington Congressional Hall Β

• Clean Solvents Aqueous and Others

M. A. Abraham, L. Moens, Organizers 8:30—1. Homogeneous catalytic oxidation of

olefins in C02-expanded organic solvents. B. Subramaniam, G. T. Musie, D. H. Busch, M. Wei

8:55—2. Prevention of photoresist pattern collapse by using liquid carbon dioxide. Y. Jincao, M. A. Matthews

9:20—3. Fluorous solvents in oxidation reactions. K. S. Ravikumar, V. Kesavan, D. Bonnet-Delpon, J-P. Begue

9:45—4. Metal-mediated/-catalyzed C-C bond formations in alternative media. C. J. Li

10:10—5. Developing green chemistry: Or-ganometallic reactions in aqueous media. T. H. Chan, Y. Yang, W. Lu, L. Li

10:35—6. Development of micellar solvents. R. Govind


• Emerging Technologies: Hazardous Waste Management D. W. Tedder, Organizer 8:30—7. Immobilization of heavy metals in

soils and water by a manganese mineral. Z. Li, J. A. Ryan, J-L. Chen, S. Al-Abed

9:00—8. Removal of aroclor 1016 from contaminated soil by solvent extraction soil agglomeration process. A. Majid, B. D. Sparks, S. Argue

9:30—9. Role of chelator, fertilizer, and rhi-zobacteria for enhancing phytoremedia-tion of heavy-metal-contaminated soil. H. Chen, T. J. Cutright

10:00—Intermission. 10:30—10. Solubility of polycyclic aromatic

hydrocarbons under hydrothermal conditions. I. S. Jayaweera, J. Diaz-Ferrero

11:00—11. Remediation of heavy-metal-contaminated solid wastes using agglomeration techniques. A. Majid, S. Argue

11:30—12. Vapor extraction mechanism in oil-contaminated soil remediation. J. Li, Y. Nie

SUNDAY AFTERNOON

Section A Renaissance Washington Congressional Hall Β

• Clean Solvents Ionic Liquids

M. A. Abraham, L. Moens, Organizers 1:30—13. Synthesis, characterization, and

properties of ionic liquids for green synthesis. K. R. Seddon, A. Stark, M. J. Torres

1:55—14. Chemical and physical characteristics of room-temperature ionic liquids and the associated implications for their use as solvent alternatives. A. E. Visser, R. P. Swatloski, W. M. Reichert, R. D. Rogers

2:20—15. Clean synthesis in ionic liquids. M. J. Earle

2:45—16. Ionic liquids: Clean solvents for tin-mediated allylation reactions. C. M. Gordon

3:10—17. Selected applications of ionic liquids in synthesis. R. D. Singer

3:35—18. Room-temperature ionic liquids as designer solvents: Manipulation of solvent properties through simple variation in ionic composition. R. D. Rogers, A. E. Visser, R. P. Swatloski, W. M. Reichert

4:00—19. Molecular recognition in ionic liquids. S. Dai

92 JULY 24, 2000 C&EN

Section B Renaissance Washington Room 16

H Functional Nanostructures Nanoscale Assemblies

L. R. Sita, Organizer, Presiding 1:00—Introductory Remarks. 1:10—20. Self-assembling and nanostruc-

tured materials through supramolecular chemistry. S. I. Stupp

1:40—21. Coordination-driven rational self-assembly of nanoscale macrocycles. P. J. Stang

2:10—22. Dendrimer-encapsulated nanopar-ticles: Applications to catalysis. R. M. Crooks, V. Chechik, L Sun, L. Yeung, M. Zhao

2:40—23. Colloidal quantum rods. A. P. Alivisatos

3:10—24. Communication with single molecules. D. N. Reinhoudt

3:40—25. Interlocked nanosystems. J. F. Stoddart


• Emerging Technologies: Hazardous Waste Management D. W. Tedder, Organizer 1:30—26. Investing in new ideas, new tech

nologies, and new markets: The Advanced Technology Program. J. D. Hewes

2:00—27. Improving Fenton degradation by forming hydroxyl radical at the pollutant microenvironmental site. M. A. Tarr, G. Xu, J. Lu, M. Ε. Lindsey

2:30—28. Photocatalysis for the removal of MTBE from drinking-water supplies. E. Sah le-Demess ie , J . Enriquez, C. Almquist, Q. Zhao

3:00—Intermission. 3:30—29. Photocatalysis on high-porosity,

low-density UV titanium dioxide aerogels for indoor air decontamination. M. Dreyer, L. L. Lobban, G. Newman, J. H. Harwell

4:00—30. Purification of sulfate-polluted water. J. P. Smit

4:30—31. Regeneration of water treatment resins containing perchlorate with frequency-specific microwave energy. G. M. Lane

SUNDAY EVENING Renaissance Washington 12-14

Poster Session A. H. Bond, Organizer M. L. Dietz, A. H. Bond, Presiding 8:00-10:00 32. Join the Separation Science & Technolo

gy Subdivision of the ACS l&EC Division! A. H. Bond, K. L. Nash

33. Synthesis of metal nanowires and low-temperature electron-transport properties. T. E. Mallouk, B. K. Kelley, B. R. Martin, J. K. N. Mbindyo, P. Smith, T. S. Mayer, T. Jackson, M. W. H. Chan

34. Lattice-oriented growth of single-walled carbon nanotube. M. Su, A. Buldum, J. P. Lu, J. Liu

A Catalysis



• Environmental H Materials * Pharmaceuticals & Life

Sciences


35. Photoinduced electron transfer in porphyrin-oxide semiconductor-viologen triads. B. A. Lewis, C. C. Waraksa, G. B. Saupe, D. M. Kaschak, R. E. Schaak, T. E. Mallouk

36. Supramolecular hydrogen-bonded assemblies through melamine-barbiturate recognition. O. Félix, P. Timmerman, D. N. Reinhoudt

37. Novel 1:3 hydrogen-bonded assemblies based on cyanuric acid and melamine. M. Arduini, P. Timmerman, D. N. Reinhoudt

38. Self-assembled molecular capsules based on ion-paired reinforced hydrogen bond interactions. F. Corbellini, P. Timmerman, D. N. Reinhoudt

39. Pattern formation on surfaces. M. A. Deij, J. Huskens, D. N. Reinhoudt

40. Electrochemical deposition of nanostructures. B. W. Maynor, Y. Li, J. Liu

41. Crystallographic characterization of solid-state analogs of room-temperature ionic liquid solvents. R. P. Swatloski, A. E. Visser, W. M. Reichert, R. D. Rogers

42. Ionic composition as a variable to fine tune the physical properties of room-temperature ionic liquids. W. M. Reichert, A. E. Visser, R. P. Swatloski, R. D. Rogers

43. Liquid/liquid extraction of actinides in room-temperature ionic liquids. R. D. Rogers, A. E. Visser, R. P. Swatloski, W. M. Reichert

44. New classes of ionic liquids. M. J. Lesko, W. A. Seitz, A. Balaban

45. Optimization of solvent extraction systems using molecular mechanics methods. M. L. Dietz, A. H. Bond, R. Chiarizia, A. W. Herlinger, V. J. Huber, B. P. Hay, J. W. Finch

46. Optimizing production activated carbon separations through solvent modification. T. C. Williams, P. Rahn

47. Using prepacked carbon cartridges to reduce loose media handling. T. C. Williams, P. Rahn

48. Synthesis of polymer-supported 14-crown-4 and its lithium sorption capacities. C. L. Stine, S. D. Alexandratos, B. A. Moyer, R. A. Sachleben

49. Synthesis and characterization of a divi-nylbenzene polymer designed for Fe(lll) and Al(lll) chelation. H. Boukhalfa, S. M. Trzaska, A. L. Crumbliss

50. Molecularly imprinted permeable membrane for uranyl ion. A. Kimaro, L. Kelly, G. Murray

51. Selective ion-exchange films for technetium sensors. T. L. Hubler, S. A. Bryan, C. J. Seliskar, W. R. Heineman

52. Uranium dibutyl phosphate chemistry. B. Powell, M. C. Thompson, J. D. Navratil

53. Mercury-free dissolution of aluminum-clad nuclear fuel tubes. J. Crown, W. J. Crooks III, J. D. Navratil

54. Interaction of uranium and plutonium process solutions with concrete. S. L. Thompson, M. G. Bronikowski, R. A. Fjeld, J. D. Navratil

55. Actinide release and matrix dissolution during experimental washing of Hanford sludge waste simulants. A. H. Bond, K. L. Nash, A. V. Gelis, M. P. Jensen

56. Vinyl ether formulations for solventless, electron-beam-cured coating processes. T. Woo, J. Y. Huh, D. E. Nikles

57. Solventless, electron-beam-cured acry-late coating formulations for flexible magnetic media manufacture. S. Hait, Y. Hu, J. Y. Huh, D. E. Nikles

58. Density functional theory modeling of cy-clohexane partial oxidation in millisecond single-gauze reactors. L. D. Schmidt, R. P. O'Connor

59. Chemical processing of core-shell gold and alloy nanoparticles for novel catalysts. M. M. Maye, N. K. Ly, Y. Lou, C-J. Zhong

60. Combinatorial discovery of carbon monoxide tolerant catalysts. T. E. Mallouk, B. C. Chan, G. Chen, Y. Sun, R. Viswanathan, H. W. Lei, B. Gurau, E. S. Smotkin, R. R. Willis, S. R. Bare

61. Discovery of bifunctional catalysts for polymer electrolyte membrane regenerative fuel cells by combinatorial electrochemistry. G. Chen, B. C. Chan, S. Saran-gapani, T. E. Mallouk

62. High-throughput screening of heterogeneous catalysts by laser-induced fluorescence imaging. H. Su, E. S. Yeung

63. Isothermal, nonoxidative, two-step methane conversion over unsupported and supported Ru and Pt catalysts. M. C. J. Bradford

64. S-Alkylation of 2-mercaptobenzimidazole under triphasé catalysis. M-L. Wang, W-L. Bee

65. Synthesis and properties of 3-substituted pyridinium salts. J. Pernak

66. New process for p-phenylenediamine without o- and m-isomers. Y. J. Joo, J-E. Kim, J-l. Won, K-U. Hwang

67. Leo Hendrik Baekeland Award: A 56-year partnership between industry and the ACS in North Jersey. L. McQuire, A. Cheung, A. Cooper, P. Giannousis, D. Sans, R. Shekhar, W-C. Shieh, J. Sowa, B. Wagner

68. Ongoing industrial participation in the North Jersey Section: Bench to pilot plant, chemical expo, careers in transition, Project SEED, topical groups, and small businesses. S. Fahrenholtz, A. Brando-lini, J. Brown, A. Cooper, L. Sello, E. Harris, V. Kuck, L. McQuire, A. Metzner, B. Suits

69. Laboratory robotics interest group: A success story of a user-driven ACS topical group. D. S. France, A. Zaayenga, W. Haller

70. Chemistry as a life science symposium: An industrial success in New Jersey. L. McQuire, S. Chackalamannil, W. Corbett, R. Cregge, R. Ewing, S. Hall

MONDAY MORNING

Section A

Renaissance Washington Room 10-11

• Clean Solvents Supercritical C02

M. A. Abraham, L. Moens, Organizers

8:30—71. Triple bottom line. J. M. DeSi-mone, D. K. Taylor

8:55—72. Hydrogénation at supercritical single-phase conditions. M-B. Mâcher, M. Hàrrod, S. van den Hark, P. Moller

9:20—73. Use of supercritical or subcritical gases as solvent substitutes for homogeneous catalysis. P. G. Jessop, D. C. Wynne, C. Thomas, R. J. Bonilla, R. A. Brown

9:45—74. Supercritical and split-phase C02

as an environmentally benign medium for Friedel-Crafts reactions. J. E. Chateau-neuf, J. Foote, K. Nie

10:10—75. Reaction engineering of continuous chain-growth polymerizations in sc-C02. P. A. Charpentier, G. W. Roberts, J. M. DeSimone

10:35—76. Solvent recovery system using supercritical C02. R. Agrawal, K. Con-nery, R. Wildasin

11:00—77. Clean separations with ionic liquid/C02 systems. L. A. Blanchard, Z. Gu, J. F. Brennecke, E. J. Beckman

Section Β Renaissance Washington Grand Ballroom South

Η Functional Nanostructures Molecular Electronics

L. R. Sita, Presiding 8:30—78. Constructing a computer from mo

lecular components. J. M. Tour 9:00—79. Nanoscale self-assembly routes to

optically functional thin films. T. J. Marks 9:30—80. Design and synthesis of a mole

cule for a "molecular photoelectronic switch". F. Wudl, B. Ma, J. Heath, C. P. Collier, E. W. Wong

10:00—81. Is there such a thing as a molecular "wire"? L. M. Tolbert

10:30—82. Design and measurement of molecular electronic switches. M. A. Reed

11:00—83. Mediating electron transfer with self-assembled monolayers. L. R. Sita



• Emerging Technologies: Hazardous Waste Management D. W. Tedder, Organizer 9:00—84. Removal of uranium from aqueous

wastes via electrosorption. S. L. Stover, J. W. Zondlo, E. Kennel, G. Glasgow

9:30—85. Supercritical carbon dioxide extraction of chlorinated aromatics from job control waste. J. Li, M. A. Matthews

10:00—Intermission. 10:30—86. Synthesis and characterization of

polymer-bound thiacrowns used for environmental remediation of Hg in aqueous solutions. J. G. Reynolds, T. F. Baumann, A. J. Nelson, G. A. Fox

11:00—87. Testing of Superlig 639 for Tc removal from Hanford tank wastes. D. L. Blanchard Jr., D. E. Kurath, B. M. Rapko, J. R. Bontha, M. E. Johnson

11:30—88. Transient behavior and light intensity effect in Ti02 photocatalytic oxidation of nitric oxide. S. Devahasdin, K. Li, D. H. Chen

MONDAY AFTERNOON


• Clean Solvents Solvent Design

M. A. Abraham, L. Moens, Organizers 1:30—89. Designing greener solvents for

various environmental requirements. M. Li, P. F. Harten, H. Cabezas, R. Zhao, M. R. Green

1:55—90. Solvent selection under uncertainty. K. J. Kim, U. M. Diwekar, K. G. Joback

2:20—91. DMSO: A clean, unique, superior solvent. R. P. Vignes

2:45—92. Methyl soyate: A new solvent alternative. S. G. Wildes

3:10—93. Tertiary butyl acetate as a new process solvent. G. B. Kelly, A. H. Berks, M. J. Szady

3:35—94. Utilizing an adipic acid coproduct stream for the manufacture of an environmentally friendly solvent: DBE. N. Kob

Section Β Renaissance Washington Grand Ballroom South

Η Functional Nanostructures Nanostructured Materials

L. R. Sita, Presiding 1:00—95. Gas sensing and detection with

porous silicon chips. S. E. Létant, M. J. Sailor, T. T. Tan, F. Zennhausem

1:30—96. Functional nanostructured materials via the polymerization of liquid-crystal assemblies. D. L. Gin

2:00—97. Controlling interfacial interactions at the subnanometer scale. T. R. Lee, Y-S. Shon, S. Lee, R. Colorado Jr., S. S. Perry

2:30—98. Functionalization and applications of nanostructured silicon and germanium. J. M. Buriak, M. P. Stewart, H. C. Choi, K. Choi

3:00—99. Novel molecular recognition and catalysis of nanostructured core-shell nanoparticles. C-J. Zhong, W. Zheng, M. M. Maye, L. Han, Y. Lou, F. L. Leibowitz, N. K. Ly, L. B. Israel, D. R. Daniel

3:30—100. Nanoparticles encaged in cross-linked resorcinarene shells. A. Wei, S. V. Pusztay, K. B. Stavens, R. P. Andres

4:00—101. Nanoscale polymer and metal replicas of colloidal silica. G. L. Egan, J-S. Yu, S. J. Lee, C. H. Kim, R. E. Schaak, T. E. Mallouk

JULY 24, 2000 C&EN 9 3

I&EC/INOR/TECHNICAL PROGRAM


• Green Chemistry: Applications in Academia and Industry Medicinal

Cosponsored with Society Committee on Education P. T. Anastas, T. C. Williamson, M. Kirchhoff, Organizers T. C. Williamson, Presiding 1:3fj—Introductory Remarks. 1:35—102. Factors affecting the application

of green chemistry concepts in pharmaceutical R&D: Recent case studies. T. M. Eckrich

2:05—103. Photochemical alternative to acy-lation reactions. G. A. Kraus

2:35—104. Tailored solvents for pollution prevention in the pharmaceutical industries. T. A. Hatton, B. Chin, L. Cermenati, S. L. Buchwald, M. P. Thien

3:05—105. Templated photodimerization of /V,/V-dialkylcinnamamides. J. C. Warner, B. Ferla


Sci-Mix A. H. Bond, M. L. Dietz, Organizers 8:00-10:00 50, 32-49, 51-70. See previous listings.

TUESDAY MORNING

Section A Renaissance Washington Grand Ballroom South

• Green Chemistry: Applications in Academia and Industry Organic

Cosponsored with Society Committee on Education J. C. Warner, Organizer, Presiding 8:30—Introductory Remarks. 8:35—106. Green chemistry. D. J. Sand

man, M. A. Rixman, Z. H. Tsai, D. Wu, l-B. Kim

9:05—107. Environmentally benign process for Friedel-Crafts acylation. M. Walker, P. M. Birmingham, M. S. Balshi, A. J. Lauster

9:35—108. Environmentally benign, biomi-metic approach to assembling nanostruc-ture arrays. J. E. Hutchison, L. I. Clarke, C. A. Berven, M. N. Wyboume, J. Mooster

10:05—Intermission. 10:25—109. Catalytic properties of metal ox

ides under ambient conditions. M. C. Foster, M. L. D'Agostino, M. M. Furse, J. E. Pyers

10:55—110. Design, synthesis, and study of a novel potassium sensor. C-J. Li, W-S. Xia

11:25—111. Synthesis of partially oxygenated hydrocarbons using photocatalysis in a laminar falling film slurry reactor. M. A. Gonzalez, A. Q. Zhao


Η Functional Nanostructures Bioinspired/Biofunctional Materials L. R. Sita, Presiding 8:30—112. Genetic analysis by primer exten

sion on DNA arrays (APEX). M. Pirrung 9:00—113. DNA nanostructure arrays. N. C.

Seeman 9:30—114. Functional nanostructures based

on photosynthetic concepts. D. Gust, T. A. Moore, A. L. Moore

10:00—115. Nanoscale constructs inspired from biological systems. K. L. Wooley, J. Liu, Q. Zhang, Q. Ma, K. S. Murthy, E. E. Remsen, T. Kowalewski

10:30—116. Self-assembled ionophores: Toward tubes and channels. J. T. Davis

11:00—117. High aspect ratio, segmented metal nanoparticles for bioassays and nanoscale electronics. C. D. Keating, M. Natan, T. E. Mallouk, T. S. Mayer

11:30—118. Glycodendrimers as nanode-coys for the inhibition of virus-cell adhesion. R. Esfand, D. A. Tomalia, L. T. Piehler, J. R. Baker, J. D. Reuter, R. Roy

Chemical Education Applied to World Needs cosponsored with Division of Chemical Education (see page 71)

TUESDAY AFTERNOON


• Green Chemistry: Applications in Academia and Industry Organic

Cosponsored with Society Committee on Education J. C. Warner, Presiding 1:30—119. Highly diastereoselective and en

vironmentally benign synthesis of ho-mopropargyl difluoroamines in aqueous media from a stable allenyl indium(l) intermediate. G. B. Hammond, Z. G. Wang

2:00—120. Green photoresists based on DNA photodimerization. J. C. Warner, A. Morelli, S. Dew, L. Lloyd-Kindstrand

2:30—121. Microwave-facilitated multicom-ponent reactions under solvent-free conditions. R. S. Varma

3:00—Intermission. 3:20—122. Ultrasonic C-H bond activation in

aqueous media on a reusable metallic template: Stereospecific 1H-2H isotopic exchange in carbohydrates. E. A. Cioffi

3:50—123. Recent advance on C-C bond formation in aqueous media. C-J. Li

4:20—124. Noncovalent derivatization: Pollution prevention using molecular recognition and self-assembly. J. C. Warner, G. Cesar, F. Epie, A. Morelli, S. Najah, J. Wang


M Functional Nanostructures Nanofabrication/Nanolithography

L. R. Sita, Presiding 1:00—125. 1-D nanostructures: From funda

mental science to building blocks for nano-technologies. C. M. Lieber

1:30—126. Nanofabrication of self-assembled monolayers using scanning probe lithography. G-Y. Liu

2:00—127. Dip-pen nanolithography: State-of-the-art and new frontiers. C. A. Mirkin

2:30—128. Measuring and controlling properties at the nanometer scale. P. S. Weiss

3:00—129. Dendritic encapsulation as "molecular insulation." C. Gorman

3:30—130. Dissolution of single-walled carbon nanotubes. M. A. Hamon, J. Chen, H. Hu, M. E. Itkis, P. Bhowmik, S. M. Rozen-zhak, A. M. Rao, R. C. Haddon


Chemical Education Applied to World Needs cosponsored with Division of Chemical Education (see page 71)

WEDNESDAY MORNING


• Green Chemistry: Applications in Academia and Industry Polymeric Materials: Science and Engineering

Cosponsored with Society Committee on Education T. C. Williamson, M. Kirchhoff, P. T. Anastas, Organizers P. T. Anastas, Presiding 8:30—Introductory Remarks. 8:35—131. Environmentally compliant

corrosion-resistant coatings for industrial applications. R. E. Myers

9:05—132. Ethyl lactate: A green solvent for magnetic tape coating. D. E. Nikles, S. M. Nikles, M. Piao, A. M. Lane

9:35—133. Removal of polymer coatings with supercritical fluids. L. L. Williams, J. B. Rubin

10:05—Intermission. 10:25—134. Green automotive fuels. P. F.

Waters 10:55—135. Adsorptive separations for the

recovery of compounds from renewable resources. T. Chen, K. L. Mardis, M. K. Gilson, G. F. Payne


Advanced Materials and Nanotechnology Carbon Nanomaterials

R. C. Haddon, Organizer 8:00—136. Computing isomeric fullerenes: A

profound enthalpy/entropy interplay. Z. Slanina, X. Zhao, E. Osawa

8:20—137. Synthesis and photophysical properties of porphyrin-fullerene hybrids. S. A. MacMahon, S. R. Wilson, D. I. Schuster

8:40—138. Photocycloaddition of 3-methyl-2-cyclohexen-1-one to [70]-fullerene. J. Rosenthal, A. C. Khong, D. I. Schuster

9:00—139. Electrochemical properties of fullerene derivatives. L. Echegoyen, M. Beulen

9:25—140. Oxidation of fullerenes and fullerene derivatives. R. G. Bergosh, J. Kieg-iel, M. S. Meier, M. M. Meyer

9:50—141. Fullerene nanotools from biology: Anti-C60 antibodies and their characterization by X-ray crystallography. S. R. Wilson

10:15—142. Synthesis and photophysical study of alkene- and stilbene-linked fullerene-porphyrin dyads. P. J. Bracher, B. Nuber, A. U. Khan, S. R. Wilson, D. I. Schuster

10:35—143. Toward an understanding of the water solubility of fullerene derivatives. C. F. Richardson, D. I. Schuster, S. R. Wilson

10:55—144. Graphite nanofibers as catalyst support for platinum. K. Laubernds, A. Wootch, Z. Paal, R. T. K. Baker

11:15—145. Synthesis of graphite nanofibers from the decomposition of CO/H2 over iron/copper supported catalysts. P. E. Anderson, O. Carneiro, Ν. Μ. Rodriguez

11:35—146. Use of platinum supported on graphite nanofibers for methanol oxidation. C. A. Bessel, K. Laubernds, Ν. Μ. Rodriguez, R. T. K. Baker

WEDNESDAY AFTERNOON


Advanced Materials and Nanotechnology Carbon Nanomaterials

R. C. Haddon, Organizer 1:00—147. Characterization of platelet

graphite nanofibers: A novel graphitic material. P. E. Anderson, S-H. Yoon, Ν. Μ. Rodriguez

1:20—148. Chemical modification of carbon nanotube sidewalls: Quantum chemistry calculations and molecular simulations. R. L. Jaffe

1:45—149. (Carbon nanotube)/polymer composite fiber formation in the melt blowing process. G. Newman, D. Wilkinson, R. Shambaugh, B. Mathews

2:05—150. Effect of localized heating on the synthesis of carbon nanostructures. C. Marotta, R. T. K. Baker

2:25—151. Synthesis, properties, and applications of graphite nanofibers. R. T. K. Baker


2:50—152. Optical-limiting properties of suspended and solubilized carbon nanotubes. Y-P. Sun, J. E. Riggs, B. Martin, D. L. Carroll

3:15—153. Fluorination, defluorination, and derivatization of single-wall carbon nanotubes. I. W. Chiang, E. T. Michelson, P. J. Boul, R. H. Hauge, R. E. Smalley, J. L. Margrave

3:35—154. Gas-phase purification of single-wall carbon nanotubes. J. L. Zimmerman, R. K. Bradley, C. B. Huffman, R. H. Hauge, J. L. Margrave

3:55—155. Liposomes vs. carbon nanotubes as small-molecule vessels for drug delivery. A. N. Kirschner, S. R. Wilson

4:15—156. Quantitative determination of functional groups on chemical-modified carbon nanotube. Y. Sun, S. R. Wilson

4:35—157. Quick identification of highly active catalysts for nanotube synthesis. G. Newman, B. Mathews, D. Wilkinson


• Green Chemistry: Applications in Academia and Industry Polymeric Materials: Science and Engineering

Cosponsored with Society Committee on Education P. T. Anastas, Presiding 1:30—158. Selective catalytic processing of

lactic acid to commodity chemicals. R. D. Cortright, J. A. Dumesic

2:00—159. Use of hydrophobic molecular sieves for the adsorption of CVOCs from water. A. Xhaja, R. W. Thompson, R. Denkewicz Jr.

2:30—Intermission. 2:45—160. PVC alternative technology to re

define the way you think about plastics. D. Highfield

3:15—161. Solid supported organotin hydrides for hydrogénation of fine chemicals. S. C. Tsang, Q. J. Fu, A. M. Steels

3:45—162. Wood paint products: Life cycle assessment studies. A. Scipioni, F. Arena, A. Schiavon

THURSDAY MORNING


• Green Chemistry: Applications in Academia and Industry Catalysis

Cosponsored with Society Committee on Education

R. S. Varma, Organizer, Presiding

8:30—Introductory Remarks. 8:35—163. Environmentally friendly silica-

supported copper phenanthroline catalysts. S. C. Bowman, S. P. Watton

9:05—164. Ionic liquids as media for catalytic C-C coupling reactions. J. Xiao, W. Chen, L. Xu, J. Ross

9:35—165. Microwave-assisted catalytic reactions for green chemistry. A. K. Bose, M. S. Manhas, A. Bhattacharjee, U. Shah, S. Rumthao, A. H. Sharma, Τ. Μ. Cattabi-ani

10:05—Intermission. 10:25—166. Development of heterogeneous

catalysts for hydroformylation in supercritical C02. M. A. Abraham, G. Snyder, A. Tadd

10:55—167. Use of supercritical carbon dioxide for partial oxidation of hydrocarbons using clean oxidants. E. Sahle-Demessie, M. Gonzalez, J. Enriquez

11:25—168. Ligand effects in hydroformylation in supercritical carbon dioxide. J. Xiao, A. Banet, W. Chen

94 JULY 24, 2000 C&EN

Section B Renaissance Washington Room 16

Advanced Materials and Nanotechnology Nanostructured Materials

R. C. Haddon, Organizer 8:30—169. Noncovalent synthesis of nano-

size metallodendrimers. H-J. van Manen, F. C. J. M. van Veggel, D. N. Reinhoudt

8:50—170. Recognition properties of porphyrin-calix[4]arene ion-pair complexes. R. Fiammengo, P. Timmerman, D. N. Reinhoudt

9:10—171. Nanostructure Pd catalyst for hydrogen peroxide formation. Β. Zhou, T. L. Κ. Lee, A. G. Comolli

9:30—172. Dendrimer/metal sulfide nano-composites. L. Balogh, D. A. Tomalia

9:50—173. Unique discotic liquid crystals: Hexabenzocoronenes—synthesis and characterization. A. Fechtenkoetter, K. Mullen

10:10—174. Nanosize silicalite-filled PDMS membranes for pervaporation of acetic acid/water solutions. S-Y. Lu, H-Y. Huang

10:30—175. Functional self-assembled nanotubular architectures. H. Fenniri, K. L. Vidale, J. G. Moralez, P. Mathivanan, K. Hallenga, K. V. Wood

10:50—176. Using thioether derivatives as inks in microcontact printing. J. Huskens, M. Liebau, D. N. Reinhoudt

11:10—177. Millimeter wave gyrotron processing of nanocrystalline metallic films and powders using the polyol process. L K. Kurihara, D. Lewis III, A. W. Flilflet, R. W. Bruce

THURSDAY AFTERNOON


• Green Chemistry: Applications in Academia and Industry Cellulose, Paper, and Textile

Cosponsored with Society Committee on Education T. C. Williamson, P. T. Anastas, M. Kirchhoff, Organizers M. Kirchhoff, Presiding 1:00—Introductory Remarks. 1:05—178. BioPreparation of cotton textiles:

A cost-effective, environmentally compatible preparation process. L. A. Henderson, J. Liu

1:35—179. TAML peroxide activators: Chemistry and applications in paper and textile effluent treatment. T. J. Collins, C. P. Horwitz, A. D. Ryabov, L. D. Vuocolo, S. S. Gupta, A. Ghosh, N. L. Fattaleh, Y. Yangun, B. Steinhoff, E. Beach, D. Pra-suhn Jr., C. A. Noser, L. J. Wright, T. Stuthridge, K. G. Wingate

2:05—Intermission. 2:25—180. Polymer-based aqueous biphasic

systems for reaction engineering of the Kraft pulping process. H. D. Willauer, J. G. Huddleston, M. Li, Z. Guo, G. C. April, R. D. Rogers

2:55—181. Decoloring process in new decol-orable printing ink. N. Ikeda, S. Takaya-ma, S. Machida, T. I. Urano, A. Tanaka, M. Oguchi, T. Nomaki, K. Sano

• Catalysis



• Environmental Ν Materials * Pharmaceuticals & Life

Sciences

Φ Science & Intellectual Policies

3:25—182. Attainment of the theoretical yield of carbon from biomass. M. J. Antal, M. S. Tarn, X. Dai, S. G. Allen, B. Shimizu, M. Gronli


Advanced Materials and Nanotechnology Nanostructured Materials

R. C. Haddon, Organizer 1:00—183. Defect-tolerant single-electron

charging effects in metal nanoparticle arrays chemically assembled on biomolecu-lar scaffolds. J. E. Hutchison, L. I. Clarke, M. N. Wybourne, C. A. Berven

1:25—184. Electrically useful materials from self-assembly interactions. Τ. Ε. Mallouk, B. R. Martin, D. L Dermody, J. Κ. Ν. Mbindyo, B. D. Reiss, D. Furnange, M. Carbossi, P. Smith, N. I. Kovtyukhova, C. D. Keating, T. S. Mayer, M. Natan

1:50—185. Growth and characterization of an electron staircase with exfoliated layered semiconductor sheets. C. C. Warak-sa, B. A. Lewis, G. B. Saupe, D. M. Kas-chak, R. E. Schaak, T. E. Mallouk

2:15—186. Processing of PZT and PLZT nanopowders and thick films. S. Bose, A. Bandyopadhyay

2:40—187. DNA-directed assembly of gold nanorods for application in electronic devices. J. K. N. Mbindyo, B. D. Reiss, B. R. Martin, C. D. Keating, M. J. Natan, T. E. Mallouk

3:05—188. Role of disorder on the electronic and optical properties of assemblies of quantum nanodots. F. Remade

3:30—189. Fabrication of silicon nanostruc-tures with well-defined dimensions and shapes. Y. Xia, Y. Yin, B. D. Gates

3:55—190. Synthesis of nanoscale carbon nitride. J. L. Zimmerman, V. Khabashes-ku, J. L. Margrave

4:20—191. Preparation of nanoscale semiconductors through the rapid expansion of supercritical solution (RESS) into liquid solution. F. Lin, R. Guduru, P. Atomgitjawat, Y-P. Sun

INOR

DIVISION OF INORGANIC CHEMISTRY M. Zimmer, Program Chair

SUNDAY MORNING

Section A Renaissance Washington Auditorium

Bioinorganic: Model Compounds M. Zimmer, Organizer K. D. Karlin, Presiding 9:10—1. Oxygenation of nitrosylated heme

proteins. C. M. Carter 9:30—2. Heme/nonheme tethered tetraaryl-

porphyrin as a model for the study of the active site reactivity in bacterial nitric oxide reductase. I. M. Wasser, T. D. Ju, K. D. Karlin

9:50—3. Synthesis, properties, and mechanistic studies of a stable iron oxo complex derived from dioxygen. C. E. Mac Beth, A. P. Glombek, M. Hendrich, V. G. Young Jr., A. S. Borovik

10:10—4. Rapid, reversible oxo transfer to bromide, a model haloperoxidase. N. Jin, J. L. Bourassa, J. T. Groves

10:30—5. Copper-dioxygen reactivity: Li-gand design for the oxidative N- and O-dealkylation of endogenous substrates. H-C. Liang, C. X. Zhang, K. D. Karlin

10:50—6. Synthetic modeling of cytochrome c oxidase: Dioxygen reactivity of a hetero-binuclear heme-copper complex. R. A. Ghiladi, K. D. Karlin

11:10—7. Effect of ligand variations on the formation and reactivity of copper-dioxygen adducts with tridentate ligands. C. X. Zhang, H-C. Liang, E-l. Kim, K. D. Karlin

11:30—8. Preparation and pulsed ELDOR spectroscopy of the Mo(V)/Fe(lll) state of sulfite oxidase. J. H. Enemark, R. Codd, A. V. Astashkin, A. M. Raitsimring, A. Pa-checo

Section Β Renaissance Washington Renaissance East

Density Functional Theory in Inorganic Chemistry Tutorial on DFT in Inorganic Chemistry

Β. Ε. Bursten, Organizer W. F. Schneider, Presiding 8:30—9. Density functional theory: Practical

applications and issues. D. A. Dixon, J. A. Nichols, J. Garza

9:05—10. Accuracy of DFT methods for calculating transition-metal compounds. G. Frenking

9:40—11. Comparison of DFT and ab initio methods for transition-metal complexes. Μ. Β. Hall

10:15—Intermission. 10:30—12. Time-dependent DFT calcula

tions for excitation energies of transition-metal complexes. E. J. Baerends, S. van Gisbergen, A. Rosa

11:05—13. Using effective core potentials and basis sets in DFT calculations. P. J. Hay, R. L. Martin


Section C Renaissance Washington Renaissance West A

Main Group M. Zimmer, Organizer K. Ruhlandt-Senge, Presiding 9:00—14. Alkaline-earth metal derivatives

containing group IVA ligands: A synthetic and structural study. K. Ruhlandt-Senge, U. Englich, D. Green, J. S. Alexander, D. M. Jenkins

9:20—15. Influence of hydrogen bonding on alkane elimination of aluminum and gallium alkyls. S. J. Obrey, A. R. Barron

9:40—16. Reactions of group 13 alkyls with benzoic acid derivatives. C. S. Branch, A. R. Barron, J. Lewinski

10:00—17. Platinum- and palladium-catalyzed hydroboration and dehydrogenase borylation of olefins with arachno-6,8-C2B7H13: Synthetic, crystallographic, and computational (DFT/GIAO/NMR) studies. D. E. Kadlecek, P. J. Carroll, L G. Sneddon

10:20—18. Novel uranium-phosphorus chemistry. F. H. Stephens, P. L. Arnold, P. L. Diaconescu, C. C. Cummins

10:40—19. Symmetry of metal chelates. C. L. Perrin, Y-J. Kim

11:00—20. Synthesis and characterization of organoindium(lll) β-diketonate derivatives. D. J. MacRae, Ο. Τ. Beachley Jr.

21. Withdrawn.


Section D Renaissance Washington Renaissance West Β

Catalysis M. Zimmer, Organizer M. E. Wright, Presiding 8:30—22. Reactivity of iridium boryl, aryl,

and hydride complexes and their relevance to catalytic C-H activation. J-Y. Cho, M. R. Smith III

8:50—23. Stable products of C-H addition to an iridium-based alkane-dehydrogenation catalyst. M. Kanzelberger, B. Singh, M. Czerw, K. Krogh-Jespersen, A. S. Goldman

9:10—24. Stoichiometric and catalytic het-erocumulene metathesis by an iridium guanidinate complex and its analogs. A. W. Holland, R. G. Bergman

9:30—25. Novel bisoxazoline pincer ligands: Formation and catalytic activity of air-stable, mononuclear rhodium(ll) complexes. M. Gerisch, J. R. Krumper, T. D. Tilley, R. G. Bergman

9:50—26. In situ characterization of rhodium hydroformylation catalysts based on bulky phosphorus amides. P. C. J. Kamer, S. C. van der Slot, P. W. N. M. van Leeuwen

10:10—27. Chiral catalysts based on C2-symmetric phenanthrolines. M. E. Wright, D. A. Schorzman

10:30—28. Single-step synthesis of adipic acid by catalytic oxidation of cyclohexane. G. K. Weakley, C. Xu, D. E. Richardson

10:50—29. Stoichiometric and catalytic reactions of titanium e-6-arene complexes. F. T. Ladipo, O. V. Ozerov, C. P. Brock, B. O. Patrick, S. Parkin

11:10—30. Synthesis, structures, and catalysis of neutral tripodal amidozirconium alkyls and hydrides. L. Jia, E. Ding

11:30—31. Study of bulky aryloxide dinucle-ar Lewis acid catalysts. A. Cottone III, M. J. Scott

11:50—32. Design of self-initiating indenyl nickel(ll) catalysts for Si-Η bond activation. F-G. Fontaine, D. Zargarian

12:10—33. Ligand variation in molybdenum imido alkylidene ring-closing metathesis catalysts. J. Y. Jamieson, R. R. Schrock

* Recent Advances in the Interactions of Metal Complexes with Nucleic Acids and Their Components cosponsored with Division of Chemical Education (see page 68)

SUNDAY AFTERNOON


• Aspects of Biological Electron Transfer Cosponsored with Division of Physical Chemistry B. Hoffman, M. R. Wasielewski, Organizers J. M. Nocek, Presiding 1:00—Introductory Remarks. 1:05—34. Understanding electron-transfer

systems in proteins. C. C. Page, X. Chen, C. C. Moser, P. L. Dutton

1:35—35. Mechanisms of charge separation in the bacterial photosynthetic reaction center. D. Holten, C. Kirmaier

2:05—36. On adiabatic contribution to the rate of outer-sphere electron transfers: Reactions of cytochrome c and related transition-metal compounds. G. J. Ferraudi

2:35—37. Mechanistic analysis of long-range electron transfer: Probes from computational chemistry. M. D. Newton

3:05—Intermission. 3:20—38. Electrostatic control of electron trans

fer within protein complexes. B. Hoffman, J. M. Nocek, Z-X. Uang, V. W. Leesch, I. V. Kumikov, D. N. Beratan

JULY 24, 2000 C&EN 9 5

INOR/TECHNICAL PROGRAM

3:50—39. Protein structural and dynamical control of electron transfer in the cytochrome P450 redox chain. T. C. Pochap-sky

4:20—40. Theoretical approaches to biological electron transfer in multicomponent systems. D. N. Beratan, I. V. Kumikov, G. S. M. Tong

4:50—41. Plastocyanin and its dynamic interactions with other metalloproteins. N. M. Kostic


Bioinorganic: Model Compounds D. C. Crans, Presiding

1:30—42. Harnessing Hg(ll) as a metallobio-probe: Dipodal and tripodal ligand systems. D. C. Bebout, G. S. Murphy, M. M. Garland, C. J. VandenBussche, E. V. Bowers, R. J. Butcher, M. E. Kastner

1:50—43. Modeling aspects of the catalytic cycle of liver alcohol dehydrogenase: Experimental and computational studies on Zn-OR bond energies. C. Bergquist, H. Storrie, L. Koutcher, R. Friesner, G. Parkin

2:10—44. Models for metallohydrolase enzymes: Small-molecule analogs of the active site of peptide deformylase. D. P. Goldberg, S. Chang, R. diTargiani, V. Karambelkar

2:30—45. Nucleophilic participation of incoming ligands in the transition state of axial ligation of bromomethyl (aquo) co-baloxime. S. Vaddeboina, S. Sirasani

2:50—46. Aryl radical cations stabilized by π-π interactions. M. A. Halcrow, X. Liu, L. M. L. Chia

3:10—47. Chemistry and insulin-like properties of chromium 2,6-pyridinedicarboxylate complexes. L. Yang, D. C. Crans, V. G. Yuen, J. McNeill, G. R. Willsky

3:30—48. Carrier-facilitated bulk liquid membrane transport of Fe(lll) by first and second coordination shell recognition. A. L. Crumbliss, J. I. Wirgau


• Density Functional Theory in Inorganic Chemistry Tutorial on DFT in Inorganic Chemistry

P. J. Hay, Presiding 1:30—49. Uses of density-functional theory

in the interpretation of photoelectron spectra. J. C. Green

2:05—50. GIAO-DFT approach to the calculation of NMR and ESR parameters. T. Ziegler, S. Patchkovskii, S. K. Wolff, J. Khandogin, G. Schreckenbach, J. Autsch-bach, Y. Ruitz-Morales

2:40—51. Plane-wave pseudopotential density functional theory for inorganic systems. W. F. Schneider

3:15—Intermission. 3:30—52. Tutorial: Case studies in the use of

density functional theory for transition-metal systems, with an emphasis on heterogeneous and homogeneous catalysis, metal alloys, and transition-metal oxides. W. A. Goddard III, R. Muller, A. Strachan, J. Kua, F. Faglioni, D. Philipp, M. Feld-mann, D. Chakraborty, Y-H. Jang, X. Xu, M. Blanco, Y. Tang, T. Cagin

4:05—53. Tutorial on the ONIOM method for inorganic chemistry. K. Morokuma, T. Vreven

4:40—54. Using DFT methods in Jaguar 4.0 to study inorganic systems. R. A. Friesner


9 6 JULY 24, 2000 C&EN


Catalysis D. R. Evans, Presiding 1:20—55. Reactivity and stereoselectivity in

living Ziegler-Natta polymerization of α-olefins by zirconium acetamidinates [η5-C5R5 ]Zr [NR1C(Me)NR2 ]Me2 . R. J. Keaton, K. C. Jayaratne, L. R. Sita

1:40—56. Dimethylmonocyclopentadienyl-zirconium acetamidinates for stereospecif-ic living Ziegler-Natta polymerizations. K. C. Jayaratne, L. R. Sita

2:00—57. Polymerization of 1-hexene by zirconium initiators that contain an arylated diamidopyridine ligand. P. Mehrkhoda-vandi, R. R. Schrock, P. J. Bonitatebus Jr.

2:20—58. Synthesis of 2-anilinotropones and their application as ligands for nickel(ll) olefin polymerization catalysts. M. Brookhart, F. A. Hicks

2:40—59. New palladium(ll)-catalyzed systems for polymerization of olefins. G. S. Long, A. Sen

3:00—60. Olefin polymerization catalysts of novel pyridyl-bridged bisphosphinimine metal complexes. W. Xu, Q. Wang

3:20—61. Olefin polymerization catalyzed by early transition metal tris(pyrazolyl)borate complexes. S. Murtuza, O. L. Casagrande Jr., A. C. Aiub, R. F. Jordan

3:40—62. Palladium-based catalyst for alternating copolymerization of functional alk-enes with carbon monoxide. S. Elyashiv, A. Sen

4:00—63. Pd(ll) β-agostic alkyl cations: Investigation of polymer chain isomerization. R. L. Huff, M. Brookhart

4:20—64. Novel polymerization catalysts of tantalum bearing 1,4-diaza-1,3-diene and methyl methacrylate as auxiliary ligands. K. Mashima, Y. Matsuo, K. Tani

4:40—65. First transition-metal-based catalytic system for the homopolymerization of acrylates by an insertion mechanism. C. N. Elia, A. Sen, A. C. Albéniz, P. Espinet

5:00—66. Single-component ruthenium catalyst performs ring-opening metathesis polymerization and atom transfer radical polymerization. J. Louie, R. H. Grubbs

* Recent Advances in the Interactions of Metal Complexes with Nucleic Acids and Their Components cosponsored with Division of Chemical Education (see page 68)


Poster Session

Bioinorganic, Transition Metals, and General

M. Zimmer, Organizer, Presiding 7:00-9:00 67. Kinetics and thermodynamics of Fe(lll)

chelation by L-lysinehydroxamic acid. J. I. Wirgau, I. Spasojevic, H. Boukhalfa, I. Batinic-Haberle, M. Flaherty, A. L. Crumbliss

68. Electrochemical characterization of self-assembled monolayers at gold surfaces. J. M. Lehnes, K. A. Goldsby

69. Enzyme cleavable MRI contrast agent-prodrug conjugates. T. J. Hubin, T. J. Meade

70. Kinetic and mechanistic studies of peroxide activation by mononuclear and dinu-clear iron complexes. S. V. Kryatov, A. M. Herrera, E. V. Rybak-Akimova

71. Methanol oxidation by platinum supported on graphite nanofibers. C. A. Bessel, K. Laubernds, N. M. Rodriguez, R. T. K. Baker

72. New aspects of cyclidene chemistry. E. V. Rybak-Akimova, A. G. Kolchinski, J. S. Disch, R. Wilson, A. Y. Nazarenko

73. Preparation of iron catalysts for the formation of carbon nanofibers. K. J. Takeu-chi, A. C. Marschilok, N. Dollahon, C. A. Bessel

74. Ruthenium(ll) ligand substitution kinetics: An unusual scorpionate ligand effect by a 2,2-dipyrazolylpropane spectator ligand. K. J. Takeuchi, M. H. V. Huynh, A. C. Marschilok, M. R. Churchill, D. L. Jameson, A. J. Jircitano, L. F. Szczepura

75. Synthesis and characterization of novel molybdenum cluster complexes. L. Szczepura, K. Ketcham

76. Synthesis and characterization of porphyrins with appended clathrochelate complexes. J. J. Grzybowski, A. M. Engtra-kul, M. L. Cook, A. J. DeFail

77. Synthesis and characterization of ruthenium complexes with long-chain nitrile ligands containing pendant thiol groups. K. A. Goldsby, A. Northrop

78. Influence of redox-active meso-substituents on the electrocatalytic reduction of dioxygen by cobalt porphyrins. Q. Cheng, S. Swavey, F. L. Urbach

79. Dioxygen reactivity of structural analog of the heme-copper active site in cytochrome c oxidase. E. Kim, M-A. Kopf, K. D. Karlin

80. Heme-copper oxidase modeling with an imidazole containing copper chelate. K. Kamaraj, K. D. Karlin

81. Haloperoxidase mimicry with water-soluble iron(lll) porphyrins: Kinetics and mechanism. J. L. Bourassa, N. Jin, J. T. Groves

82. Metal-mediated cycloaddition reactions of ethynylporphyrins: New routes to rigid facially functionalized porphyrin structures. J. T. Fletcher, M. J. Therien

83. Use of an iron(lll) porphyrin peroxo complex in the studies of porphyrin-iron/copper dioxygen reactivity. K. M. Kovaleski, K. D. Karlin

84. Analysis of association between electron-transfer proteins plastocyanin and cytochrome f. Can cation-π interactions contribute to the stability of the complex? E. V. Pletneva, A. Laederach, Ν. Μ. Kostic

85. Kinetics of the reduction of chromium(VI) by thiomalic acid in mildly acidic aqueous solution. T. P. Dasgupta, D. C. Ramdon, D. A. Dixon

86. Mimicking the antenna electron transfer properties of photosynthesis in soluble polymer. M. Sykora, K. A. Maxwell, T. J. Meyer

87. Multielectron transfer of a decanuclear oxovanadium cluster and application to oxygen batteries. K. Oyaizu, E. L. Dewi, E. Tsuchida

88. Experimental probes of electron-transfer/ metal-to-ligand charge-transfer comparisons: Observations on ruthenium-polypyridyl systems. M. J. Uddin, D. S. Seneviratne, V. Swayambunathan, H. B. Schlegel, J. F. Endicott

89. Electron transfer from 7-deazaguanine to ruthenium polypyridyl complexes. I. V. Yang, H. H. Thorp

90. Probing electron transfer in mouse ribonucleotide reductase using a trisbipyridyl ruthenium(ll) linked peptide. B. S. Cooper-man, B. A. Pender

91. Effectiveness of electrostatically bound complexes for the study of intraprotein electron transfer. B. Durham, T. S. Jackson, F. Millett

92. Ru(bpy)32+-mediated electron transfer in

tetrads: Adjacent guanines are not hole traps in G quartets. V. Szalai, H. H. Thorp

93. Electron transfer through space or through bonds: A new model system that permits a direct comparison. T. Arimura, S. Ide, T. Nishioka, Y. Suga, H. Sugihara, S. Murata, T. Nagamura

94. Study on the effect of ligand structures on the spectral and electrochemical properties of new copper(ll) and nickel(ll) complexes. J. G. Gilbert, A. W. Addison, R. J. Butcher, E. Sinn

95. Photophysical properties of zinc complexes containing diimine quinone ligands. C. Turro, C. L. Dollberg

96. Thioether oxime Ni(ll) triangles: Effects of linking groups on magnetic and electronic properties. M. J. Prushan, A. W. Addison, V. V. Pavlishchuk, S. V. Kolotilov, G. M. Shalhoub, P. T. Downing, R. J. Butcher, L. K. Thompson

97. Synthesis, structure, and characterization of a doubly phenoxo-bridged dinuclear Ni(ll) complex: Magnetic exchange coupling dependence on the phenoxo-bridging angle. Y. Gultneh, Y. T. Tesema, T. B. Yisgedu, R. J. Butcher, L. K. Thompson


98. Characterization of cysteine-rich protein and yellow fraction from Lucina pectinata. R. G. Leon, J. L Colon

99. Oxidation chemistry of solganol: A gold-sulfur drug. A. A. Mohamed, A. E. Bruce, M. R. M. Bruce

100. New N/S(thiolate) ligands and their Zn(ll) and Ni(ll) complexes: Mimics for metallohydrolases. S. Chang, V. Karambelkar, R. diTargiani, D. Goldberg

101. Nitric oxide release from S-nitroso-/V-acetyl-DL-penicillamine by vitamin C. T. P. Dasgupta, D. V. Aquart

102. Second-coordination chelate effect in a lariat ether-ferrioxamine Β host-guest assembly. S. M. Trzaska, M. Kim, R. A. Bartsch, A. L Crumbliss

103. Simple lanthanide chelates as biological probes. J. A. Belot

104. Mn(lll) complexes of chelating pyridyl and phenoxy donor ligands: Synthesis, structural, and spectroscopic characterization and coordination variations. Y. Gultneh, Y. T. Tesema, T. B. Yisgedu, R. J. Butcher

105. Combined effect of chelate ring size and substituents on the redox behavior of Mn(ll) complexes of the tripodal ligands tris(2-pyridylalkyl)amines: Synthesis, structure, and redox properties. Y. Gultneh, T. B. Yisgedu, Y. T. Tesema, R. J. Butcher

106. Removal of metal ions from complexes by Schizosaccharomyces pombe. J. P. Whitehead, M. V. Mintz, J. R. Baboval, H. G. Frost

107. Effects of dietary fiber on the bioavailability of trace elements in the body. S. Qamar, Ζ. Τ. Maqsood

108. Synthesis and structural properties of a series of first-row transition-metal (M2+) terminal hydroxide complexes. C. E. Mac-Beth, V. G. Young Jr., A. S. Borovik

109. Tuning reactivity via ligand constraints: Toward functional models of Fe-type nitrile hydratase. H. L. Jackson, D. Schweitzer, D. Rittenberg, J. A. Kovacs

110. Model compounds of galactose oxidase. R. J. Butcher, G. M. Mockler, R. Kanitz, O. McKern, M. Sheil

111. Surprising reactivity of C-based diazeni-umdiolates: Conversion of a nitrile to an imidate and its decomposition to yield nitric oxide. E. V. Arnold, J. A. Hrabie, L. K. Keefer

112. Chemistry and insulin-like properties of cobalt 2,6-pyridinedicarboxylate complexes. L. Yang, D. C. Crans, S. M. Miller, Α. la Cour, O. P. A. Anderson, G. R. Willsky

113. Nuclear magnetic resonance of bisbipy-carbonatocobalt(lll) chloride: Evidence of a trans effect in the chemical shift. S. E. Schmidt, K. W. Jung

114. Optically active C3-symmetric transition-metal complexes utilizing the hydridotris-(methimazolyl)borate ligand. D. M. Tellers, R. G. Bergman

115. Step-scan FTIR time-resolved spectroscopy of a ruthenium-labeled 2'-deoxy-uridine. G. D. Smith, Y. Lu, M. W. Grin-staff, R. A. Palmer

116. Synthesis and reactivity of cationic tantalum complexes. S. M. Mullins, M. A. Aubart, J. Arnold, R. G. Bergman

117. Comparative study of the redox properties of bridged heteropolytungstates. J. F. Kirby, L. C. W. Baker

118. Accessing the higher oxidation states of nickel for the activation of oxygen. M. J. Goldcamp, D. T. Rosa, N. Landers, J. A. Krause-Bauer, M. J. Baldwin

119. Effect of exogenous metal ions on the inhibition of trypsin by diamidines. S. R. Kircus, Η. Η. Thorp

120. Mixed amide-oxime ligands derived from natural amino acids and their transition-metal complexes. D. T. Rosa, M. J. Goldcamp, S. Mandel, J. A. Krause-Bauer, M. J. Baldwin

121. New binucleating ligands with (1,3,4)-oxadiazole as a bridging unit: Design and synthesis of their bimetallic complexes. A. L. Gavrilova, C. J. Qin, B. Bosnich

122. Study of heterobinuclear metal complexes: Synthesis and characterization of CO compounds. R. M. Kretzer, R. A. Ghiladi, E. L. Lebeau, K. D. Karlin

123. Supramolecular assemblies in the crystals of 1,1,2,3,4,5-hexahydro-1,1-diiodo-tellurophene, 1,1,2,3,4,5,6-heptahydro-1,1-diiodotellurane, and 1,3-dihydro-2X4-benzotellurole-2,2-diyl diiodide induced by secondary bonds. R. J. Butcher, P. C. Srivastava, S. Bajpai, R. Lath

124. Synthesis and characterization of phenoxo-bridged dinuclear copper complexes of pyridyl Ν and phenoxo oxygen donor complexes. G. Yilma, Τ. Β. Yis-gedu, Y. B. Tesema, R. J. Butcher

125. Synthesis, structure, and characterization of doubly phenoxo-bridged dinuclear Zn(ll) complexes. Y. Gultneh, Y. T. Tesema, T. B. Yisgedu, R. J. Butcher

126. Transition-metal complexes of new me-socyclic ligands. T. N. Sorrell, J. B. Lucks

127. Ferrocene phosphoramidites for oligonucleotide synthesis. A. E. Beilstein, M. W. Grinstaff

128. DNA binding studies of ruthenium(ll) complexes. Y-S. Liu, H-Q. Liu, C-M. Che

129. Heterodinuclear metal polypyridyl mediators in the electrochemical detection of DNA oxidation. R. C. Holmberg, Η. Η. Thorp

130. Interaction of ruthenium-platinum bimetallic complexes with DNA. M. Milkevitch, B. S. J. Winkel, K. J. Brewer

131. Solid-phase synthesis and photophysi-cal properties of DNA labeled at the nucle-obase with a ruthenium(ll) tris-diimine complex. S. I. Khan, A. E. Beilstein, M. T. Tierney. M. Sykora, M. W. Grinstaff

132. Pb2 + coordination by lipophil ic G-quartets. F. W. Kotch, J. T. Davis

133. Photorepair of thymine dimers by Ru(ll) complexes. L. A. Lazinski-Melanson, C. Turro

134. RNA and phosphate diester cleavage by dinuclear and mononuclear Zn(ll) complexes. O. Iranzo, K. P. McCue, T. L. Elmer, J. R. Morrow

MONDAY MORNING


* Aspects of Biological Electron Transfer Cosponsored with Division of Physical Chemistry M. J. Therien, Presiding 8:30—135. Mimicry of biological energy

transduction using artificial photosynthetic membranes. D. Gust, K. Jardine, H. Vanegas, A. L. Moore, T. A. Moore

9:00—136. Solvent-mediated electronic coupling: Impact of solvent energy levels and dynamics. M. B. Zimmt, D. H. Waldeck

9:30—137. Using electric field effects to interrogate charge-transfer processes. J. T. Hupp

10:00—138. Probing the role of highly non-equilibrium macromolecular conformations in electron transfer. G. C. Walker, Β. Β. Akhremitchev, A. Tivanskii, R. Leecharoen

10:30—Intermission. 10:45—139. Excited-state relaxation dynam

ics of the class III mixed-valence system [Ru2TIEDC|4]+. K. G. Spears, T. W. Marin, B. J. Homoelle, J. T. Hupp, L. O. Spreer

11:15—140. Photoinduced electron transfer in metal-organic systems. K. S. Schanze

11:45—141. Applications of photoinduced fragmentation reactions. I. R. Gould, S. Farid, J. L. Lenhard, A. Muenter, S. Godleski

A Catalysis




Sciences



• Density Functional Theory in Inorganic Chemistry Physical Methods and Applications

O. Eisenstein, Presiding 8:15—Introductory Remarks. 8:20—142. DFT: New methodologies, func-

tionals, and interpretative tools. A. D. Becke

8:50—143. Analysis of the chemical bond of transition-metal compounds. G. Frenking

9:20—144. Kohn-Sham molecular orbital theory: Toward a quantitative MO theory for chemistry. E. J. Baerends

9:50—145. Applications of density functional theory to the study of inorganic compounds. D. A. Dixon

10:20—Intermission. 10:35—146. DFT for transition-metal sys

tems: The ecstasy and the agony (continued). D. R. Salahub

11:05—147. Electronic structure effects on the photophysics and photochemistry of transition-metal complexes: Insights from density functional theory. J. K. McCusker

11:35—148. Modeling photophysical and magnetic properties of coordination compounds. C. A. Daul


* Metals in Medicine/DNA and RNA M. Zimmer, Organizer A. E. Tapper, Presiding 8:30—149. Cytochrome b562 variants: A li

brary for examining redox potential evolution. G. L. McLendon, S. E. Bass, S. L Springs

8:50—150. Iron-mediated oxidative damage of amyloid fragments in Alzheimer's disease. A. E. Tapper, P. Stavropoulos

9:10—151. Characterization and applications of a nitric oxide-sensitive Co(ll)-imprinted polymer. K. M. Padden, J. F. Krebs, R. Scarrow, A. S. Borovik

9:30—152. Kinetics and mechanism of the reductive decomposition of nitroprusside by L-ascorbic acid to produce nitric oxide. T. P. Dasgupta, J. N. Smith

9:50—153. Radiopharmaceuticals: A su-pramolecular approach. K. J. C. van Bommel, G. A. Metselaar, M. R. de Jong, W. Verboom, J. Huskens, D. N. Reinhoudt

10:10—154. Transition-metal activation and inhibition of enediyne cyclization reactions. J. M. Zaleski, P. J. Bénites, N. L. Coalter, D. S. Rawat

10:30—155. Solution photochemistry and DNA photocleavage by dirhodium(ll) and diplatinum(ll) complexes. C. Turro, P. M. Bradley, M. Sivko, P. K-L. Fu

10:50—156. Transcription inhibition by bis-diimine quinone complexes of Rh(lll) and Ru(ll). P. K-L. Fu, P. M. Bradley, C. Turro

11:10—157. Oxidative cleavage of DNA substrates mediated by copper pyridyl(alkyl)-amine complexes. K. J. Humphreys, A. E. Johnson, S. E. Rokita, K. D. Karlin

11:30—158. Mixed-metal supramolecular complexes as photochemical molecular devices and DNA binding agents. K. J. Brewer, E. R. Bullock, R. L Williams, Z. Fang, L. Jackson, L. Dove

11:50—159. Hydrolytic cleavage of RNA by strong Lewis acids. J. R. Morrow, C. Wang, S. Choudhary

12:10—160. Metal dependency in RNA catalysis by the group I azoarcus bacterial ri-bozyme. L. Y. Kuo, J. A. Piccirilli, Ν. Μ. Perera

12:30—161. Long-distance electron transfer in an oligodeoxynucleotide duplex: Observation of the electron-transfer product. M. W. Grinstaff


Reactions of Radicals with Metal Complexes C. G. Riordan, J. M. Mayer, Organizers C. G. Riordan, Presiding 8:30—Introductory Remarks. 8:40—162. Character and reactivity of iron-

based oxidants in enzyme-catalyzed hy-droxylations. M. Newcomb

9:20—163. Anaerobic ribonucleotide reductase: How a combination of an iron-sulfur cluster and S-adenosylmethionine generates protein radicals. M. Fontecave

10:00—164. Reduction of organocobalt complexes and disulfides with low-valent metal complexes and clusters. C. G. Riordan, M. S. Ram, J. Yamarik

10:40—165. Thermodynamic and kinetic studies of reactions of low-valent transition-metal radicals. C. D. Hoff, K. B. Capps, A. Bauer, K. Sukcharoenphon

11:20—166. Oxidations of metal complexes by organic radicals via hydrogen atom transfer from metal-bound ligands. J. M. Mayer, J. P. Roth, G. L. Rice, T-J. Won, J. R. Bryant, M. Meeuwsen

Section Ε Convention Center Exhibit Hall Β

Poster Session

Catalysis, Environmental, Organometallic, and General M. Zimmer, Organizer, Presiding 9:00-11:00 167. New chiral catalysts based on C2-

symmetric phenanthrolines. M. E. Wright, D. A. Schorzman

168. Synthesis and characterization of chiral, bissulfonamide-based titanium(IV) complexes. P. J. Walsh, G. J . Gama, J. Balsells

169. Enantioselective cyanation by modified salen metal complexes. M. Lebron, X. R. Bu

170. Sonochemical promoted MoS2/y-AI203 HDS catalysts: Synthesis, characterization, and hydrodesulfurization activity. A. Ekhtiarzadeh, N. A. Dhas, K. S. Suslick

171. Codimerization in a pressure membrane reactor: Use of dendritic ligands for catalyst immobilization. E. B. Eggeling, N. J. Hovestad, J. T. B. H. Jastrzebski, G. van Koten, D. Vogt

172. Perfluoroaryl substituent effects in metallocene-catalyzed olefin polymerization. P. A. Deck, A. D. Warren, M. P. Thornberry

173. Synthesis and structural characterization of dinuclear group IV catalyst precursors using a methylene-bridged Cp-alkoxide ligand. K. Kunz, G. Erker, R. Frôhlich

174. Silica-supported metallocene olefin polymerization catalysts. P. A. Deck, X. Cheng, O. W. Lofthus

175. OSC measurement of Pt/ceria catalyst in millisecond time range. Y. Sakamoto, Y. Kizaki, T. Motohiro, K. Yokota, H. So-bukawa, H. Tanaka, U. Mari, M. Sugiura

176. Novel rhodium(l) catalysts for ecologically benign homogeneous catalysis in supercritical carbon dioxide. M. A. Omary, Z. K. Lopez, B. Lin, J. P. Fackler, A. Akger-man

177. Efficient catalysts for the Heck reaction: Palladium(ll) complexes with P-N ligands. S-T. Liu, K. R. Reddy

178. Alkali-stable hexaniobate complexes of Mn(l) and Re(l): Toward separation and immobilization of technetium in nuclear wastes. A. V. Besserguenev, M. H. Dick-man, M. T. Pope


179. Luminescence properties of Ag(l)-exchanged zeolite A and the photoassist-ed degradation of malathion, carbofuran, and carbaryl. H. H. Patterson, S. M. Kan-an, M. C. Kanan

180. Synthesis and kinetic stability of Ga(lll) and Cu(ll) 18-membered hexaazamacro-cyclic complexes: 67Ga(PYAN) and 67Cu-(PYAN). L. H. Bryant Jr., E. Dadachova, M. W. Brechbiel, J. A. Frank

181. Laser flash photolysis of H202 in aqueous solutions containing chloride ions. X-Y. Yu, J. R. Barker

182. Photoactive rhodium(l) dimers with bridging isocyanide and phosphine ligands. K. D. Lambert, J. K. Bauer, W. B. Connick

183. t[[(bpy)2Ru(dpp)]2RhCI2t](PF6)5: A device for photoinitiated electron collection. K. J. Brewer, E. R. Bullock

184. Synthesis and characterization of [(NH3)3Ru(dpop')](PF6)2 and [(tpy)Ru-(dpop /)](PF6)2 complexes (dpop' = dipyrido(2,3-a:3',2'-j)phenazine: Effects of the peripheral ligands NH3 and tpy on electronic absorption, emission, and electrochemical properties. R. R. Ruminski, E. Lingle, K. Larancuent

185. Constrained geometry of Yb(ll) and Ti(IV) complexes. V. V. Izmer, A. Z. Vos-koboynikov, A. N. Parfenov

186. Properties of the dihydrogen complexes of osmium amine. S. H. Park

187. Tp'PtH3: A stable platinum(IV) trihy-dride. S. Reinartz, P. S. White, M. Brookhart, J. L. Templeton

188. Reduction of perchlorate ion by a dinuclear Ti(lll) species in aqueous ethanol. D. C. Tofan, J. E. Earley

189. Continuing studies on Re2CI2(FORM)4

complexes. L. T. Smith, J. L. Eglin, T. M. Barclay

190. Experimental and theoretical approaches to the reactivity of organic and inorganic nitriles ((RO)3M=N) with the "ethanelike" dimers M2(OR)6, where M = Cr, Mo, W and R = l Bu, 'Pr, CH2

l Bu, and C(CF3)xMe(3_X). A. R. Kidwell, M. H. Chisholm, E. R. Davidson

191. Preparation and characterization of a series of trinuclear ruthenium carboxyl-ates. L. E. Pence, C. C. Pink, E. M. Pelc-zar, N. M. Broyles, J. P. Whitehead

192. Stabilization of low-valent Cp complexes using pentafluorophenyl substituent effects. P. A. Deck, M. P. Thornberry, E. J. Hawrelak

193. Influence of silica sol-gel environment on reactivity of substituted iron(ll) tris-phenanthroline complexes. S. P. Watton, K. Killingsworth, C. M. Taylor

194. Probes of the interactions between transition-metal complexes and silica supports. S. P. Watton, C. M. Taylor, G. M. Kloster

195. Reaction of (butadiene)zirconocene with ketimines and aldimines. C. Hôltke, G. Erker, R. Frôhlich

196. Ruthenium donor-acceptor complexes with a paracyclophane bridging ligand. P. J. Ball, T. Rarog, W. B. Connick

197. Synthesis, crystal structures, and properties of metal complexes of new bis-benzimidazole ligands. R. M. Buchanan, M. S. Mashuta, P. D. Bauer, B. Tong, L Cheruzel, R. J. O'Brien

198. Trirutile-type solid oxide. S. Choi Jr. 199. Vibrational spectra and structure of

homo- and heterometallic zinc complexes with cyclic ligands. Y. Zheng

200. Investigation of dinitrogen cleavage and nitride coupling in mixed-metal systems. S. B. Seymore, S. N. Brown

201. Building block principle in polyoxometal-late synthesis: Exchange and transfer of lacunary anion subunits. N. Belai, K. C. Kim, K. Wassermann, M. H. Dickman, M. T. Pope

202. Chemistry of dicarboxylatodirhodium derivatives of polyoxotungstates: Routes to functionalization of polyoxometallates. N. N. Sveshnikov, M. H. Dickman, M. T. Pope

JULY 24, 2000 C&EN 9 7


203. Electronic structures and emissive properties of platinum(ll) diimine dithiolate complexes. W. L Fleeman, N. A. Eckert, J. L. Ellis, W. B. Connick

204. Evidence for a low-lying triplet excited state in octachlorodirhenate(lll): Breaking bonds in high magnetic fields. A. W. Maverick, L. G. Butler, J. F. DiTusa, J. L. Eg-lin, C. H. Gallegos, J. D. Goettee, B. R. Marshall, C. M.- Fowler, D. G. Rickel, J. M. Gonzales, L. J. Tabaka

205. Nitrogen atom transfer from NW(NMe2)3. J. R. Brock, C. C. Cummins

206. Synthet c routes toward s-bonded orga-nometallic calcium, strontium, and barium compounds. J . S. Alexander, K. Ruhlandt-Senge, U. Englich

207. Olefin vs. imine metathesis: Intramolecular competition. T. Y. Meyer, O. Bada-wood

208. Kinetically inert proton on a metal-metal bond that promotes reactions with nucleo-philes. M. V. Ovchinnikov, I. A. Guzei, R. J. Angelici

209. Lewis base exchange reactions of a monomeric aluminum aryloxide. L. van Poppel, A. R. Barron

210. Facile X-C(sp2) bond cleavage (X = H, R, OR, NR2) by π-acid abstraction from aldehydes, esters, amides, amines, and imi-nes. J. N. Coalter III, J. C. Huffman, K. G. Caulton

211. Group II metal β-diketonate complexes with polyamine adducts: Synthesis and structural characterization of [M(thd)2(L)]n (M = Ba, Sr; L = polyamine; η = 1 - 2) complexes. S. Koo, J. Park, J. Kim

212. Disproportional rearrangements of [Ti(/V-alkoxy-p-ketoiminate)(0'Pr)2]2 and [Ti.(/V-alkoxy-p-ketoiminate)(p-diketonate) (O'Pr)]. I-M. Lee, S. Lim, S. Seo

213. Chemical behavior of the Lewis acid di-cation [W2Cp2(CO)4(M-dppm)]2+. M. A. Alvarez, M. E. Garcia, V. Riera, M. A. Ruiz

214. Alkyl-fluoroalkyl complexes of platinum. R. P. Hughes, J. T. Sweetser, M. D. Tawa, A. Williamson

215. C-C and C-H bond activation by a highly constrained chelating bisphosphine platinum intermediate. W. D. Jones, C. N. Iverson, B. L. Edelbach

216. Fluoroalkyl complexes of platinum with diphosphine ligands. R. P. Hughes, J. T. Sweetser, A. Williamson

217. Amido complexes of the later transition metals. E. Kogut, Τ. Η. Warren

218. Electrochemical reduction of diphenyl fulvene chromium tricarbonyl and (η6-7,8-diphenylbicicyclo[4.2.1 ]nona-2,4,7-triene) chromium tricarbonyl complexes. A. Garg, W. E. Geiger, J. B. Sheridan, D. Nemer

219. Reactivity of Re2(^-02CCH3)CI4(^-dppm)2 with dicarboxylic acids. J. K. Bera, P. E. Fanwick, R. A. Walton

220. Synthetic, structural, and chemical studies of the first 10-vertex-arachno-phos-phadicarbaboranes. L. G. Sneddon, D. Hong, S. E. Rathmill, D. E. Kadlecek

221. Nature of nonequivalence of the α hydrogens of the complex [CpRu(PPh3) (pms)2]OTf: Diastereotopic hydrogens or axial-equitorial exchange? P. M. Nave, M. Draganjac, M. J. Panigot, R. W. Curley Jr., C. Cottrell

222. Tris(pyrazolyl)borate complexes of osmium. P. W. Dickinson, G. S. Girolami

223. Synthesis of boron-substituted indenyl rhodium complexes. A. T. Morehead Jr., J. V. McCullagh

224. Synthesis of manganese(l) and rheni-um(l) thioformato complexes, fec-(CO)3(P-P)MSC(S)H. T. Frazier, K. Johnson, D. Orsa, J. Sturgis, S. K. Mandai

225. Homogeneous olefin polymerization with β-diketiminato complexes of vanadium. C. Puttnual, K. H. Theopold, A. L. Rheingold

226. Hydrogenolysis of aliphatic carbon-fluorine bonds in cobalt and rhodium fluoroalkyl complexes. R. P. Hughes, A. A. Bickley, D. Zhang

227. Hydrogenolysis of aliphatic carbon-fluorine bonds in iridium complexes. R. P. Hughes, I. Kovacik, J. L. Smith, J. M. Smith

228. Reactions that involve formation and cleavage of iridium-boron bonds. J-Y. Cho, M. R. Smith III

229. Fluoroalkyl complexes of iridium and rhodium with tridentate ligands. R. P. Hughes, A. A. Bowden, J. M. Campbell

230. Incorporation of multiply bonded dirheni-um complexes into mixed-metal assemblies. S-M. Kuang, P. E. Fanwick, R. A. Walton !

231. Two-point cooperative binding of car-bonyl compounds by a metal and by a neighboring pendant NH group. D-H. Lee, K. Gruet, R. H. Crabtree

232. Reactions of Tp'W(0)(l)(CO) with hydride donors and organolithium reagents. J. L. Cross, J. L. Templeton

233. Intramolecular oxidative addition of the carbon-halogen bond in Rh(l) Vaska o-halobenzoates. H. T. Huynh, N. W. Hoffman, J. R. Ream, S. A. Miller, C. B. Morris, A. Wierzbicki, T. R. Cundari

234. Mechanochemical synthesis of organo-metallic compounds. D. Orsa, D. M. Ho, L Takacs, S. K. Mandai

235. Synthesis and reactivity of a series of novel four-coordinate ruthenium alkyli-denes. M. S. Sanford, L. M. Henling, M. W. Day, R. H. Grubbs

236. Chemistry of dihydrogen complexes of ruthenium bearing only phosphorus containing coligands. B. R. Jagirdar, N. Mathew

237. Ruthenium(ll) complexes with remarkably long lifetimes. D. S. Tyson, F. N. Castellano

238. Synthesis and characterization of a ruthenium-thioxane complex. M. Draganjac, A. Throgmartin, S. Sproles

239. Unique coordination modes and reactivities of 1-aza-1,3-butadiene bound to half-metallocene-tantalum fragment. Y. Mat-suo, K. Mashima, K. Tani

240. Synthesis and aqueous chemistry of a water-soluble molybdenocene monohy-dride. L. Y. Kuo, T. J. R. Weakley

241. Synthesis and structure of tridentate Cp-N-P rhenium complex. T-F. Wang, Y-S. Wen, K-L. Chen

242. Novel ferrocenyl substituted diazabuta-dienes. T. A. Nile, J. L. Walsh, Κ. Η. Williams, J. J. Holhouser

243. Metallatricarbaborane analog of the cy-clopentadienyl ring-slippage process. L G. Sneddon, B. M. Ramachandran, P. J. Carroll

244. Half-sandwich hydride and 16-electron complexes of rhodium and iridium bearing N-substituted diamine as auxiliary ligands: Relevant to the asymmetric transfer hydrogénation. Κ. Mashima, T. Abe, K. Tani

245. Synthesis and reactivity of novel group 4 cyclopentadienyl amidinate imido compounds. A. E. Guiducci, M. E. G. Skinner, L. H. Rees, P. Mountford

MONDAY AFTERNOON


Aspects of Biological Electron Transfer Cosponsored with Division of Physical Chemistry G. L. McLendon, Presiding 1:45—246. Lanthanide(lll) ions as probes of

long-range electron transfer in proteins: Pathways theory vs. exponential distance dependence of electron-transfer rates. W. D. Horrocks Jr., R. M. Supkowski, W. D. Smith, J. P. Bolender, J. D. Potter, Q. Li, G. B. Phillips Jr.

2:15—247. Protein motifs that facilitate electron-transfer reactions. M. R. Gunner, E. G. Alexov

2:45—248. Synthetic electron-transfer metal-loproteins. Μ. Υ. Ogawa

3:15—249. Reaction of human myoglobin and hydrogen peroxide: Involvement of a thiyl radical produced at C110. P. K. Witting, D. J. Douglas, A. G. Mauk

3:45—Intermission. 4:00—250. Electron tunneling through water

and proteins. J. R. Winkler, A. Ponce, A. J. Di Bilio, Η. Β. Gray

4:30—251. Use of photoactivated ruthenium complexes to measure electron transfer in cytochrome bc^ and cytochrome oxidase. F. Millett, B. Durham, R. Sadoski, G. Eng-strom, H. Tian, L. Zhang, C-A. Yu, L. Yu, L. Geren, K. Wang, S. Ferguson-Miller, Y. Zhen

5:00—252. Electron transfer in the methyl-amine dehydrogenase-amicyanin-cyto-chrome c551 i protein complex. V. L. Davidson


Density Functional Theory in Inorganic Chemistry Organometallics, Metal-Metal Bonding

Μ. Β. Hall, Presiding 1:30—253. Role of "organo" in organometal-

lic reactions. E. R. Davidson 2:00—254. On the structure of Rh(allyl)3 and

lr(allyl)3. R. L Martin, K. D. John, R. T. Baker, A. P. Sattelberger, J. C. Green

2:30—255. Structure-activity relations in met-allocene chemistry: A theoretical investigation of ansa effects. J. C. Green, C. N. Jardine

3:00—256. Metal hydrides and olefins: A story with many facets. O. Eisenstein, H. Gérard, E. Clot

3:30—Intermission. 3:45—257. Density functional and ONIOM

studies of organometallic reactions and homogeneous catalysis. K. Morokuma, D. G. Musaev, D. V. Khoroshun, T. Vreven, Z. Liu, M. Torrent, H. Basch, B. F. Yates, S. Mori

4:15—258. Mechanism of Ni(0) cyclodimer-ization of butadiene. T. A. Albright

4:45—259. Probing periodic trends in metal-metal bonding using density functional theory. R. Stranger, J. E. McGrady, T. Lovell


Reactions of Radicals with Metal Complexes

S. Bohle, Presiding

2:00—260. Radical intermediates in alkane hydroxylation catalyzed by metalloporphy-rins. J. T. Groves

2:40—261. Oxygenation of nitrosylated heme proteins. S. Bohle, E. A. V. Arnold, C. M. Carter, P. A. Jordan

3:20—262. Cyclopentadienyl metal complexes as photonucleases: Mechanistic and DNA cleavage studies. D. L. Mohler

4:00—263. Radical approach to a carbon skeleton walk: Catalysis by B12-dependent methylmalonyl-CoA mutase. R. Banerjee


Catalysis S. P. Watton, Presiding 1:30—264. Synthesis of Schiff base ligated

metal complexes and their reactivity as polymerization catalysts for lactide, PO, and PO+C02. M. H. Chisholm, J. Hoffman, H. Zhen, M. Dexheimer, W. Hintz, P. C. Kierkus

1:50—265. Alternating and random copoly-merization of CO and aziridines. L. Jia, E. Ding, J. E. Roberts, W. R. Anderson

2:10—266. Homogenous catalytic oxidation of substituted phenols in supercritical C02 and C02-expanded organic solvents. G. T. Musie, D. H. Busch, M. Wei, B. Subrama-niam

2:30—267. Catalytic Shilov chemistry: Platinum(ll)-catalyzed oxidation of terminal methyl groups by dioxygen. C. Shen, M. Lin, E. A. Garcia-Zayas, A. Sen

2:50—268. Reaction of metal oxos with dihydrogen: Mechanistic implications for hydrocarbon oxidations. J. P. Collman, L. M. Slaughter

3:10—269. Manipulating peroxide reactivity in silica-supported copper phenanthroline complexes by control of site isolation. S. P. Watton, S. C. Bowman


3:30—270. Homogeneous catalysts tethered to silica: A general approach toward sustainable continuous processes. A. J. Sandee, J. N. H. Reek, P. C. J. Kamer, P. W. Ν. Μ. van Leeuwen

3:50—271. Catalytic hydrosilylation of phenyl-acetylene with RuCI2(PPh3)3: Substrate concentration effects and mechanistic studies. N. M. Yardy, F. R. Lemke

4:10—272. Dynamic kinetic resolution of metallocenes: Self-assembly of bimetallic ansa-metallocenes. T. K. Hollis, L-S. Wang

4:30—273. New tantalum catalyst for the selective trimerization of ethene. C. Andes, S. B. Harkins, K. Oyler, S. Murtuza, A. Sen

4:50—274. Catalytic dehydrogenation of amines and alcohols by a dihydrido iridium PCP pincer complex. D. Morales-Morales, R. Redon, W. Chen, C. Yung, C. M. Jensen

5:10—275. Reaction of group 13 chlorides with mercury dichloride. A. S. Borovik, S. G. Bott, A. R. Barron


Sci-Mix M. Zimmer, Organizer 8:00-10:00 276. Electron transfer in a dinuclear Fe-

DTPA-Co complex. S. A. Kazmi, D. Waqar, M. R. Saeed

130,100, 99. See previous listings. 277. Oxidation of meso-substituted iron por

phyrins. H. R. Kalish, A. L. Balch, L. Latos-Grazynski

278. Radical-initiated olefin epoxidation catalyzed by ruthenium porphyrins. C. Wang, J. T. Groves

279. Ru(bpy)32+-catalyzed guanine oxidation

in peptide nucleic acids. S. J. Codden, H. H. Thorp

67. See previous listing. 373. See subsequent listing. 112,117,124,108. See previous listings. 407, 365, 348. See subsequent listings. 280. Extraction of Cd2+, Pb2+, and Zn2+

Schiff-base metal complexes and their selection from a dynamic combinatorial library. S. Choudhary, D. Epstein, J. R. Morrow

361, 354, 401, 385. See subsequent listings. 281. Control of copper-peroxide reactions by

engineered site isolation. S. P. Watton, S. C. Bowman

282. Effect of chiral cavities associated with molecularly imprinted platinum centers on the selectivity of ligand exchange reactions at platinum. N. M. Brunkan, M. R. Gagné

283. Electrochemical and photochemical responses of Re(l)(bpy)(CO)3(L) complexes containing crown ether ligands (L) toward group 1A and group IIA cations. D. P. Ril-lema, W. J. Perez

284. Isomerization of p-substituted pyridine complexes of Pt. G. M. Arvanitis, D. Johnson, S. Bogaczyk

285. Photochemistry and photophysics of dirhodium tetracarboxylate complexes. P. M. Bradley, C. Turro, B. E. Bursten

286. Aqueous organometallic reactions of rhodium and cobalt porphyrins. L. Basick-es, B. B. Wayland

TUESDAY MORNING


* Aspects of Biological Electron Transfer Cosponsored with Division of Physical Chemistry

K. S. Schanze, Presiding

8:30—287. Charge-transfer mechanisms in differing length scales: Molecules, wires, and DNA. M. A. Ratner

9:00—288. Ultrafast electron transfer in cofa-cially aligned, π-stacked aromatic systems. P. M. lovine, J. X. Chen, Y. Kang, N. P, Redmore, M. A. Kellett, M. J. Therien

9:30—289. Effects of bridge dynamics on electron transfer in donor-bridge-acceptor molecules: From photosynthesis to molecular wires. M. R. Wasielewski, W. B. Davis, S. E. Miller, M. A. Ratner


9 8 JULY 24, 2000 C&EN

10:15—290. Charge transport through the DNA base pair stack. J. K. Barton

10:45—291. Dynamics of electron transfer in synthetic DNA hairpins. F. D. Lewis, M. R. Wasielewski

11:15—292. Role of geometry and energetics of the hydrogen-bonded adenine-thymine and guanine-cytosine on electron transport in Β DNA. E. C. M. Chen, E. S. Chen

11:45—293. Electron-transfer mechanisms through DNA: A new approach toward molecular biosensors. T. J. Meade


• Density Functional Theory in Inorganic Chemistry Bioinorganic, Coordination Chemistry

N. Kaltsoyannis, Presiding 8:30—294. Electronic structure contributions

to function in bioinorganic chemistry: Electron transfer by copper sites. E. I. Solomon

9:00—295. Theoretical characterization of the reaction intermediates in models for nickel-iron and iron-only hydrogenases. M. B. Hall, S. Niu, L. Thomson, Z. Cao, S. Li

9:30—296. DFT modeling of metalloprotein active site chemistry. R. A. Friesner

10:00—Intermission. 10:15—297. Density functional theory calcu

lations on molecules with non-aufbau behavior: Vanadyl octaethylporphyrinate and vanadyl phthalocyanine. D. L. Lichten-berger, N. E. Gruhn, L. J. Michelsen, B. L. Westcott

10:45—298. Density functional theory and the geometry of inorganic fluorides. R. Gillespie, G. L. Heard, S. Noury

11:15—299. DFT/ECP study of NO scission by M(OR)3 (M = V, Nb, Ta). T. R. Cundari, S. A. Decker, P. Wolczanski, A. Veige, N. Matsunaga


Molecular Crystallography in the Service of Inorganic and Organometallic Chemistry T. Bitterwolf, Organizer 8:30—300. "Desperately need crystals to

keep the diffractometers fed." A. L. Rhein-gold, e-mail Nov. 27, 1995. R. L Wells

8:50—301. Organometallic and coordination chemistry with 'S3 ' and 'S2N' borato li-gands. C. G. Riordan, P. Schebler, S-J. Chiou

9:10—302. Tris(pyrazolyl)methane and tris(pyrazolyl)borate complexes of Cd(ll), Pb(ll), Na(l), and Sr(ll): Structural consequences of the lone pair on Pb(ll) and the bonding differences of the two types of li-gands. D. L. Reger, J. E. Collins, C. A. Little, S. S. Mason

9:30—303. ^ -Coo rd i na t i on of f ive-membered nitrogen heterocyclic ligands: Synthesis, structure, and molecular orbital studies. C. H. Winter, J. R. Perera, J. M. Wittbrodt, M. J. Heeg, H. B. Schlegel

9:50—304. New metal-accelerated Bergman cyclization reaction. J. M. O'Connor, L. I. Lee, A. L. Rheingold

• Catalysis



• Environmental


Sciences


10:10—305. Functionalized polyoxometa-lates via metathetical exchange of oxo ligands. E. A. Maatta

10:30—306. Metallaboranes: A pasticcio. T. P. Fehlner

10:50—307. Photochemical reactions of cy-clopentadienyl metal carbonyl dimers with hydrogen: Evidence for a CO-loss intermediate in the formation of metal hydrides. T. Bitterwolf, J. E. Shade

11:10—308. Transition-metal fluoroalkyl complexes and the hydrogenolysis of carbon-fluorine bonds to give hydrofluoro-carbons. R. P. Hughes

11:30—309. Tridentate but not always tri-podal: Coordination chemistry of MeSi(CH2SR)3. D. Rabinovich


Reactions of Radicals with Metal Complexes J. Mayer, Presiding 8:30—310. Hydrogen transfer in reaction of

cobalt chelates with free radicals. A. Grdinev

9:10—311. Organic radical reactions with co-balt(ll) metalloradicals. Β. Β. Wayland

9:50—312. Transition-metal-catalyzed living radical polymerization: Reversible generation of radicals and their control. M. Sawamoto, M. Kamigaito

10:30—313. Kinetic studies of catalytic chain-transfer polymerization of methyl methacrylate. J. R. Norton, G. P. Abramo

11:10—314. Reactions of allylpalladium(ll) complexes with free radicals. M. C. Baird, S. J. Reid

Η Materials Discovery cosponsored with Division of Computers in Chemistry (see page 81)

TUESDAY AFTERNOON


• Density Functional Theory in Inorganic Chemistry Catalysis, f-Elements

J. K. McCusker, Presiding 1:30—315. Investigations of heterogeneous

and homogeneous transition-metal catalysis using density functional theory. W. A. Goddard III, R. Muller, J. Kua, F. Faglioni, D. Philipp, M. Feldmann, D. Chakraborty, Y-H. Jang, X. Xu, M. Blanco, Y. Tang

2:00—316. DFT and FON-DFT calculations of transition-metal compounds and nitrogen atom clusters. W. H. E. Schwarz, S. G. Wang, P. Scheurer

2:30—317. Study on lanthanide compounds by means of density functional theory. L-M. Li

3:00—318. Beating the heavy-metal blues with DFT. T. Ziegler

3:30—Intermission. 3:45—319. Relativistic density functional cal

culations on actinide complexes: A historical perspective. Β. Ε. Bursten

4:15—320. Analogs of the uranyl ion containing the -N=U=N- group. N. Kaltsoyannis

4:45—321. Relativistic DFT studies of the reaction products of An + CO and An + C0 2 (An = Th, U). J. Li, B. E. Bursten, M. Zhou, L. Andrews


Molecular Crystallography in the Service of Inorganic and Organometallic Chemistry T. Bitterwolf, Organizer 1:30—322. Bimetallic cooperativity. B.

Bosnich 1:50—323. Dihydrogen bonding: Structural

aspects. R. H. Crabtree 2:10—324. Electron-transfer reactions of

bis(oxazoline) complexes of palladium. B. T. Donovan-Merkert, D. Belk, C. Henry, J. Lang, H. Reed, A. L. Rheingold, C. In-carvito

2:30—325. Heterobimetallic catalysts for the electrooxidation of methanol. L. McElwee-White, Μ. Ε. Tess, Κ. Ε. Torraca

2:50—326. Properties of inorganic complexes from charge-density-derived methods: Joining theory and crystallography. F. P. Arnold Jr.

3:10—327. Structural surprises in paramagnetic organometallic chemistry. Κ. Η. Theopold

3:30—328. Tris(2-mercapto-1 -arylimidazolyl)-hydroborato complexes of zinc and lead: Relevance to lead poisoning and the inac-tivation of 5-aminolevulinate dehydratase. G. Parkin, B. Bridgewater, C. Kimblin, T. Fillebeen

3:50—329. X-ray structural characterization of platinum acetylide heterocyclyne squares. W. J. Youngs, S. M. Al-Qaisi, C. A. Quezada, K. J. Galat, L. M. Liable-Sands, K-C. Lam, T. Concolino, C. A. Tessier, A. L. Rheingold

4:10—330. Heterocumulene metathesis and metal amidinates for Ziegler-Natta polymerizations. L. R. Sita, K. C. Jayaratne


Reactions of Radicals with Metal Complexes A. Bakac, Presiding 1:30—331. Application of 17-electron organo-

molybdenum compounds to polymerization catalysis. E. Le Grognec, R. Poli, P. Richard, J. Claverie

2:10—332. Reactions of carbon- and oxygen-centered radicals with transition-metal complexes in aqueous solution. A. Bakac

2:50—333. DFT study of hydrogen abstraction reactions. T. Strassner

3:30—334. Function of metals and halides to control activity and selectivity in automation reactions. W. Partenheimer

4:10—335. Absolute rate expressions for reaction of benzyl radical with transition-metal hydrides. J. A. Franz, D. S. Kol-waite, J. C. Linehan, K. I. Goldberg, J. L. Look

H Materials Discovery cosponsored with Division of Computers in Chemistry (see page 82)


Poster Session

Inorganic Materials, Solid State, Main Group, General M. Zimmer, Organizer, Presiding 7:00-9:00 336. Sonochemical preparation of a nano-

structured bifunctional catalyst: Mo2C/ ZSM-5. G. Dantsin, K. S. Suslick

337. Trehalose stabilization of immobilized proteins in α-zirconium phosphate. R. A. Bermudez, C. I. Maldonado, G. A. Tejada, J. L. Colon

338. Co3(SbTe3)2 nanoparticles in a alm-cm41 host. J-S. Jung, Y-R. Kim, S. H. Lee, J. Wiley, C. J. O'Connor

339. Spherical nanoporous materials with multiple pore sizes. C. C. Landry, K. W. Gallis

340. Preparation of nanosize metal oxides using novel single precursors. C. G. Kim, K. Sung, J. T. Lim, Y. Kim

341. Magnetic properties of the nanoparticles of mixed Zn-Ni ferrite. J. H. Zhang, J. Wie-mann

342. Novel organic-inorganic hybrid oxides derived from simple coordination building blocks. C. Liu, B. A. Vanchura, S. D. Huang


343. Hydrolysis of alkaline earth metal derivatives: From molecular precursors to solid-state materials. W. Teng, L). Englich, K. Ruhlandt-Senge

344. Synthesis and characterization of meso-structured metal sulfides. C. Liu, B. A. Vanchura, S. D. Huang

345. Chemical aspects of environmentally enhanced crack growth in Ni-based super-alloys. C. F. Miller, G. W. Simmons, R. P. Wei

346. Solid-phase synthesis and photophysi-cal properties of ruthenium dendrimers. M. T. Tierney, M. W. Grinstaff

347. Molecularly imprinted zeolites and molecular sieves. Z. Zhang, S. Dai, Y. Wei, S. L Qiu

348. Automated solid-phase synthesis of linear metallo-assemblies. S. S. Filocamo, M. T. Tierney, M. W. Grinstaff

349. Novel magnetically coupled high-dimensional networks involving dicarbox-ylate. J-E. Koo, D-H. Kim, Y. Do

350. Polycationic liquid salts. S. Lall, V. Shteto, S. Castro, J-A. Han, F. Horowitz, J. I. Cohen, R. Engel

351. Dithioethercarboxylate funtionalized sol-gels for mercury(ll) separation. H-J. Im, S. D. Waezsada, C. E. Barnes, S. Dai, Z. Xue

352. Electropolymerized vinylbipyridine complexes of Ru(ll) in Si02 sol-gel films. J. C. Yang, M. Sykora, X. Wen, T. J. Meyer

353. New copper(ll) complexes for CVD of copper metal. M. S. BuFaroosha, Z. T. Cygan, A. M. James, F. R. Fronczek, A. W. Maverick

354. Precursors for strongly bonded 3-D frameworks. C. D. Steffek, Ο. Μ. Yaghi

355. Columnar bimetallomesogens. C. K. Lai, J-D. Yang

356. Development of monomers for synthesis of an o-polyaniline derivative. R. E. Ward, T. Y. Meyer

357. Withdrawn. 358. FT-Raman studies of Cd, Zn, Pd, and Ni

tetraphenylporphyrins. M. Mylrajan 359. Spectroscopy, structure, and reactivity

of group V amides. T. Y. Meyer, M. C. Burland, T. W. Pontz

360. Photocurrents coupled to oxidation by ruthenium polypyridyl complexes. L. A. Gallagher, S. A. Serran, T. J. Meyer

361. IR study of the class Il/class III boundary in dinuclear ruthenium mixed-valence complexes. R. J. Crutchley, M. C. De-Rosa, C. A. White, C. E. B. Evans

362. Long-lived metallic charge transfer and organic intraligand triplet states in Ru(ll)-pyrene and Os(ll)-anthracene complexes. A. Del Guerzo, C. Balazs, F. Fages, R. H. Schmehl

363. Withdrawn. 364. Sensitization of the luminescent state of

tris(2,2/-bipyridine)ruthenium(ll) by resonance energy transfer. D. S. Tyson, F. N. Castellano

365. Anion recognition through hydrogen bonding: A simple, yet highly sensitive, luminescent metal-complex receptor. S-S. Sun, A. J. Lees

366. Exciton-coupled circular dichroism studies of Cu(ll) complexes of A/,/V-bis(2-quinolylmethyl) amino acids and amino alcohols. A. E. Holmes, S. Zahn, T. Za-charatos, G. Motakis, J. W. Canary

367. Electrochemical and 31P NMR study of diphenyl-3,4-18-crown-6-phenylphosphine (PCE). C. Nataro, C. M. Thomas, H. M. Baseski, B. J. Wiza, K. M. Rourke

368. Electrochemical and optical properties of rhenium(l) carbonyl compounds of di-2-pyridyl ketone hydrazones. M. Bakir, O. J. Brown

369. Electron-driven chirality switch: Electrochemical switching. H. S. Barcena, S. Zahn, J. R. McBride, J. W. Canary

370. ESI-MS studies of thioether complexes of copper(l). H. W. Yim, D. Rabinovich

371. Epoxidation by paramagnetic chromium oxo complexes: The role of spin state and spin state crossings. J. S. Hess, D. J. Doren

372. Synthesis, characterization, and depro-tonation reactions of cationic alcohol complexes of osmium nitrosyl porphyrins. L. Cheng, G. B. Richter-Addo

373. Formation and reactions of rhodium porphyrin π-complexes. Y. Li, Β. Β. Wayland

374. Functionalized push-pull (arylethynyl-porphinato)metal compounds for nonlinear optical applications. T-G. Zhang, M. J. Therien

JULY 24, 2000 C&EN 9 9


375. Synthetic mechanisms for the formation of methyl alumoxane cocatalysts. S. J. Obrey, A. R. Barron

376. Metal-free metathesis catalysts: Using iminophosphoranes for multiple-bond metathesis. T. Y. Meyer, S. A. Bell, P. N. Riley, C. F. Fortney, D. J. Knapton

377. Living polymerizations of ethylene and α-olefins with Pd α-diimine catalysts. A. E. Collins, M. Brookhart

378. Mechanistic investigations of the bisphosphine nickel(ll)-catalyzed copoly-merization of olefins and carbon monoxide. C. S. Shultz, J. M. DeSimone, M. Brookhart

379. Neutral nickel(ll) alkyl complexes supported by chelating monoanionic NN donor ligands. H. L. Wiencko, T. H. Warren

380. Nickel(ll) complexes containing a multi-dentate amino- or phosphino-indenyl li-gand. L. F. Groux, D. Zargarian

381. Nitrogen ligand-bridged network complexes of copper(l) halides. R. D. Pike, P. M. Graham, J. T. Maeyer, W. T. Pennington, M. Sabat

382. Reactions of copper and copper alloys with aqueous organometallic compounds. J. Thayer

383. Synthesis, structures, and magnetic properties of carboxylate-bridged (μ-oxo)diferric complexes: From dimer to chain. D-H. Kim, J-E. Koo, C. S. Hong, Y. Do

384. Synthetic models for inorganic intermediates in the oxidation of hydrocarbons by Cr(VI). S. Puiu, Τ. Η. Warren

385. Synthesis and structures of novel qui-none derivatives of 4,5-dimercapto-1,3-dithiole-2-one and their transition-metal (M = Cu, Ni, Pd, Pt) complexes. M. A. Mendez-Rojas, S. G. Bodige, W. H. Watson

386. Synthesis and characterization of a novel photosynthetic model. A. A. Paterno, G. S. Girolami, C. L. Hein, K. S. Suslick

387. c/s.c/s-1,3,5-Triaminocyclohexane-Ν,Ν',Λ/''-triacetic acid (H3tachta) and its metal complexes. H. Luo, N. Eberly, R. D. Rogers, M. W. Brechbiel

388. Cobalt complexes of electron-rich bi-dentate monoanionic NN donor ligands. X. Dai, T. H. Warren

389. Synthesis, structure characterization, and insecticidal activities of some trior-ganotin dithiocarbamates. X. Song, G. Eng, Q. Duong, L. May

390. Transition-metal-containing supramo-lecular receptors. A. J. Goshe, B. Bosnich

391. Redox-active chiral metal oxide cluster anion: [a1-P2W17061Ce]7-. M. Sadakane, M. H. Dickman, M. T. Pope

392. Surprising developments in the chemistry of the lanthanide-sulfur bond. J. H. Melman, T. J. Emge, J. G. Brennan

393. Novel dinuclear lanthanide(lll) complexes of 2,6-diformyl-p-cresol. M. A. Singh-Wilmot, I. A. Kahwa

394. Actinide chemistry in air and water stable room temperature ionic liquids. W. J. Oldham Jr., D. A. Costa, B. L. Scott, K. D. Abney, W. H. Smith

395. Addition compounds of U02Br2 with O-donor ligands: Molecular structure of cis- and frans-U02Br2(OAsPh3)2. F. J. Ar-naiz, R. Aguado, M. J. Miranda, J. Mahia, M. A. Maestro

396. Actinide complexes containing fluorinat-ed amido ligands. S. M. Oldham, A. R. Schake, A. N. Morgan III, B. L Scott, J. G. Watkin, B. P. Warner

397. New routes to functionalized silsesqui-oxane frameworks. R-Z. Jin, F. J. Feher

398. Molybdenum imido complexes and their reactions with silanes. T. Chen, Z. B. Xue

399. Molecular approaches to Ta-Si-N ternary materials: Preparation of tatanium ami-do silyl complexes and reactions of metal amides with silanes. H. Cai, Z. Wu, T. Chen, Ζ. Β. Xue

400. Synthesis of amine-functionalized me-soporous silicas: Comparison of synthetic procedures. B. Lee, Y. Kim, J. Yi

401. Synthesis and characterization of osmium-containing silsesquioxanes. E. Lucenti, F. J. Feher, J. W. Ziller

402. Synthesis and characterization of a very hindered silicon phthalocyanine. X. Peng, M. E. Kenney

403. Polymerization chemistry of functionalized organotrialkoxysilanes. D. A. Loy, K. Rahimian, D. Gara, M. Minke, D. A. Schneider, A. Sanchez, C. Baugher, B. M. Baugher

404. Preparation and characterization of bis-(trimethylsiloxy)-1,4,8,11,15,18,22,25-octaethoxy-29H,31 H-phthalocyanine. G. Hao, M. E. Kenney

405. Selenium-77 NMR studies and theoretical calculations for (CH3)4_xSi(SeCH3)x. J. M. Iriarte-Gross, Z. Rezaei

406. Alkali and alkaline-earth metal silanes: A synthetic and structural study. D. M. Jenkins, K. Ruhlandt-Senge, U. Englich

407. Alkaline-earth amides and imides: Synthesis and structures. W. Vargas-Gregory, U. Englich, K. Ruhlandt-Senge

WEDNESDAY MORNING


• Density Functional Theory in Inorganic Chemistry Contributed papers

W. H. Armstrong, Presiding 8:20—408. Density functional study on cyclo-

pentadienyl ring slippage in substitution reactions of transition-metal complexes. H-J. Fan, M. B. Hall

8:40—409. Two-state reactivity: A solution to Bergman's ethylene C-H activation mystery? J. N. Harvey, R. Poli, K. M. Smith

9:00—410. Density functional theory study of the hydroformylation catalytic cycle: Solvation effects, steric effects, and substrate effects. S. A. Decker, T. R. Cundari

9:20—411. Inverse halogen effect: Using density functional theory and photoelec-tron spectroscopy to explore bonding in M2X4(PMe3)4 (M = Mo.W, Re; X = halogen). J. B. English, D. L. Lichtenberger

9:40—412. Application of density functional theory to photoelectron spectroscopy: Using ADF to understand periodic trends in metal-metal bonded systems. M. A. Lynn, D. L. Lichtenberger

10:00—413. Electronic structure of volatile copper(l) clusters. A. W. Maverick, M. S. BuFaroosha, A. M. James, C. M. Brett, B. E. Bursten

10:20—Intermission. 10:30—414. Magnetic coupling in and reac

tivity of multinuclear manganese(IV) compounds: Insight from density functional theory. W. H. Armstrong, C. E. Dubé, D. Gatteschi, R. Sessoli, F. Totti, L. Noodle-man

10:50—415. DFT studies of adamanzane-metal complexes. S. T. Howard

11:10—416. Theoretical study of the reaction mechanism of dimethyl sulfoxide reductase, a molybdenum-containing oxotrans-ferase enzyme. C. E. Webster, M. B. Hall

11:30—417. DFT study of a reaction of Ni(TIM)SR: A hypothetical model of proton transfer in methylcoenzyme M reductase. P. A. Bryngelson, J. N. Figlar, M. J. Maroney

11:50—418. Dioxygen binding to deoxyhe-mocyanin and related multicopper active sites: Electronic structures and mechanism of the two-electron reduction of 02 . M. Metz, E. I. Solomon

12:10—419. Relativistic DFT studies of the speciation of plutonium ions in water. J-P. Blaudeau, Β. Ε. Bursten


Materials M. Zimmer, Organizer A. R. Barron, Presiding 8:30—420. Zeolites with negative Poisson's

ratios. J. N. Grima, A. Alderson, K. E. Evans

421. Withdrawn. 8:50—422. Boron carbide and boron carbide/

silicon carbide single-source precursors to nanostructured materials. L. G. Sneddon, M. J. Pender

9:10—423. Single-source polymeric precursors to boron- and zirconium-modified silicon carbide ceramics. A. R. Brunner, E. E. Remsen, K. Su, L. G. Sneddon

9:30—424. Rapid calcination of nanoporous silicate precursors by assisted microwave irradiation. C. C. Landry, K. W. Gallis

9:50—425. Nanoarchitectures: Building composites from Au and CdSe nanomaterials. S. L. Cumberland

10:10—426. Shape- and size-controlled synthesis of CdS nanofibers and monodis-perse CdS and C d ^ M ^ S , (x < 5%) nan-oparticles. C-S. Yang, J. Kim, G. D. Stucky, J. Gupta, D. D. Awschalom

10:30—427. Synthesis of zinc chalcogenide nanocrystals via a temperature-controlled molecular precursor approach. J. Cheon, J-E. Koo, Y-W. Jun

10:50—428. Investigation into the mechanism of cement hydration inhibition. M. Bishop, A. R. Barron

11:10—429. Application of carboxylate-alumoxanes nanoparticles as post-process infiltration, surface repair, and strengthening agents for ceramic bodies. K. A. DeFriend Varela, A. R. Barron

11:30—430. Doped quantum dots. Κ. Μ. Hanif, G. F. Strouse

11:50—431. Improving selectivity of CdSe chemical sensors using molecular imprinting. A-M. L. Nickel, F. Seker, A. B. Ellis


Synthetic and Mechanistic Organometallic Chemistry S. G. Shore, Organizer, Presiding 8:30—Introductory Remarks. 8:40—432. Rhodium complexes tethered on

gold particles as catalysts for the hydrogénation of olefins. R. J. Angelici, H. Gao

9:00—433. Dihydrogen complexes and catalytic hydrogénation. G. Jia

9:20—434. GEMINOX process: A new butane-to-butanediol technology. T. G. At-«g

9:40—435. Elementary steps of Ziegler-Natta catalyst intermediates formation: Incorporation of magnesium alkoxides with Ph3SiOH, AI(CH3)3, and MCI4 (M = Ti, Zr, V). P. Sobota

10:10—Intermission. 10:20—436. Coupling of isocyanides, carbon

monoxide, and alkynes on Mn. J. J. Alexander, C. L. Homrighausen, J. Krause Bauer

10:40—437. Synthesis and matrix isolation studies of isocyanide iron complexes. J. E. Shade, A. Rest

11:00—438. Reactions of fullerene-60 with carbonylate anions: New routes to fullerene complexes. M. C. Baird, D. M. Thompson, J. A. MacLeod

11:20—439. Recent synthetic studies of Ga and In compounds from our laboratories. S. A. Duraj, R. Browne, A. Al-Fawaz, L. Ye, J. Wolf, A. F. Hepp, J. D. Harris, P. E. Fan wick, J. Cowen

11:40—440. Kinetic study of the substitution by PMe3 of the unique carbonyl in (μ-Η)3-OS 3 (CO) 9 (M 3 -BCO) and (μ-Η)3- Os3(CO)8-(PPh3)(p3-BCO). D-Y. Jan, J. A. Krause-Bauer, D. A. Workman, L-Y. Hsu, S. G. Shore

WEDNESDAY AFTERNOON


Electron Transfer M. Zimmer, Organizer J. F. Endicott, Presiding 1:00—441. Engineering metal complexes for

photoinduced multielectron transfer. H. Jude, K. D. Lambert, W. L. Fleeman, A. J. Reichert, T. W. Green, W. B. Connick

1:20—442. Photoinduced charge transfer in some novel platinum(ll) diimine bis-(acetyiide) complexes. J. E. McGarrah, M. Hissler, Y-J. Kim, R. Eisenberg

1:40—443. Effects of electron derealization in metal-to-ligand charge-transfer excited state. Y. Li, K. S. Schanze

2:00—444. Electrochemical studies of nano-particle self-assembled monolayers. S. Chen


2:20—445. Intermolecular optical electron transfers in polyether hybrid molten salts of mixed-valent ruthenium compounds. J. E. Ritchie, R. W. Murray

2:40—446. Synthesis and spectroscopy of conjugated metallopolymer systems. N. L. Gebhart, M. E. Helton, R. L. McNaughton, K. L. Butler, M. L. Kirk

3:00—447. Toward ferrocene-based molecular transistors. C. Engtrakul, L. R. Sita

3:20—448. Voltammetry and spectroelectro-chemistry of 17-electron complexes [CpRh(CO)PR3]+. S. M. Trupia, W. E. Gei-ger, T. E. Bitterwolf

3:40—449. Electron-transfer emission in simple transition-metal donor-acceptor systems: The relevance of high-frequency vibrational modes to electron transfer in the Marcus inverted region. J. F. Endicott, P. McNamara, A. V. Macatangay, T. Buranda

4:00—450. Electron tunneling in proteins. A. A. Stuchebrukhov

4:20—451. Gating of photoinduced energy transfer in multiporphyrin arrays. R. K. Lammi, A. Ambroise, T. Balasubramania, J. R. Diers, R. W. Wagner, D. F. Bocian, J. S. Lindsey, D. Holten

4:40—452. Synthesis and photophysics of hybrid porphyrin polymers. S-W. Yang, F. Cease, H. Nguyen, A. Pristera, W. E. Jones Jr.

5:00—453. Oxidation of cysteinato complexes of dimeric molybdenum(V) by hexa-chloroiridate(IV) in aqueous perchlorate solution. O. A. Oyetunji, J. J. Tore


Materials R. E. Bachman, Presiding 1:50—454. Hydrothermal synthesis and

structure of metal oxides and coordination polymers incorporating asymmetric bipyri-dines. R. L. LaDuca Jr., M. C. Desciak, C. Brodkin, R. S. Rarig Jr., J. A. Zubieta

2:10—455. Investigation of threading group structure on pseudorotaxane formation. T. Clifford, D. H. Busch

2:30—456. Structural and phase behavior studies of simple 4,4/-dialkyl-2,2'-bipyri-dine platinum 1,2-benzenedithiolato complexes. R. E. Bachman, T. M. Cocker

2:50—457. Synthesis, structure, and phase behavior of platinum complexes containing substituted bipyridine ligands. R. E. Bachman, S. Dibrov

3:10—458. Influence of aurophilic bonding on the supramolecular structure and physical properties of simple gold(l) complexes. R. E. Bachman, S. A. Bodolosky-Bettis, S. C. Glennon

3:30—459. Borophosphate-based meso-porous materials. S. D. Huang, C. Liu, B. A. Vanchura

460. Withdrawn. 3:50—461. Cluster-expanded metal-cyanide

frameworks: Enhanced properties and unprecedented structures. M. V. Bennett, L. G. Beauvais, M. P. Shores, J. R. Long

462. Withdrawn. 4:10—463. Novel open framework uranyl

molybdates. C. L. Cahill, S. V. Krivov-ichev, P. C. Burns


Organometallic Chemistry M. Zimmer, Organizer T. H. Warren, Presiding 1:50—464. One-electron reduction of

B(C6F5)3 by organometallic reductants. R. J. Kwaan, J. R. Norton

2:10—465. Three- and four-coordinate organometallic complexes of Mn-Ni supported by monoanionic NN bidentate donor ligands. T. H. Warren, X. Dai, H. L. Wiencko, S. Puiu

2:30—466. Amphoteric terminal carbyne. A. E. Enriquez, J. L. Templeton

2:50—467. Indenyl effects in open dienyl ligands: Control of the barrier to 1,4-hydride shifts in cyclohexadienyl complexes with fused substituents that lead to ground-state distortions. J. M. Veauthier, S. J. Geib, N. J. Cooper

100 JULY 24, 2000 C&EN

3:10—468. Bite angle effects on regioselec-tivity of allylic alkylation. R. J. Van Haaren, P. W. N. M. Van Leeuwen, G. P. F. Van Strijdonck, H. Oevering, J. Ν. Η. Reek, P. C. J. Kamer

3:30—469. Cationic complexes of plati-num(ll) and iridium(lll). P. J. Albietz, K. Yang, R. J. Lachicotte, R. Eisenberg

3:50—470. Coordination chemistry of di(3-methylindolyl)methanes and tri(3-meth-ylindolyl)methane. M. R. Mason, T. S. Barnard, M. F. Segla, D. Ogrin

4:10—471. Phosphorus-mediated double bond metathesis: A comparison with transition-metal-mediated reactions. T. Y. Meyer, S. A. Bell, P. N. Riley, D. J. Knap-ton, C. F. Fortney

4:30—472. Reactions of Ru chlorophos-phines with phenoxide ligands: Unexpected pathways arising from low oxophilicity. J. L. Snelgrove, D. E. Fogg

4:50—473. C-H bond activation of a hydro-(tris^butyl-S-methyOpyrazolyOborate cobalt complex by a cobalt oxo analog. S. Thyagarajan, K. H. Theopold, A. L. Rheingold

5:10—474. Rhenium(l) ^-coordinated complexes of furan: A study of kinetics, thermodynamics, and reactivity. L. A. Friedman, W. D. Harman


Synthetic and Mechanistic Organometallic Chemistry Β. Ε. Bursten, Presiding

1:30—475. Synthesis and structure of a tricyclic bis(zirconacyclopentadiene) compound. M. F. Farona, B. Du, W. J. Youngs, D. B. McConnville

1:50—476. Stereochemical consequences of organometallic reaction mechanisms: A new source of axial chirality via R3Sn-SiR3-mediated diyne cyclizations catalyzed by palladium. T. V. RajanBabu, S. Greau

2:10—477. Observing new intermediates in the reaction of dihydrogen with iridium and rhodium A-frame complexes using parahydrogen-induced polarization. R. Eisenberg, S. Millar Oldham, J. Houlis, C. J. Sleigh, S. B. Duckett

2:30—478. Selective C-C and C-H bond formation reactions in dinuclear μ-carbyne complexes. L. Busetto

2:50—479. Metal-metal bond formation in oxidative addition reactions. J. P. Fackler Jr., T. F. Carlson, D. C. Neitling

3:10—Intermission. 3:20—480. Searching for cooperative effect

via phosphido-bridged bimetallic complexes. S-G. Shyu

3:50—481. Reactivity of ruthenium-platinum and iron-platinum heterobinuclear complexes: The bridging allenyl ligand as reaction template for the formation of hetero-trinuclear complexes and other products. R. R. Willis, C. E. Shuchart, A. Wojcicki

4:20—482. Theoretical studies of the structures and dynamics of Mn2(CO)n complexes: A tribute to Andy Wojcicki. Β. Ε. Burst-en, T. A. Barckholtz

A Catalysis



• Environmental H Materials ^ Pharmaceuticals & Life

Sciences


THURSDAY MORNING


Environmental Inorganic Chemistry M. Zimmer, Organizer C. M. Hartshorn, Presiding 9:00—483. Actinide complexes of microbially

produced chelators. D. J. Chitwood, M. T. Johnson, J. H. Matonic, C. E. Ruggiero, M. P. Neu

9:20—484. Actinide interactions with Au-reobacterium flavescens and Deinococcus radiodurans. S. G. John, C. E. Ruggiero, L E. Hersman, M. P. Neu

9:40—485. How much is enough? (Nano-scopic reactors for chemical actinometry). I. Orszagh, G. Bazsa, L. Balogh

10:00—486. Metal-chelator polymers as bio-mimetic organophosphate catalysts. C. M. Hartshorn, A. Singh, E. L. Chang

10:20—487. Highly sensitive conjugated polymer chemosensors: Nonlinear Stern-Volmer quenching with metal ions. C. B. Murphy, Y. Zhang, B. King, E. Soek, S. Chatterjee, W. E. Jones Jr.

10:40—488. Physicochemical characterization of soils used in identification of potential source contamination: A case study at a National Priorities List site in Denver. M. P. Goldade, J. W. Drexler, B. E. Lavelle, W. J. Brattin

11:00—489. Green chemistry of the molyb-docene metallocene in pesticide hydrolysis and metal hydride reduction in water. L. Y. Kuo

11:20—490. Kinetics and mechanism of bicarbonate-catalyzed oxidation of arylsul-fides by hydrogen peroxide. D. A. Bennett, H. Yao, K. M. Frank, C. Xu, D. E. Richardson

Section Β Renaissance Washington Auditorium

Materials J. C. DePaula, Presiding 8:30—491. Magnetic alignment of metallo-

porphyrazine columnar aggregates. B. D. Pate, D. V. Baxter, M. H. Chisholm, U. Werner-Zwanziger, J. M. Zaleski

8:50—492. X-ray photoelectron spectroscopy as a probe of intermolecular interactions in thin films of metalloporphyrin arrays. D. M. Sarno, L. J. Matienzo, B. Jiang, W. E. Jones Jr.

9:10—493. New spectroscopic probes of light-harvesting materials. J. de Paula, M. Ranen, S. Frey, R. Pasternack, P. Col-lings, E. Gibbs

9:30—494. Sensitized near-IR lanthanide luminescence for optical amplification. G. A. Hebbink, F. C. J. M. Van Veggel, D. N. Reinhoudt, L. Grave

9:50—495. Molecular and electronic structures of luminescent sandwich intercalates of trinuclear gold(l) complexes. M. A. Omary, M. Rawashdeh-Omary, J. P. Fackler Jr., A. Burini, R. Galassi, B. R. Pietroni

10:10—496. Electrogenerated chemilumi-nescence of ruthenium(ll) diimine complexes on optically transparent electrodes. A-M. Andersson, W. Kim, S. Wadhwa, R. Schmehl

10:30—497. Spectroscopic investigations of a 2,2,-bipyridyltetracyanoruthenate salt: A solid-state water sensor. K. R. Mann, J. K. Evju

10:50—498. Emission and X-ray diffraction studies of the vapochromic properties of Pt(CN)2(p-CNC6H4C2H5)2. C. E. Buss, K. R. Mann

11:10—499. Mixed phosphine-verdazyl complexes of copper(l): Model compounds for magnetic materials. O. J. R. Brook, V. Abeyta

11:30—500. Ligand-unassisted argentophilic and aurophilic attractions in solution. M. Rawashdeh-Omary, M. A. Omary, H. H. Patterson

11:5fj—501. Liquid-crystalline copper complexes exhibiting crossover phase behavior. E. Sinn, J. M. Elliott, J. R. Chipperfield


Organometallic Chemistry M. R. Mason, Presiding 8:50—502. Tuning the redox potential of

tetraphenylcyclobutadiene-cyclopentadienyl-nickel complexes through substitution. P. R. Craig, J. M. Ray, M. Trujillo, J. P. Kirby, J. R. Miller, J. Michl

9:10—503. Protonation of CpW(CO)2-(PMe3)H: Is the metal or the hydride the kinetic site? E. T. Papish, J. R. Norton

9:30—504. Reactions of LiN(SiMe2CH2PR2)2 with unsaturated ruthenium hydrides. L A. Watson, J. N. Coalter III, K. G. Caulton

9:50—505. Mechanistic study of the reaction of (Ti2-ethylene)Mn(CO)5

+ with Re(CO)5-. D. C. Hoth, J. D. Atwood

10:10—506. Synthesis and reactivity of W(IV) arene complexes. R. C. Mills, J. M. Boncella, K. A. Abboud

10:30—507. Synthesis and coordination chemistry of constrained, π-acidic phos-phines. T. S. Barnard, M. R. Mason

10:50—508. New dialkyl zirconium complexes that contain [MesN2NMe]2": Synthesis and reactivity. Y. Schrodi, R. R. Schrock, P. Bonitatebus

11:10—509. Probing individual steps of dynamic exchange with 31P EXSY NMR spectroscopy: Synthesis and characterization of the [E7PtH(PPh3)]2- zintl ion complexes [E = P, As]. B. Kesanli, B. Eich-horn


Transition Metals M. Zimmer, Organizer U. Kortz, Presiding 9:00—510. Synthesis and characterization of

novel transition-metal-substituted silico-tungstates. U. Kortz

9:20—511. Diamidoamine complexes of molybdenum, tungsten, and rhenium. F. V. Cochran, R. R. Schrock

9:40—512. Influence of alkoxide and thiolate ligands on the structure and reactivity of molybdenum and tungsten complexes. M. H. Chisholm, E. R. Davidson, J. C. Huffman, Κ. Β. Quinlan

10:00—513. Molybdenum and tungsten dini-trogen complexes that contain aryl-substituted triamidoamine ligands. G. E. Greco, R. R. Schrock

10:20—514. Mechanism of selective nitrous oxide N-N bond cleavage by three-coordinate molybdenum(lll) complexes: Experiment vs. theory. J-P. F. Cherry, C. C. Cummins

10:40—515. Synthesis and characterization of d5 Re(ll) diphosphine luminophores. S. J. Enyeart, J. R. Kirchhoff

11:00—516. Ruthenium-platinum polypyridyl complexes: Synthesis, characterization, and DNA binding. R. L. Williams, M. Milkevitch, K. J. Brewer

11:20—517. Preparation, characterization, and reactivity of K2[Ru(bpy)(N02)4]: A useful synthon for ruthenium-nitro complexes. D. A. Freedman, D. Janzen, K. R. Mann, H. Tully, M. O'Connell, A. R. Andersen

11:40—518. Synthesis and characterization of neutral and cationic novel niobocene complexes. F-C. Liu, S. Liu, E. A. Meyers, S. G. Shore

12:00—519. Synthesis, characterization, and reactivity of cyclic organohydroborate ti-tanocene complexes. F-C. Liu, C. E. Plec-nik, J. Liu, S. Liu, E. A. Meyers, S. G. Shore


THURSDAY AFTERNOON


Organometallic Chemistry S. K. Mandai, Presiding 1:30—520. Synthesis of the Re(V) sulfide

complex, Cp'ReCI2S3, and reactivity with dihydrogen to form dinuclear rhenium complexes. S. E. Hobert, M. R. DuBois, B. C. Noll

1:50—521. Synthesis, reactivity, and theoretical studies of cationic Re(lll) methyl and hydrido methylene complexes. J. R. Krumper, P. J. Hay, R. L. Martin, R. G. Bergman

2:10—522. Synthesis, stability, and selectivity of dihapto-coordinated aldehydes, ketones, esters, amides, olefins, and arènes utilizing the π-basic asymmetric metal fragment t[TpRe(CO)(1 -methylimidazole)*]. S. H. Meiere, W. D. Harman

2:30—523. One-pot synthesis of rhenium(l) alkylcarbonato complexes, /ac-(CO)3(P-P)ReO(C(0)OR. K. Johnson, J. Sturgis, D. M. Ho, S. K. Mandai

2:50—524. Synthesis and chemistry of [Cp*(PMe3)Rh(R)(solv)]+ (R = Me, Ph, H). F. L. Taw, R. G. Bergman, M. S. Brookhart

3:10—525. Synthesis and reactivity of a neutral, ruthenium silylene complex containing chloride and diphosphine ligands. D. Amoroso, D. E. Fogg

3:30—526. Ruthenium carbenes derived from cyclic ethers and amines. J. N. Coalter III, J. C. Huffman, K. G. Caulton

3:50—527. Preparation of a novel, dicationic palladium hydroxo dimer, [(PN)Pd(M-OH)]2

2+, by protonation of the terdentate PNC ligand with water. A. D. Getty, K. I. Goldberg

4:10—528. Synthesis and characterization of bidentate water-soluble phosphines and their platinum(ll) complexes. D. W. Lucey, J. Atwood

4:30—529. Synthesis, characterization, and solution behavior of the water-soluble complex PtCI2TPPTS2 [TPPTS = P(m-C6H4S03Na)3]. L W. Francisco, J. Atwood

4:50—530. Au2Pt7(CO)8(PPh3)6: Preparar-tion and experimental/theoretical analyses of this bimetallic cluster containing a geometrically unprecedented Au2Pt7 core. S. A. Ivanov, M. A. Kozee, L. F. Dahl

5:10—531. Convenient high-yield syntheses of dimolybdenum- and ditungsten-tetra-(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-ajpyrimidine) complexes: M2(hpp)4X2 and M2(hpp)4. P. J. Wilson, M. H. Chisholm, J. C. Huffman

Section Β Renaissance Washington Auditorium

Solid-State Chemistry M. Zimmer, Organizer R. Rousseau, Presiding 1:30—532. Constant pressure ab initio mo

lecular dynamics applied to reactions in solids. R. Rousseau

1:50—533. Exfoliation and layer-by-layer assembly of lamellar perovskite solids and thin films. R. E. Schaak, Τ. Ε. Mallouk

2:10—534. Luminescence thermochromism in pure and doped crystals of the dicyanoar-gentates(l). M. Rawashdeh-Omary, M. A. Omary, C. L Larochelle, H. H. Patterson

2:30—535. Magnetic and transport properties of Ba-M-S systems (M = Fe, Mn). S. Z. Gonen, B. W. Eichhorn

2:50—536. Molecular coupling layers formed by reactions of epoxy resins with self-assembled carboxylate monolayers grown on the native oxide of aluminum. C. L. Edwards, C. T. Vogelson, A. Keys, A. R. Barron

3:10—537. Organic-inorganic hybrid assemblies containing stilbazolium-type cations in the anionic borophosphate hosts as second-order nonlinear optical materials. C. Liu, B. A. Vanchura, S. D. Huang

3:30—538. Synthesis, characterization, and calorimetric studies of A2TiSi6015 (A = Na, K, Cs). M. Nyman, T. M. Nenoff, F. Bonhomme, D. M. Teter, R. S. Maxwell, H. Xu, A. Navrotsky

JULY 24, 2000 C&EN 1 0 1

INOR/MEDIATECHNICAL PROGRAM


Transition Metals M. H. Dickman, Presiding 1:30—539. Transition-metal complexes sup

ported by tris(phosphino) borate ligands. J. C. Peters, M. Allen, J. C. Thomas, J. A. Duimstra

1:50—540. Bridging hydroxyl groups in a dinuclear copper(ll) complex and their reactivities. M. M. Aly

2:10—541. Reactions of coordinated hexafluoroacetylacetone. M. H. Dickman

2:30—542. Synthesis and electronic structures of Pt(ll) complexes with a mer-coordinating aryl-tridentate ligand. H. Jude, J. K. Bauer, W. B. Connick

2:50—543. Multidentate pyrrolyl ligands in early transition metal chemistry. A. L. Odom, S. A. O'Kane

3:10—544. Photogeneration and reactivity of a cationic initiator in an electrospray ionization mass spectrometer. C. Kutal, I. J. Amster, W. Ding, K. Johnson

3:30—545. Photophysics of linear and bent π-conjugated oligomers incorporating MLCT chromophores. K. A. Walters, K. D. Ley, K. S. Schanze

3:50—546. Probing the electronic structures of multiply-charged transition-metal complex anions in the gas phase using electrospray and photodetachment spectroscopy. L-S. Wang, X-B. Wang

4:10—547. Tunable energy transfer in gold(l) and silver(l) layered solids. H. H. Patterson, C. L. Larochelle, M. Rawashdeh-Omary

MEDI

DIVISION OF MEDICINAL CHEMISTRY D. A. Trainor, Program Chair


Global Issues of Intellectual Property Affecting the Chemical, Biotechnology, and Pharmaceutical Industries (see Division of Chemistry & the Law, Sun, page 72)


SOCIAL EVENT: Sun BUSINESS MEETING: Sun

SUNDAY MORNING


General Oral Papers I D. A. Trainor, Organizer

8:30—1. New class of drug candidates for lung and prostate cancer. J. M. Stewart, L. Gera, E. J. York, D. C. Chan, P. A. Bunn Jr.

8:50—2. New synthesis platform for medicinal chemists. B. Moshiri, D. Enders, J. Kobberling

9:10—3. Boron-mediated amidation of car-boxylic acids for facile preparation of oral drug-delivery agents. P. Tang, A. Leone-Bay

9:30—4. Chlorophyll-a-based bisaminoeth-anethiol and modified DTPA conjugates as diagnostic and therapeutic agents. G. Li, B. Ma, Z. Grossman, T. J. Dougherty, R. K. Pandey

9:50—5. Potent, nonsteroidal androgen receptor modulators based on 2-quinolinone scaffolds: A platform for selective androgen receptor modulators (SARMs). R. I. Higuchi, L. Zhi, J. P. Edwards, T. R. Caf-erro, J. D. Ringgenberg, S. J. West, J. W. Kong, L. G. Hamann, K. L. Arienti, M. L. Cummings, M. Wu, C. M. Tegley, T. K. Jones, F. J. Lopez, K. B. Marschke, W. T. Schrader

10:10—6. Rational design of pyrrolo[1,2-a]benzimidazole-based antitumor agents targeting the DNA major groove: The en-antioselection of cancers. E. B. Skibo, X. Huang, A. Suleman

10:30—7. Structure-activity relationship, crystal structure, and biological evaluation of potent poly(ADP-ribose) polymerase-1 inhibitors. S. S. Canan Koch, L. H. Thore-sen, J. G. Tikhe, K. A. Maegley, J. Li, X-H. Yu, R. J. Almassy, Κ. Ε. Zhang, S. E. Zook, R. A. Kumpf, C. Zhang, T. J. Boritz-ki, C. R. Calabrese, N. J. Curtin, C. A. Delaney, S. Kyle, H. D. Thomas, L-Z. Wang, D. R. Newell, Z. Hostomsky, S. E. Webber

10:50—8. Structure-based discovery and interaction study of a novel organic compound that binds Bcl-2 protein and induces apoptosis of tumor cells. D. Liu, J. Wang, Z. Zhang, N. Yu, S. Shan, X. Han, S. M. Srinivasula, C. M. Croce, E. S. Al-nemri, Z. Huang

11:10—9. Systematic studies on improving the tumor affinity of the w'c-dihydroxy-bacteriopurpurins as long-wavelength photosensitizers for photodynamic therapy. G. Zheng, W. R. Potter, T. J. Dougherty, R. K. Pandey

11:30—10. Benzodiazepine template: Application to PDE4 and other targets. C. R. Andrianjara, P. Ducrot, R. Wrigglesworth


* RNA as a Drug Target Cosponsored with Division of Organic Chemistry J. M. Schwab, C-H. Wong, Organizers, Presiding 8:30—Introductory Remarks. 8:35—11. X-ray structures of functional com

plexes of the 70S ribosome. H. F. Noller, M. M. Yusupov, G. Z. Yusupova, T. N. Earnest, J. H. Cate

9:10—12. RNA-ligand interactions: NMR for structure determination and for ligand screening. J. R. Williamson, H. Mao, V. Feher, J. Moore

9:45—13. RNA as a therapeutic target for bleomycins. S. M. Hecht

10:20—14. From sequence-specific RNA binders to bifunctional antibiotics. C-H. Wong

10:55—15. Ligand-based technique for the discovery of drugs targeting structured RNA. E. E. Swayze, S. Hofstadler, K. Lowery, J. Drader, E. A. Jefferson, P-P. Kung, Y. Ding, M. T. Migawa, K. G. Spran-kle, V. Mohan, S. Osgood, R. H. Griffey


SUNDAY AFTERNOON


General Oral Papers II J. Fol mer, Presiding 1:30—16. De novo design of peptidomimetic

inhibitors of HCV NS3 protease. I. Stans-field, J. Ontoria, M. Poma, S. Harper, U. Koch, S. DiMarco, C. Steinkuhler, V. Matassa

1:50—17. Small peptide-based inhibitors of the hepatitis C virus serine protease. F. Narjes, S. Colarusso, B. Gerlach, K. Koehler, U. Koch, C. Steinkuhler, R. Baz-zo, M. Sollazzo, S. Altamura, R. De Francesco, V. G. Matassa

2:10—18. Discovery of novel tripeptide inhibitors of the hepatitis C virus serine protease. M. Llinas-Brunet, M. Bailey, J. Bordeleau, C. Brochu, D. Cameron, M. Cartier, J-S. Duceppe, A-M. Faucher, G. Fazal, E. Ghiro, V. Gorys, N. Goudreau, S. Goulet, C. Grand-Maître, T. Halmos, S. LaPlante, M. Marquis, R. Maurice, H. Nar, M. Poirier, M-A. Poupart, B. Simoneau, J. Rancourt, D. Thibeault, Y. Tsantrizos, D. Wernic, D. Lamarre

2:30—19. Ethnobotanical survey of medicinal plants traditionally used for cure of highland malaria in Kenya. W. M. Njue

2:50—20. Semisynthesis of novel pseudo-mycin analogs: A new class of promising antifungal agents. M. J. Rodriguez, M. Belvo, R. Morris, D. Zeckner, W. Current, R. Sachs, M. Zweifel

3:10—21. Discovery of a nonpeptide small-molecule antagonist of the human platelet thrombin receptor (PAR-1). H. Selnick, P. G. Nantermet, K. Rittle, G. F. Lundell, J. C. Barrow, K. Glass, M. Young, J. M. Pel-licore, P. L. Ngo, R. Freidinger, K. Pren-dergast, R. Gould, C. Condra, J. Kar-czewski, T. Connolly

3:30—22. Metallated angiotensin converting enzyme inhibitors: Synthesis and biological applications. R. S. Pandurangi

3:50—23. Design, synthesis, and evaluation of bicyclic pyridones as thrombin inhibitors. C. Coburn, D. Rush, P. Williams, Y. Nguyen, C. Kolatac, P. Sanderson, B. Dorsey, S. D. Lewis, B. Lucas Jr., J. Vacca

4:10—24. Crystal structures of human factor Xa complexed with potent inhibitors: P. V. Mikol, S. Maignan, J-P. Guilloteau, Y. M. Choi-Sledeski, M. R. Becker, W. R. Ewing, H. W. Pauls, A. P. Spada


• Small-Molecule Inhibitors of Protein-Protein Interactions G. Ellestad, J. Chmielewski, Organizers 1:00—25. Design of inhibitors of the VCAM/

α4β1 interaction from protein and peptide structure-function data. D. R. Artis, D. Jackson, M. Reynolds, C. Quan, T. Raw-son, H. Chiu, M. Renz, K. Clark, S. Keating, M. Beresini, S. Fong

1:40—26. Disruption of protein-protein interactions using synthetic protein surface binding agents. A. D. Hamilton, H. S. Park, R. Jain, Q. Lin

2:20—27. Design of potent p56lck SH2 inhibitors efficacious in assays of T-cell activation. N. Moss, R. Betageri, M. Cardozo, T. Gilmore, E. R. Hickey, S. Jakes, A. Kab-cenell, T. Kirrane, S. Lucas, U. Patel, J. Proudfoot, R. Sharma, D. R. Cameron, P. L. Beaulieu, J-M. Ferland, J. Gauthier, E. Ghiro, J. Gillard, V. Gorys, M. Llinas-Brunet, M. Poirier, J. Rancourt, D. Wernic

3:00—28. Novel lead compounds discovered by fragment assembly. M. J. Plunkett, J. Prescott, D. Allen, P. Pham, D. Raphael, C. Wiesmann, A. A. Virgilio, M. Bui

3:40—29. Small-molecule dimerization inhibitors of HIV protease. J. Chmielewski, R. Zutshi, M. Shultz, M. Bowman, Y-W. Ham, X. Zhao, G. Tora



SUNDAY EVENING



Poster Session I D. A. Trainor, Organizer 7:30-10:00 30. Structure-based design of novel uroki

nase inhibitors derived from 2-naph-thamidine. T. W. Rockway, W. J. McClel-lan, J. F. Dellaria, J. Gong, R. A. Mantei, A. Geyer, M. Wendt, X. Zhao, M. Weitzberg, D. Sauer, M. Bruncko, C. Dal-ton, M. Kaminski, V. Giranda, C. Butler, V. Klinghofer, M. Joseph, V. Nienaber, K. Stewart

31. Synthesis of tetrocarcin derivatives toward specific inhibitors of Bcl-2 functions. M. Kaneko, T. Nakashima, Y. Uosaki, M. Hara, S-l. Ikeda, Y. Kanda

32. Informatics-based approach for drug discovery. L Shao, D. Yang, S. Wang

33. Synthesis and metalloregulated DNA binding of aza-analogs of the bis(benzox-azole) anticancer natural product UK-1. S. M. Kerwin, M. Reynolds, D. Kumar

34. Synthesis and biological evaluation of di-hydronaphthalene and indene antitubulin ligands. K. G. Pinney, Z. Chen, V. P. Mo-charla, J. K. Ploszay

35. Synthesis of labeled paclitaxel analogs for REDOR NMR experiments. Β. Β. Metaferia, D. G. I. Kingston

36. Biological activity and SAR of novel mac-rocyclic taxoids. M. L. Miller, X. Geng, S. Lin, P. Pera, R. J. Bernacki, I. Ojima

37. Design, synthesis, and SAR of taxane reversal agents for the reversal of multidrug resistance in cancer cells. M. L. Miller, S. Chakravarty, P. Bhansali, K. Hung, R. Pracitto, P. Pera, R. J. Bernacki, I. Ojima

38. Syntheses and biological evaluation of fluorescent labeled paclitaxel analogs. E. Baloglu, D. G. I. Kingston, S. Bane, P. Patel

39. Dioxolobenzopyrroloazepines: Synthesis and evaluation of cytotoxicity and antitubulin activity. D. Lu, M. Chen, X. Cao, J. Guo, X. Liang

40. Comparative molecular field analysis of colchicine inhibition and tubulin polymerization for combretastatins binding to the colchicine binding site on β-tubulin. M. L. Brown, J. M. Rieger, T. L. Macdonald

41. Comparison of structural requirements needed for activity toward plant versus mammalian cells for nitrocyclohexenes and related compounds which target the colchicine binding site. D. H. Young, C. M. Tice, E. L. Michelotti, R. C. Roemmele, R. A. Slawecki, F. M. Rubio, J. A. Rolling

42. Focused library approach to PTP inhibitor discovery predicated on the X-ray structure of PTP1B-bound lead compound. D-G. Liu, Y. Gao, J. Voigt, Z-Y. Zhang, T. R. Burke Jr.

43. Novel nucleic acid mimic: Nucleoside P-cyanoboranophosphate. J-L. Lin, B. R. Shaw

44. Carboranyl nucleosides for BNCT. W. Ji, W. Tjarks, D. M. Adams, S. Chandra, J. Wang, G. Y. Cosquer, J. Zhuo, Α. Κ. Μ. Anisuzzaman, S. Eriksson, G. H. Morrison, R. F. Barth

45. Antiandrogenic effect of new synthetic steroids. E. A. Bratoeff, M. Cabeza, E. Ramirez, E. Murillo

46. Synthesis and structure-activity studies of novel nonsteroidal androgen receptor ligands. M. E. Van Dort, Y-W. Jung

47. Design, synthesis, and evaluation of a new class of protein kinase C modulators as prostate cancer inhibitors. L. Zhao, L. Qiao, S. Rong, X. Wu, S. Wang, J. Tian, R. I. Glazer, J. Savage, B. Roth, P. Kozikowski

102 JULY 24, 2000 C&EN

48. Aryloxy-substituted /V-arylpiperazinones as dual inhibitors of prenyl-protein transferases. J. M. Bergman, C. Buser-Doepner, J. B. Gibbs, D. C. Heimbrook, H. E. Huber, K. S. Koblan, N. E. Kohl, R. B. Lobell, A. L. Oliff, S. M. Stirdivant, S. L. Graham, G. D. Hartman, T. M. Williams, C. J. Dinsmore

49. Moved to Wednesday morning, Section B.

50. Design and synthesis of transition-state analog inhibitors of thymidine phosphory-lase. T. I. Kalman, L. Lai

51. Design, synthesis, and biological activity of hydroxyindoles as non-ATP competitive pp60c"src tyrosine kinase inhibitors. K. L. Milkiewicz, T. H. Marsilje, R. P. Wood-worth, N. Bifulco Jr., M. Hangauer, D. G. Hangauer

52. Inhibition of Src kinase activity by a series of 4-anilino-3-cyanoquinolines. F. Ye, D. H. Boschelli, D. Wang, B. Wu, N. Zhang, D. W. Powell, A. Wissner, F. Boschelli

53. Design, synthesis, and biological evaluation of novel gastrin-releasing peptide receptor targeting radiopharmaceuticals. T. J. Hoffman, C. J. Smith, G. L. Sieckman, N. K. Owen, W. A. Volkert

54. Development of a series of sulfone retro-hydroxamates for the inhibition of matrix metalloproteinases. J. R. Stacey, C. K. Wada, M. Michaelides, S. K. Davidsen, I. Elmore, P. Marcotte, D. Morgan, D. Albert, J. Bouska, C. Goodfellow, P. Tapang, T. Magoc, R. Garland, Y. Guo, Y. Dai, J. Holms

55. Parallel synthesis and biological activity of anthranilic hydroxamic acid MMP inhibitors. S. L. Kincaid, Y. Z. Bi, J. I. Levin, A. Sung, L. Killar, J. C. Pelletier, J. W. Ellingboe

56. Discovery and SAR of a novel series of Src kinase inhibitors. D. Allen, J. Prescott, P. Pham, M. J. Plunkett, A. A. Virgilio, M. Bui

57. Effects of smaller, nonequivalent branched acyl chains in diacylglycerols (DAGs) on their log Ρ and binding affinity for protein kinase C (PK-C). D. M. Sigano, K. Nacro, N. E. Lewin, P. M. Blumberg, V. E. Marquez

58. Implications of structural perturbation of Zn-finger domain of human DNA polymerase-α by the anticancer drug cis-platin. W. Yang, R. Bose

59. Mechanism of cell growth inhibition by menadione. S. W. Ham, H-l. Kim, J. Y. Bae

60. Nucleic acid-triggered catalytic drug release: A new concept for the design of disease-specific chemotherapeutic agents. Z. Ma, J-S. Taylor

61. Role of phenolic acids in production of methylguanidine, a uremic toxin, from creatinine in isolated rat hepatocytes and in vitro. S. Shahrzad, A. Koyama, K. Aoyagi

62. Steroid sulfamates: Potent inducers of apoptosis. M. P. Leese, L. MacCarthy-Morrogh, A. Purohit, M. J. Reed, B. V. L. Potter

63. Synthesis and in vitro screening of D-ring-modified 2-methoxyestradiol derivatives. G. E. Agoston, T. M. LaVallee, C. Herbstritt, X. H. Zhan, V. S. Pribluda, A. M. Treston, S. J. Green

64. Structurally novel, potent, and selective inhibitors of protein farnesyltransferase. B. Yang, C. B. Thompson, J. Kane, J. P. Lys-sikatos, V. V. Phillips, S. Paillet, K. Tsapa-rikos, R. S. Obach, A. E. Hagen, S. M. Ka-jiji

A Catalysis



• Environmental Ν Materials * Pharmaceuticals & Life

Sciences


65. Structure-activity studies involving alkyl-polyamines with antitumor activity. Z. Wu, Y. Zou, T. Ward, X. Ge, P. M. Woster

66. Surface-modified protein microspheres: Targeting Τ cells and tumors. K. S. Sus-lick, G. S. Kufner

67. Synthesis and biological activity of a novel photoactivatable probe of the antitumor lipid ET-18-OMe. G. Li, R. Bittman, P. Sa-madder, G. Arthur

68. Synthesis and biological activity of bexar-otene metabolites. D. A. Neel, T. A. Grese, K. E. Wells, S. R. Howell, M. A. Shirley, E. H. Ulm

69. Synthesis and evaluation of 4-hydroxybenzylretinone-O-glucuronide. K. L Weiss, R. W. Curley Jr.

70. Synthesis and evaluation of adenosine deaminase-mediated hydrolysis of confor-mationally restricted bicyclo[3.1.0]hexane carbocyclic nucleosides: Efforts to improve the critical hydration step of the base. S. Hernandez, M. C. Nicklaus, P. Russ, J. B. Rodgriguez, K. Habte, H. Ford Jr., V. E. Marquez

71. Synthesis and evaluation of antiproliferative activity of a geldanamycin-herceptin immunoconjugate. M. W. Brechbiel, R. Mandler, E. Dadachova, J. K. Brechbiel, T. A. Waldmann

72. Synthesis and in vivo evaluation of a new bifunctional macrocyclic ligand as a potential chelating agent for bismuth-212/213. K. Garmestani, P. S. Plascjak, M. W. Brechbiel, Z. S. Yao, J. Carrasquillo

73. Synthesis and structure-activity relationship of novel calcium channel blockers. T. N. Heady, D. M. Haverstick, L. S. Gray, T. L. Macdonald

74. Synthesis and study of novel tricyclic inhibitors of poly(ADP-ribose)polymerase. J. G. Tikhe, S. E. Webber, K. A. Maegley, J. Li, R. Almassy, K. E. Zhang, T. J. Boritzki, Z. Hostomsky

75. Synthesis of dendroamide A, a multidrug reversing cyclic hexapeptide derivative from cyanobacteria. Z. Xia, C. D. Smith

76. Synthesis of multisubstituted dihydropyr-roloquinoline derivatives. Z. Li, C. D. Smith

77. Synthesis, biological evaluation, and comparative molecular field analysis (CoMFA) study of P-glycoprotein modulators for multidrug resistance. L. Zhang, R. A. Coburn, M. E. Morris, E. Tseng

78. 2-Amino-4-oxo-6-substituted pyrrolo[2,3-cflpyrimidines as thymidylate synthase inhibitors. A. Gangjee, N. P. Dubash, R. L. Kisliuk

79. Variation of the 6-substitution of 2-amino-4-oxo-5-thioarylpyrrolo[2,3-c/]pyrimidines as inhibitors of thymidylate synthase. A. Gangjee, X. Song, R. L. Kisliuk

80. 7-Methyl trimethoprim analogs as inhibitors of folate-metabolizing enzymes. A. Gangjee, X. Lin, S. F. Queener, R. L. Kisliuk

81. Synthesis and Bergman cyclization of novel 10-membered pyrimidine-enedi-ynes. K. C. Russell, N. Choy, C. Ballestero

82. 1,3-Diketo analogs as HIV integrase inhibitors. G. C. G. Pais, N. Neamati, Y. Pommier, T. R. Burke Jr.

83. Design and synthesis of nonclassical 2,4-diamino-6-substituted pyrrolo[2,3-cflpyrimidines as dihydrofolate reductase inhibitors. A. Gangjee, J. Yu, S. F. Queener

84. Design, synthesis, and SAR of heterocycle-containing human CCR5 antagonists for the treatment of HIV-1 infection. D. Kim, L. Wang, C. G. Caldwell, P. Chen, P. E. Finke, B. Oates, M. MacCoss, S. G. Mills, L. Malkowitz, M. S. Springer, S. L. Gould, J. A. DeMartino, A. Carella, G. Carver, K. Holmes, W. A. Schleif, R. Danzeisen, D. Hazuda, J. Kessler, J. Lineberger, M. Miller, E. A. Emini

85. Synthesis and evaluation of CCR5 antagonists having potent in vitro antiviral activity. C. G. Caldwell, P. Chen, C. P. Dorn Jr., P. E. Finke, L. C. Meurer, B. Oates, M. MacCoss, S. G. Mills, J. A. DeMartino, S. L. Gould, L. Malkowitz, S. J. Siciliano, M. S. Springer, J. Braun, Q. Chen, R. Hajdu, G. Kwei, A. Carella, G. Carver, R. Danzeisen, D. Hazuda, K. Holmes, J. Kessler, J. Lineberger, M. Miller, E. A. Emini, W. A. Schleif

86. Inhibitors of cytokine-induced reactivation of latent HIV-1: The RPR 111423 series. J-C. B. Carry, E. Bacqué, G. Bashiardès, A. Bousseau, Ν. Dereu, J-F. Ferron, C. Nemecek, C. Roy

87. Synthesis and biological evaluation of 5-(piperidin-1-yl)-3-phenyl-pentylsulfones as CCR5 antagonists for the treatment of HIV-1 infection. K. Shankaran, K. F. Donnelly, S. K. Shah, S. G. Mills, M. MacCoss, P. E. Fink, C. G. Caldwell, P. Chen, B. Oates, L. Malkowitz, M. S. Springer, J. DeMartin, M. A. Cascieri, S. L Gould, W. A. Schlief, A. Carella, G. Carver, K. Holmes, E. A. Emini

88. Novel C-terminal carboxylic acid tripep-tide inhibitors of hepatitis C virus serine protease. M. D. Bailey, J. Bordeleau, C. Brochu, D. Cameron, M. Cartier, J-S. Du-ceppe, A-M. Faucher, G. Fazal, E. Ghiro, V. Gorys, N. Goudreau, S. Goulet, C. Grand-Maître, T. Halmos, S. LaPlante, M. Marquis, R. Maurice, M. Poirier, M-A. Poupart, J. Rancourt, B. Simoneau, D. Thibeault, Y. Tsantrizos, D. Wernic, D. Lamarre, M. Llinàs-Brunet

89. Ribose ring conformations: A 3-D descriptor for the estimation of inhibition and catalytic activity of nucleosides and nucleotides. L Mu, M. C. Nicklaus, V. E. Marquez

90. 6-Heteroaryl-4-hydroxy-5,6-dihydropy-rones as inhibitors of HIV-1 protease. S. E. Hagen, J. M. Domagala, C. Gajda, B. D. Tait, Ε. Wise, M. Lovdahl, S. J. Gra-check, J. Saunders, S. VanderRoest, D. Hupe, T. Holler, C. Nouhan

91. 5-Substituted derivatives of the potent antiherpes agent (North)-methanocarba thymine. P. Russ, V. E. Marquez

92. Synthesis and antimalarial activities of 10-substituted deoxoartemisinin. J. Ma, H. Ziffer, D. E. Kyle

93. Design, synthesis, and evaluation of novel phenothiazine derivatives as modulators in chloroquine resistance malaria. J. Guan, L. Gerena, D. E. Kyle, W. K. Mil-hous, A. J. Lin

94. New approach for the preparation of analogs of artemisinin. M. A. Avery, B. Wu

95. Concentrations of CCCP should be optimized to detect the efflux system in the quinolone-susceptible Escherichia coli. Y. Lee, K. Paek

96. Parallel synthesis of inhibitors of NAD synthetase as new antibacterial agents. W. J. Brouillette, S. E. Velu, C. G. Brouil-lette, C-H. Luan, L. J. DeLucas

97. Novel RNA-binding small molecules as potential antibacterial drugs. E. A. Jefferson, S. Arakawa, L. B. Blyn, R. H. Griffey, S. A. Hofstadler, S. A. Osgood, L. M. Risen, K. A. Sannes-Lowery, E. E. Swayze

98. Novel piperidinyloxy-oxazolidinone antimicrobial agents: Effects of position, fluorine substitution, and ring size on in vitro antimicrobial activity. C. M. Boggs, M. A. Weidner-Wells, E. A. Nelson, R. Gold-schmidt, B. Foleno, K. Bush, D. J. Hlasta

99. Inhibition of the extended spectrum class C β-lactamase GC1 with sulfones: Crystal-lographic and SAR studies. G. V. Crich-low, V. R. Doppalapudi, J. D. Buynak, J. R. Knox

100. Antibacterial activity of macrocycles targeting structured RNA. E. A. Jefferson, L. B. Blyn, L. M. Risen, Ε. Ε. Swayze

101. Synthesis and antifungal activity of novel aliphatic and aromatic rings bearing pseudomycin side-chain analogs. S-H. Chen, J. A. Jamison, S. Levy, X. Sun, S. L. Hellman, W. L. Current, M. J. Zweifel, W. W. Turner, M. J. Rodriguez

102. Metabolism of the tricyclic antidepressant drug amoxapine by Cunninghamella elegans. J. D. Moody, T. M. Heinze, D. Zhang, C. E. Cerniglia

103. Designing therapeutics based on molecular recognition of a Candida albicans group I intron. M. D. Disney, D. H. Turner

104. Synthesis, SAR, and biological activities of potent and selective group II mGluR agonists, novel 2-amino-6-fluorobi-cyclo[3.1.0]hexane-2,6-dicarboxylic acid derivatives. A. Nakazato, T. Kumagai, K. Sakagami, R. Yoshikawa, Y. Suzuki, S. Chaki, S. Okuyama


105. Synthesis and evaluation of C3- and C4-substituted 2-aminobicyclo[3.1.0]-hexane-2,6-dicarboxylates as group II metabotropic glutamate receptors. S. M. Massey, M. J. Valli, C. Dominguez, B. G. Johnson, S. L. Andis, R. A. Wright, D. D. Schoepp, J. Monn

106. Design and synthesis of a novel series of C4-substituted 2-aminobicyclo-[3.1.0]hexane-2,6-dicarboxylates as potent and selective group II metabotropic glutamate receptor agonists. M. J. Valli, S. M. Massey, R. A. Wright, B. G. Johnson, S. L. Andis, D. D. Schoepp, J. A. Monn

107. Synthesis of N' -substituted analogs of (2fl,4fl)-4-aminopyrrolidine-2,4-dicarboxylic acid as group II metabotropic glutamate receptor selective agonists and antagonists. J. K. Mukhopadhyaya, J. T. Wroblewski, A. P. Kozikowski

108. Novel aromatic substituted analogs of 4-[2-(diphenylmethoxy)-ethyl]-1-[benzyl]-piperidine: Effect of steric and electronic factors on activity. A. K. Dutta, M. C. Davis, M. E. A. Reith

109. Synthesis and pharmacology of bis-3-arylpropylamines. M. D. Jones, M. D. Chesnut, G. Deaciuc, L. P. Dwoskin, P. A. Crooks

110. Syntheses of high-affinity ligands for serotonin transporter: 6-Nitroquipazine derivatives. D. Y. Chi, B. S. Lee, K. C. Lee, K. J. Jung, C. Jin

111. Practical synthesis of the serotonin 5-HT2A receptor antagonist MDL 100907 and MDL 105725, its precursor for [11C]la-beled PET ligands, based on optical resolution via formation of diastereomeric salts. T. Ullrich, K. C. Rice

112. Activity of the psychotropic phenethyl-amine homologs 2C-N and DON at cloned 5-HT2A and 5-HT2C receptors expressed in Xenopus laevis oocytes. B. K. Cassels, P. R. Moya, C. Acufia-Castillo, J. P. Huidobro-Toro, P. Sâez

113. Novel fluorinated serotonin transporter imaging agents. S. Oya, S-R. Choi, C. Hou, M-P. Kung, C-Y. Shiue, H. F. Kung

114. Benzylidene ketal derivatives as M2

muscarinic receptor antagonists. C. D. Boyle, S. Chackalamannil, L-Y. Chen, S. Dugar, P. Pushpavanam, W. Billard, H. Binch III, G. Crosby, V. L. Coffin, M. Cohen-Williams, R. A. Duffy, V. Ruperto, L. A. Taylor, R. D. McQuade, J. E. Lachowicz

115. Novel iodinated 7-benzamido-1-(4-methyl-1-piperazinyl)-naphthalenes as potential 5-HT1A receptor imaging agents. S. Chumpradit, M-P. Kung, M. Mu, M. Siciliano, H. F. Kung

116. Nonpeptide CRF antagonists: Hydroxy-and alkoxy-alkyl pyrimidines and triazines. R. G. Wilde, J. D. Klaczkiewicz, K. L. Carter, E. L. Scholfield, L. W. Fitzgerald, R. E. Olson, F. W. Hobbs, A. J. Cocuzza, D. R. Chidester

117. Novel trisubstituted oxazole derivatives as 5-HT1A receptor ligands. L. P. Green-blatt, F. C. Nelson, M. G. Kelly, D. L. Smith, L. E. Schechter

JULY 24, 2000 C&EN 1 0 3

MEDIfl"ECHNICAL PROGRAM

118. In vitro activity of chiral analogs of the serotonin 5-HT1A silent antagonist WAY-100635. S. Lenicek, M. G. Kelly, W. E. Childers, L. Greenblatt, A. Sabb, G. Zhang, Y. Palmer, E. Podlesny, R. Vogel, D. L. Smith, L E. Schechter

119. Design and synthesis of potent and selective 5-HT1A receptor ligands. G. Zhang, Y. Palmer, M. G. Kelly, D. L. Smith, L. E. Schechter

120. In vitro activity of indole piperazine analogs of the serotonin 5-HT1A silent antagonist WAY-100635. W. E. Childers Jr., M. G. Kelly, M. Ashwell, C. Brightwell, D. Conlon, A. Fensome, R. Shepherd, A. White, N. Evans, D. L. Smith, L. E. Schechter

121. Design and synthesis of new nonpep-tide NK1 antagonists by chemical modification of FK888. T. Manabe, H. Miyake, S. Shigenaga, K. Murano, H. Matsuda, M. Karino, T. Fujii

122. Design and synthesis of nonpeptide neurokinin-1 receptor-selective photoaffin-ity labels. J. P. Sleckman, S-J. Rhee, N. D. Boyd, V. L. Korlipara

123. Retro-purine CRF antagonists: SAR refinement of the aryl and side-chain groups. R. G. Wilde, K. L. Carter, J. D. Klacz-kiewicz, P. J. Gilligan, R. E. Olson, W. E. Frietze, W. H. Buckner, J. P. Beck, M. A. Curry, A. G. Arvanitis, A. J. Mical, D. W. Robertson, G. L Trainor, L. W. Fitzgerald, J. F. McElroy, S. P. Arneric

124. CRFT antagonists via Suzuki and Ne-gishi couplings of 3-pyridyl boronic acids or bromides with chloronitropyridines. A. G. Arvanitis, C. R. Arnold III, L. W. Fitzgerald, W. E. Frietze, R. E. Olson, P. J. Gilligan, G. L. Trainor, D. W. Robertson

125. Pyrazolo-[1,5-a]-1,3,5-triazine CRF receptor antagonists: Synthesis and structure-activity relationships of 8-(sub-stituted phenyl) analogs. P. J. Gilligan, L. He, T. Clarke, L. Fitzgerald, J. McElroy, S. Grossman, S. Arneric, P. Tivitmahaisoon

126. Pyrazolo-[1,5-a]-1,3,5-triazine CRF receptor antagonists: Synthesis and structure-activity relationships of 8-het-eroaryl analogs. L He, P. J. Gilligan, T. Clarke, L. Fitzgerald, J. McElroy, S. Grossman, S. Arneric

127. trans-1 -[2-(Phenylcyclopropyl)methyl]-4-aryl-piperazines: Mixed dopamine D2/D4 receptor antagonists as potential antipsychotic agents. K. Hodgetts, X. Zhang, S. Rachwal, H. Zhao, J. Wasley, A. Thurkauf

128. Anilide derivatives of an 8-phe-nylxanthine carboxylic congener (XCC) are highly potent and selective antagonists at human A2B adenosine receptors. Y-C. Kim, X-D. Ji, J. Linden, K. A. Jacobson

129. Design and synthesis of the novel and orally active dual ΝΚΊ and NK2 antagonist Sch 205528. N-Y. Shih, M. Albanese, R. Aslanian, D. Blythin, X. Chen, L. Duguma, D. Gu, R. Friary, J. Lee, L. Lin, P. Mangi-aracina, K. McCormick, R. Mohrbutter, M. W. Mutahi, J. Piwinski, G. Reichard, J. Schwerdt, H-J. Shue, J. Spitler, P. Ting, J. Wong, S-C. Wong, J. Anthes, R. Chapman, J. Hey, W. Kreutner, C. Rizzo, N. Curruthers, C. Alaimo

130. Novel peptidomimetic template for the inhibition of p56lck SH2 domain: Design, synthesis, and SAR. R. Sharma, J. Proud-foot, R. Betageri, M. Cardozo, T. Gilmore, E. R. Hickey, S. Jakes, A. Kabcenell, T. Kirrane, S. Lukas, N. Moss, U. Patel, Y. Mehran, S. Glynn, P. L. Beaulieu, D. Cameron, J-M. Ferland, J. Gauthier, J. Gillard, V. Gorys, M. Poirier, J. Rancourt, D. Wer-nic, M. Llinas-Brunet

131. Application of computer screening tools to investigate protein-protein interaction: Database-mining studies on the tyrosine kinase p56lck SH2 domain. N. Huang, l-J. Chen, J. Hayashi, A. D. MacKerell Jr.

132. Discovery of a novel binding epitope for the oc4 integrin based on sequence homology between VCAM-1 and the third heavy chain complementarity-determining region of anti-a4 antibodies. M. A. Pleiss, E. D. Thorsett, T. Yednock

133. Development of CT757: A potent and highly selective small molecule inhibitor of VLA4. C. M. Semko, D. B. Dressen, F. S. Grant, A. W. Konradi, M. A. Pleiss, E. D. Thorsett, S. B. Freedman, E. J. Holsztyn-ska, K. P. Quinn, T. Yednock

134. CT737: A potent and highly selective non-C-terminal L-phenylalanine inhibitor of VLA4. E. D. Thorsett, M. S. Dappen, D. B. Dressen, J. W. Ellingboe, F. S. Grant, M. Jacobson, S. L. Kincaid, A. W. Konradi, A. Kreft, L. J. Lombarde C. W. Mann, D. Nunn, M. A. Pleiss, J. E. Sabalski, K. Sac-chi, D. Sarantakis, C. M. Semko

135. CT747: A very potent and highly selective small-molecule inhibitor of VLA-4 that is metabolically stable. M. S. Dappen, D. B. Dressen, F. S. Grant, A. W. Konradi, M. A. Pleiss, C. M. Semko, E. D. Thorsett, S. B. Freedman, E. J. Holsztynska, K. P. Quinn, S. Ashwell, A. L. Banker, R. B. Baudy, J. J. Bicksler, J. Giberson, P. D. Leeson, L. J. Lombardo, D. Sarantakis

136. Acylated p-amino-L-phenylalanines with VLA-4/VCAM-1 inhibitory activity. D. Sarantakis, R. B. Baudy, J. J. Bicksler, C. Cannon, D. B. Dressen, J. Giberson, F. F. Grant, A. W. Konradi, A. Kreft, D. Kubrak, P. D. Leeson, L. J. Lombardo, C. W. Mann, M. A. Pleiss, J. Sze, E. D. Thorsett, C. Vandevert, C. Yang

137. VLA-4/VCAM-1 inhibitors: Dipeptide p-amino-L-phenylalanine amides. D. Sarantakis, J. J. Bicksler, C. Cannon, D. B. Dressen, J. Giberson, F. F. Grant, A. W. Konradi, A. Kreft, P. D. Leeson, L. J. Lombardo, C. W. Mann, M. A. Pleiss, J. E. Sabalski, E. D. Thorsett, C. Vandevert, C. Yang

138. Tos-Pro-Phe-OH-based VLA-4 antagonists: p-Amino Phe variants containing urea and amino groups. S. Ashwell, A. L. Banker, J. J. Bicksler, D. B. Dressen, C. Cannon, J. Giberson, F. F. Grant, A. W. Konradi, P. D. Leeson, L. J. Lombardo, M. A. Pleiss, D. Sarantakis, T. Thompson, E. D. Thorsett, C. Vandevert, C. Yang

139. Tos-Pro-Phe-OH-based VLA-4 antagonists: p-Amino Phe variants containing thiourea and sulfonamide groups. D. Kubrak, C. Cannon, J. Giberson, P. D. Leeson, C. W. Mann, C. Vandevert, C. Yang, A. Kreft

140. Pharmacophore model for VLA-4 antagonist. Q. Chen, J. Li, D. Maxwell, G. Holland, R. Dixon, T. You

141. Novel approach for modeling metals in enzyme active sites: Force field model for calcium in the active site of phospholipase A2 and application to the design of new inhibitors. J. M. Goodman, S. P. Roday

142. Potential α4β7 integrin-mediated cell adhesion inhibitors: Synthesis and evaluation of novel pyrazolones derivatives and a study of their stability. A-C. Callier-Dublanchet, S. Biais, L. Philippe, C. Reignault, J. Hamon, M-L. Prunet

143. Pyrazines/quinoxalines as IL-8 receptor antagonists. K. Carson, R. Glynn, Q. Ye, J. R. Luly, J. E. Low, D. Heilig, W. Yang, S. Qin

144. Structure-activity relationship of 2-amino-3-heteroaryl-quinoxalines as potent, nonpeptide interleukine-8-receptor antagonists. J. J . Li, W-S. Yue, Β. Κ. Trivedi, S. R. Miller, D. T. Connor, B. D. Roth, J. E. Low, D. J. Heilig, W. Yang, S. Qin, S. Hunt

145. Selective inhibition of ICAM-1 and E-selectin expression in human endothelial cells: Aryl modification of 4-aryloxy thieno[2,3-c]pyridines. G-D. Zhu, D. Arendsen, I. Gunawardana, S. Boyd, A. Stewart, D. Fry, B. Cool, L. Kifle, P. Tobin, Κ. Marsh, A. Kempf-Grote, B. Surber, D. Spracklin, P. Kilgannon, S. Wong, M. Gallatin, G. Okasinski

146. Selective inhibition of ICAM-1 and E-selectin expression in human endothelial cells: Replacement of a labile amide at the 2-position of a series of 4-aryloxythieno[2,3,-c]pyridines. J. K. Lynch, N. Mort, J. Freeman, D. Stout, M. Staeger, I. Gunawardana, G-D. Zhu, S. Boyd, L Melcher, D. Fry, B. Cool, L. Kifle, P. Tobin, A. Kempf-Grote, K. Marsh, P. Kilgannon, S. Wong, M. Gallatin, P. Hoffman, G. Okasinski

147. Synthesis and evaluation of 6-(acylamino)-W-[(ethylsulfonyl)oxy]phthalimide HLE inhibitors. J. E. Kerrigan, L. M. Vagnoni, M. Gronostaj

148. Synthesis and SAR of p38 kinase inhibitors from the urea class. J. Dumas, A. Bhargava, M. Bobko, C. Brennan, H. Hatoum-Mokdad, T. J. Housley, J. S. Johnson, J. Kingery-Wood, W. Lee, T. B. Lowinger, M. K. Monahan, R. Natero, G. E. Ranges, A. M. Redman, B. Riedl, R. Schoenleber, W. J. Scott, A. Shrikhande, R. Sibley, R. A. Smith, T. Turner, S. M. Wilhelm

149. Pharmacological characterization of pyrazolyl urea p38 kinase inhibitors. G. E. Ranges, E. Bortolon, T. Chau, B. R. Dixon, A. Bhargava, J. Dumas, C. Gianpaolo-Ostravage, H. Hatoum-Mokdad, T. J. Housley, A. Shrikhande, W. J. Scott, R. Sibley, J. Wakefield, S. M. Wilhelm

150. Synthetic LPS receptor agonists with unique structure. L. D. Hawkins, P. D. McGuinness, W. Gavin, J. Chow, F. Gusovsky, S. T. Ishizaka, M. Mullarkey, M. Przetak, J. Rose, D. P. Rossignol, H. Yang, H. Zhang

151. Novel synthetic oleanane and ursane triterpenoids with various enone functionalities in ring A as inhibitors of nitric oxide production in mouse macrophages. T. Honda, G. W. Gribble, N. Suh, H. J. Fin-lay, B. V. Rounds, L. Bore, F. G. Favaloro Jr., Y. Wang, M. B. Sporn

152. Novel synthetic oleanane and ursane triterpenoids with ring A and C modifications: A series of highly active inhibitors of nitric oxide production in mouse macrophages. T. Honda, G. W. Gribble, B. V. Rounds, N. Suh, H. J. Finlay, L. Bore, F. G. Favaloro Jr., Y. Wang, M. B. Sporn

MONDAY MORNING


General Oral Papers III D. A. Trainor, Organizer 8:30—153. CV1013, a novel, potent, and ir

reversible pan-caspase inhibitor with activity in animal models of hepatitis, stroke, and myocardial infarction. S. X. Cai, Y. Wang, J-C. Huang, J. Guastella, Y. Wu, D. Xue, J. Drewe

8:50—154. GPI 6150, a novel PARP inhibitor, is cardioprotective and neuroprotective in rat models of ischemia. J-H. Li, V. J. Kalish, S. Lautar, J. Zhang

9:10—155. New antioxidant product derived from Mangifera indica L. A. J. N. Selles, R. Capote-Hernandez, J. Aguero-Aguero, G. Garr ido-Garrido, R. Delgado-Hernandez, G. Martinez-Sanchez, O. Leon-Negrin, M. A. Morales-Segura

9:30—156. lmidazo[4,5-6] and imidazo[4,5-c]pyridines as corticotropin releasing factor ligands. A. G. Arvanitis, J. T. Rescini-to, C. R. Arnold III, R. G. Wilde, P. J. Gilligan, R. E. Olson, W. E. Frietze, D. W. Robertson, J. H. Sun, J-S. Yan, T. E. Christos, G. A. Cain, C. A. Teleha, P. R. Hartig, L. W. Fitzgerald, J. McElroy, S. Grossman, R. Zaczek, S. P. Arneric

9:50—157. Synthesis and biological activity of phosphonate-, phosphinate-, and hydroxamate-based inhibitors of glutamate carboxypeptidase II. T. Tsukamoto, Y-S. Ko, W. Li, Q. Liu, X-C. M. Lu, K. M. Maclin, B. S. Slusher, D. Stoermer, K. L. Tays, D. Vitharana, K. M. Wozniak, P. F. Jackson

10:10—158. Synthesis of substituted 2-acyl-3-aryl-7-azabicyclo[3.2.2]nonanes and their 3-D QSAR-CoMFA at dopamine and serotonin reuptake sites. M. E. Araby, H. M. L Davies, L. M. Hodges, P. S. Hammond, S. R. Childers

10:30—159. Targeting the cerebrovascular neutral amino acid transporter (LAT1) for brain drug delivery. D. M. Killian, P. J. Chikhale


10:50—160. Utility of a "dual-labeled E-/Z-RR-IQNP cocktail" as a novel in vivo tool for the independent evaluation of cerebral muscarinic receptor M1 and M2 subtype density and viability in a rat. D. W. McPherson, F. F. Knapp Jr.

11:10—161. Unique structure-activity relationship for 4-isoxazolyl-1,4-dihydropyr-idines. G. W. Zamponi, S. C. Stotz, R. J. Staples, T. A. Rogers, N. R. Natale

11:30—162. Benzoxazine isoquinoline as m4 selective muscarinic receptor antagonists. T. M. Boehme, C. E. Augelli-Szafran, D. W. Moreland, R. D. Schwarz


* Integrins: Past, Present, and Future P. K. Jadhav, P. G. Ruminski, B. K. Trivedi, P. Y. S. Lam, Organizers P. K. Jadhav, P. G. Ruminski, Β. Κ. Trivedi, Presiding 9:00—Introductory Remarks. 9:05—163. Convergent structure-activity re

lationships of allbp3 and α4β1 inhibitors suggest binding-site similarity: Privileged structure scaffolds in integrin medicinal chemistry? S. Adams

9:40—164. Roxifiban: Phase II experience with a second-generation oral I lb/I I la receptor blockade. R. N. Daly

10:15—165. Road to elarofiban (RWJ-53308): Discovery of a potent, orally active, GP llb/llla antagonist starting with the fibrinogen γ chain. B. M. Maryanoff, W. J. Hoekstra, P. Andrade-Gordon, B. P. Dam-iano

10:50—Introductory Remarks. 10:55—166. Design and synthesis of potent

ανβ3 antagonists: Discovery of 5,6,7,8-tetrahydro[1,8]naphthyridine as a lipophilic, moderately basic guanidine replacement. M. E. Duggan, L. T. Duong, C. Fernandez-Metzler, J. E. Fisher, M. A. Gentile, L. Gorham, G. D. Hartman, D. B. Kimmel, C-T. Leu, L. Libby, J. J. Lynch Jr., R. S. Meissner, K. Merkle, R. Nagy, T. Prueksaritanont, G. A. Rodan, S. B. Ro-dan, G. Stump, A. Wallace, G. A. We-solowski, A. E. Zartman

MONDAY AFTERNOON


General Oral Papers D. Chen, Presiding 1:30—167. Alkylidene hydrazides as potent

human glucagon receptor antagonists: Further structure-activity relationships and in vivo studies. P. Madsen, A. Ling, J. Lau, C. K. Sams, L. B. Knudsen, U. G. Sidelmann, L. Ynddal, C. L. Brand, M. Plewe, D. Murphy, M. Teng, L. Truesdale, D. Kiel, J. May, A. Kuki, S. Shi, J. Feng, M. D. Johnson, K. A. Teston, K. Anderes, V. Gregor

1:50—168. Glucagon receptor antagonists based on hydroxybenzoylhydrazones. A. Ling, M. Plewe, J. Feng, J. Gonzalez, V. Gregor, A. Kuki, S. Shi, D. Murphy, K. Teston, J. Porter, L. Truesdale, D. Kiel, J. May, J. Lakis, K. Anderes, E. latsimirska-ia, A. Polinsky, P. Madsen, C. K. Sams, U. G. Sidelmann, L. B. Knudsen, C. L. Brand, J. Lau

2:10—169. Identification of a novel glucagon receptor antagonist. A. L. Ling, Y. Hong, J. Gonzalez, V. Gregor, A. Kuki, S. Shi, K. Teston, J. Porter, D. Kiel, J. Lakis, K. Anderes, J. May, A. Polinsky

104 JULY 24, 2000 C&EN

2:30—170. Discovery of a novel, selective, and orally bioavailable class of aggre-canase inhibitors. W. Yao, M. Chao, G. Reddy, E. Shi, E. C. Arner, M. A. Pratta, M. B. Covington, M. D. Tortorella, R. L. Magolda, Z. R. Wasserman, R. R. Wexler, C. P. Decicco

2:50—171. Discovery of novel p-arylthio cin-namides as antagonists of LFA-1/ICAM-1 interaction: Identification of an additional binding site based on an anilino diaryl sulfide lead. G. Liu, J. T. Link, Z. Pei, T. W. von Geldern, E. B. Reilly, S. Leitza, B. Nguyen, K. C. Marsh, G. F. Okasinski

3:10—172. Nitrogen-containing bisphospho-nates: Mode of action and novel applications. M. B. Martin, W. D. Arnold, E. Old-field

3:30—173. Synthesis and evaluation of novel ΛΑ-hydroxy formamide inhibitors of tumor necrosis factor α converting enzyme. M. Rabinowitz, J. D. Becherer, J. Conway, M. Moss, D. Bubascz, D. McDougald, R. Andrews

3:50—174. Sigmatropic reactions of the aziri-dinyl semiquinone species: Why aziridinyl benzoquinones are metabolically more stable than aziridinyl indoloquinones. C. Xing, Ε. Β. Skibo


• Integrins: Past, Present, and Future B. K. Trivedi, P. Y. S. Lam, P. G. Ruminski, P. K. Jadhav, Organizers 1:30—175. Discovery of orally active

vitronectin receptor (ανβ3) antagonists. D. A. Heerding, W. H. Miller, R. Willette, T-L. Yue, M. Lark, G. Stroup, A. Badger, E. Ohlstein, M. Gowen, W. F. Huffman

2:05—176. Discovery of potent ανβ3 antagonists. P. K. Jadhav

2:40—177. Identification and characterization of antagonists of the LFA-1/ICAM-1 protein-protein interaction as novel immunomodulatory agents. T. R. Gadek, J. C. Marsters Jr., M. Stanley, S. C. Bodary, B. Paulsen, M. Reynolds, D. J. Burdick

3:15—Introductory Remarks. Β. Κ. Trivedi 3:20—178. High-affinity antagonists of the

α4β1 integrin. D. M. Scott, W-C. Lee, R. C. Petter, S. Adams, E. Y-S. Lin, M. Cornebise, D. Leone, A. Gill, B. Pepinsky, L. L. Chen, D. Lepage, A. Jayaraj

3:55—179. Novel urea derivatives that are highly potent VLA-4 antagonists. J. M. Kassir, V. O. Grabbe, R. J. Biediger, I. L. Scott, R. V. Market, B. G. Raju, S. Lin, B. Dupre, T. P. Kogan, Q. Chan, T. Yu, G. W. Holland, D. C. Maxwell, P. Vanderslice, H. West, E. R. Decker, A. Bourgoyne, R. Til-ton, C. L. Munsch, R. A. F. Dixon

TUESDAY MORNING


Graduate Fellowship Award Symposium D. A. Trainor, Organizer 8:30—180. Assembly of complexes contain

ing dimeric transcription factors and DNA: DNA binding prior to dimerization. J. J. Kohler, A. Schepartz

• Catalysis



• Environmental

M Materials ir Pharmaceuticals & Life

Sciences


9:00—181. Inhibitors of lipid A biosynthesis: A new target for antimicrobial therapy. M. Pirrung, L. N. Tumey

9:30—182. NMR and molecular modeling studies on the ψ-conotoxins, noncompetitive antagonists of the nicotinic acetylcholine receptor. R. M. Van Wagoner, Β. Μ. Olivera, C. M. Ireland

10:00—183. Stopped-flow kinetic analysis of the ligand-induced disorder-to-order transition in glutathione S-transferase A1-1. B. S. Nieslanik, C. Ibarra, W. M. Atkins

10:30—184. Antitumor agent ecteinascidin 743 (Et 743): Characterization of its cova-lent DNA adducts and biological implications. M. Zewail-Foote, L. H. Hurley


* P2 Nucleotide Receptors K. A. Jacobson, Organizer M. Williams, K. A. Jacobson, Presiding 8:30—Introductory Remarks. 8:35—185. P2 receptors as drug discovery

targets. M. Williams 9:15—186. Molecular aspects of P2X recep

tor function. M. M. Voigt, G. Torres, J. A. Cox, T. M. Egan

9:55—187. Probing the binding sites of P2X and P2Y receptors: Selective antagonists and receptor structure. K. A. Jacobson, B. F. King, G. Bumstock, T. K. Harden, J. L. Boyer

10:35—188. Synthesis and SAR of P2Y2 receptor agonists. S. R. Shaver, W. Pender-gast, B. R. Yerxa, J. G. Douglass III, R. W. Dougherty, A. C. Jones, J. L. Rideout

11:15—189. P recep to r antagonists: Novel inhibitors of platelet aggregation. P. A. Willis, R. V. Bonnert, R. C. Brown, D. Cox, S. Guile, R. G. Humphries, A. H. In-gall, F. Ince, N. D. Kindon, G. Pairaudeau, B. Springthorpe


TUESDAY AFTERNOON Convention Center Room 30

* Chemoprevention P. Woster, Organizer, Presiding 12:00—Introductory Remarks. 12:05—190. Chemoprevention strategies for

liver cancer using biomarker endpoints. J. D. Groopman, T. W. Kensler

12:45—191. Exploratory studies on cancer chemoprevention using the natural hormone 1<x,25-dihydroxyvitamin D3, the phy-tochemical sulphoraphane, and especially its synthetic analogs. G. H. Posner

1:25—192. Use of RXR-selective ligands in chemoprevention and chemotherapy of carcinomas. P-Y. Michellys, C. Mapes, W. W. Lamph, R. Bissonnette, R. J. Ardecky, J. Tyhonas, M. F. Boehm

2:05—193. Selenium supplementation and cancer chemoprevention. J. C. Roberts, M. D. Short, B. H. Wilmore, P. K. Domin-ick, P. B. Cassidy

2:45—194. Synthesis and antitumor activity of 1,25(OH)2-23-ene-26,27F6-19-nor-20-cyclopropyl D3, Ro 27-0574. M. R. Uskok-ovic', P. Manchand, M. Koike, K. Koshizu-ka, H. Kawabata, R. Yang, H. Taub, J. Said, N. Tsuruoka, H. P. Koeffler

WEDNESDAY MORNING


* Dual-Acting Drugs R. B. Silverman, Organizer, Presiding 9:00—Introductory Remarks. 9:05—195. Discovery of spiroindolinopiperi-

dine derivatives as potent, orally active dual antagonists of NK1 and NK2 receptors. S. K. Shah, J. J. Hale, M. MacCoss, C. P. Dorn Jr., H. Qi, D. J. Miller, P. E. Finke, L. C. Meurer, M. A. Cascieri, S. Sa-dowski, J. M. Metzger, G. J. Eiermann, M. J. Forrest, D. E. Maclntyre, S. G. Mills

9:50—196. Ligands with dual affinity for 5-HT 1A and 5-HT reuptake receptors for the treatment of depression. M. B. van Niel

10:35—197. PPAR agonists for metabolic diseases. T. M. Willson, J. L Collins, B. R. Henke, P. J. Brown, M. H. Lambert, H. E. Xu, J. A. Oplinger

11:20—198. Viozan: The discovery of a novel dual D2-receptor and p2-adrenoceptor agonist for the treatment of the symptoms of COPD. F. Ince, R. V. Bonnert, R. C. Brown, P. A. Cage, D. R. Cheshire, J. Dixon, A. Davis, D. R. Flower, N. P. Gens-mantel, C. Hallam, S. T. Harper, A. Black-ham, I. G. Dougall, D. M. Jackson, K. C. McKechnie, A. Young

Section Β Convention Center Exhibit Hall Β

Poster Session II D. A. Trainor, Organizer 9:00-11:00 49. Design and synthesis of conformationally

restricted 5-oxo-ETE congeners for prostate cancer therapy. A. Morin Deveau, J. Ghosh, C. E. Myers Jr., T. L. Macdonald

199. Synthesis of oximes as antidotes to or-ganophosphorus poisoning. S. T. Hobson, T. L. Nohe

200. Synthesis and in vivo evaluation of chiral bicyclic proline FKBP12 ligands. D. Limburg, J-H. Li, D. Ross, P. Howorth, D. Spicer, Y. Chen, H. Guo, J. Steiner, G. Hamilton

201. Synthesis, separation, and biological evaluation of the enantiomers of 10,10-dimethylhuperzine A. R. Vairagoundar, P. R. C. Kalahasthi, H. S. Ved, B. P. Doctor, A. P. Kozikowski

202. Sequence dependence in the oxidative damage to polypeptides. C. M. Yang, Q. W.Han

203. Withdrawn. 204. Sequence similarity between APP and

prion protein may suggest a common mechanism in the diseases. C. M. Yang

205. Sequence dependence in the free-radical oxidative damage to polypeptides. C. M. Yang

206. Synthesis and biological activity of phosphinic acid-based NAALADase inhibitors. W. Li, D. Vitharana, Y-S. Ko, T. Tsukamoto, K. Tays, K. Maclin, X. M. Lu, K. Wozniak, B. S. Slusher, P. F. Jackson

207. Bioisosteric replacement and the development of quinuclidine-based ligands for neuronal nicotinic receptors. M. Zhang, C. Zhao, C. Hightower, W. S. Caldwell, M. Bencherif, K. Sadieva, J. L. Gabriel, A. Cowan, D. J. Canney

208. Cytisine derivatives as novel ligands of neuronal nicotinic acetylcholine receptors. Β. Κ. Cassels, A. C. Valdivia, D. L. Guer-ra, L. Houlihan, I. Bermudez

209. Novel entry into intermediates of tro-pane alkaloids by ring-opening reaction of tropinone. Q-H. Zheng, K. Mulholland

210. Strategies for delivery of an acidic amino acid AMPA antagonist to the brain: Continued pursuit of latentiated a-keto acid prodrugs. D. Liu, S. N. Danthi, R. A. Hill


211. N-Substituted 2-amino-4H-pyrido[3,2-e]-1,3-thiazin-4-ones: Structurally novel and orally active AMPA receptor antagonists. H. Inami, J-l. Shishikura, T. Yasunaga, M. Hirano, T. Kimura, K. Ohno, H. Yamashita, T. Yamaguchi, S. Sakamoto, S-l. Tsukamoto

212. Novel sulfur-containing dihydrophthala-zine antagonists of AMPA receptors. B. Li, X-F. Pei, M. Maccecchini

213. yv-Arylalkylpiperidines: High-affinity ς-1 and ς-2 receptor ligands. D. Y. Maeda, W. Williams, W. E. Kim, W. D. Bowen, A. Coop

214. Ligands for characterizing PCP binding sites on the Ν Μ DA receptor complex. A. Adejare, A. Ogunbadeniyi, W. Bowen, M. Mattson

215. Tricyclic indole-2-carboxylic acids, highly in vivo active antagonists for the glycine binding site of the NMDA receptor. S. Katayama, N. Ae, H. Tanaka, R. Nagata

216. Evaluation of (1,4)-2-imino-oxazepines, thiazepines, and diazepines as inhibitors of nitric oxide synthase (NOS) enzymes. K. Shankaran, K. L. Donneley, S. K. Shah, C. G. Caldwell, P. Chen, W. K. Hag-mann, J. L. Humes, S. G. Pacholok, S. K. Grant, M. MacCoss

217. 2-Anilino-6-substituted purine derivatives: Synthesis and activity at the GABAa/ BZR receptor. K. S. Currie, P. Albaugh, P. Chen

218. Design and synthesis of phenylalanine derivatives as brain-targeted therapeutics. P-P. Lu, X. Kong

219. Syntheses and neuroprotective effects of aspirin analogs. S-H. Yoon, H-S. Moon, S-D. Kim, S-l. Nam, B. Gwag

220. 3-Piperazinyl-3,4-dihydro-2(1 H)-quinolinone derivatives as a novel series of D2/D4 receptor antagonists. H. Zhao, A. Thurkauf

221. Synthesis and biodistribution studies of novel Tc99m-labeled D4 dopamine receptor imaging. B. Ma, G. Li, P. Kanter, Z. Grossman, R. K. Pandey

222. Discovery, molecular modeling, and structure-act iv i ty relat ionships of 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, a novel dopamine transporter inhibitor. S. Saka-muri, I. J. Enyedy, A. P. Kozikowski, J. Mamczarz, B. C. Bandyopadhyay, O. Des-chaux, S. R. Telia, W. A. Zaman, K. M. Johnson, S. Wang

223. Discovery of potent and novel dopamine transporter inhibitors through 3-D-data-base pharmacophore searching. I. J. Enyedy, S. Sakamuri, A. P. Kozikowsky, J. Mamczarz, B. C. Bandyopadhyay, S. R. Telia, W. A. Zaman, K. M. Johnson, S. Wang

224. Design, synthesis, and biological evaluation of novel constrained tropane analogs. A. Hoepping, A. P. Kozikowski, K. M. Johnson

225. Molecular modeling studies of the D3 receptor and discovery of new D3 ligands through 3-D-database pharmacophore searching. J. Varady, S. Wang

226. Syntheses of novel cocaine antagonists: Examination of binding and uptake at the dopamine transporter. A. Adejare, M. S. Day Jr., M. S. Ahmed, P. W. Brown, V. Lau

227. Design, synthesis, and evaluation of 4-[2-(diphenylmethoxy)-ethyl]-1-[(phenyl)-methyl]piperidine analogs for the dopamine transporter. A. Dutta, X-S. Fei, P. Beardsley, M. Reith

228. Combinatorial search for enzymelike activity. J. Yu, Y. Zhao, M. Holterman, D. Venton

229. Design and synthesis of conformationally restricted analogs to probe the cocaine binding sites. M. Appell, T. Choi, W. Xu, L. Bauer, W. J. Dunn III

230. Ab initio MO calculation studies of the isomerization of aryltropane cocaine analogs. Q-H. Zheng, D. H. Robertson

231. Ab initio MO calculation studies for a novel entry to phenyltropane analogs of cocaine. Q-H. Zheng, D. H. Robertson

232. Effect of substitutions in the "message" sequence on the opioid activity of cyclic dynorphin A analogs. B. S. Vig, J. V. Al-drich, T. F. Murray

233. r-Phthalaldehydecarboxamidonaltrin-dole (PNTI): A potent, selective nonpeptid-ic δ opioid receptor agonist. B. Le Bour-donnec, R. El Kouhen, P. Y. Law, H. L. Loh, P. S. Portoghese

JULY 24, 2000 C&EN 105

MEDI/NUCL/TECHNICAL PROGRAM

234. Stereospecific synthesis of (2S)-2-methyl-3-(2 ' ,6 ' -dimethyl-4 ' -hydroxyphenyl)-propionic acid (Dhb) and its incorporation into an opioid peptide. Y. Lu, G. Weltrowska, C. Lemieux, N. N. Chung, P. W. Schiller

235. Synthesis and opioid receptor binding profiles of pyrimidothienoepoxymorphi-nans. S. Ananthan, S. K. Saini, P. Davis, F. Porreca, C. M. Dersch, R. B. Rothman

236. Development of analogs of /V-phenethyl-phenylmorphan as potential narcotic antagonists. S. A. Adah, A. E. Jacobson, K. C. Rice, C. M. Dersch, R. Horel, R. B. Rothman

237. Solid-phase synthesis and pharmacological evaluation of labeled TIP(P) analogs. V. Kumar, T. F. Murray, J. V. Aldrich

238. Synthesis and pharmacological activity of orphanin FQ(1-13)NH2 analogs. L. Charoenchai, H. Y. Wang, J. B. Wang, J. V. Aldrich

239. Gabapentin SAR: Toward novel treatment for pain. D. C. Blakemore, S. A. Osborne, J. S. Bryans, D. C. Horwell, M. J. Field, L. Singh

240. Substituted-/V-[3-(1 -methyl-4-piper-dinyl)-1W-pyrrolo[3,2-b]pyridin-5-yl]amides as novel and potent 5HT1F receptor agonists. B. M. Mathes, K. W. Johnson, D. M. Nelson, L. A. Phebus, J. M. Schaus, D. B. Wainscott, S. A. Filla

241. Synthesis of (c0-3,3-diphenylalanine (d-dip) by enantioselective PTC and by resolution. Q-H. Zheng, M. J. O'Donnell, F. Delgado, Z. Fang, C. Zhou

242. Synthesis and biological evaluation of nitrosothiol esters of diclofenac as a new class of gastrointestinal-sparing prodrugs. U. K. Bandarage, L. Chen, X. Fang, D. S. Garvey, A. Glavin, D. R. Janero, L. G. Letts, G. J. Mercer, J. K. Saha, J. D. Schroe-der, M. J. Shumway, S. W. Tarn

243. Synthesis of new chiral analogs of PF460 as potential cannabinoid ligands. T. M. Caldwell, K. C. Rice, A. C. Howlett

244. 3-Acyloxy-2-benzyl-propyl thiourea analogs of tetrahydrobenzazepine and tetra-hydroisoquinoline as vanilloid receptor ligands. J. Lee, J. Lee, V. E. Marquez, M. Beheshti, T. Szabo, P. M. Blumberg

245. 3-Cycloalkyl-substituted GABA compounds as gabapentin analogs. T. Belliot-ti, D. J. Wustrow, T-Z. Su, N. Suman-Chauhan

246. 2,3-Diarylthiophenes as potent ligands for the human EP1 prostanoid receptor. P. Lacombe, R. Ruel, C. F. Sturino, M. Abramovitz, M-C. Carrière, S. Lamon-tagne, N. Sawyer, R. Stocco, Κ. Μ. Met-ters, M. Labelle

247. Novel synthesis of stereoselective^ β-deuterated tyrosine hydrochloride. D. W. Barnett, M. J. Panigot, R. W. Curley Jr.

248. Automated derivatization of a novel, en-docyclic sulfonamide template. D. D. Long, J. Zhou, A. P. Termin

249. Design and synthesis of conformational-ly constrained Grb2 SH2 domain inhibitors. Y. Gao, J. H. Voigt, J. Kelley, D. Yang, T. R. Burke Jr.

250. Design and synthesis of conformational-ly constrained glucagon analogs in pursuit of bioactive conformation. J-M. Ahn, J. R. Swift, M. Medeiros, D. Trivedi, V. J. Hruby, P. M. Gitu

251. Design, synthesis, and evaluation of novel adenosine A2A receptor agonists. J. M. Rieger, M. L. Brown, G. W. Sullivan, J. Linden, T. L. Macdonald

252. First noncovalent calix[4]arene-Gd-albumin complex. A. T. Yordanov, L. H. Bryant Jr., J. J. Linnoila, M. W. Brechbiel, J. A. Frank

253. Gradient optimization in flash chromatography. J. R. Bickler, P. C. Rahn

254. Design and synthesis of a novel chimeric sugar-benzodiazepine scaffold. L. Abrous, J. Hynes Jr., S. R. Friedrich, A. B. Smith III, R. Hirschmann

255. Improved synthesis of (fl)-[2-2H,15N]-glycine hydrochloride. J. R. Walker, M. J. Panigot, R. W. Curley Jr.

256. Improving flash purification throughput. J. R. Bickler, P. C. Rahn

257. Marine lipids as transport moieties in prodrug design. T. Thorsteinsson, T. Loftsson, M. Masson

258. New strategies of combinatorial library from natural products. Z-J. Chen, J. Dolan, S. LaTurner, S. Mulligan, C. Garr

259. Novel delivery system for therapeutic agents. K. L. Allen, L. Brandes, M. M. King

260. Nucleic acid-based scaffold (NAB) combinatorial libraries: A novel source of chemical diversity. Y. Jin, A. Roland, W-Q. Zhou, R. P. Iyer

261. Parallel flash separations with on-line UV detection and fraction collection. J. R. Bickler, P. C. Rahn

262. Purification of monoterpenoid esters by prep-HPLC. J. Liu, P. C. Rahn

263. Pyran template approach to the design of G protein-coupled receptor antagonists. K. A. Jacobson, A-H. Li, H. S. Kim, X-D. Ji

264. QSAR studies of 6-amino-1,2-diphe-nylhex-1-ene-like Calmodulin antagonists. H. Zhong, X. Lei, E. W. Taylor

265. Regioselective synthesis of 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine. H. Shao, Q. Zhang, C. Framp-ton, A. Vergnon, R. Goodnow

266. Removing tannins from harvested solutions containing medicinal compounds. T. C. Williams, P. Rahn

267. Solid-phase synthesis of 4,4-disubstituted piperidine. H. Shao, A. Vergnon, Q. Zhang, R. Goodnow

268. Solid-phase synthesis of caspase-3 inhibitors. E. L. Grimm, R. Aspiotis, C. Bayly, M. Garcia-Calvo, A. Giroux, Y. Han, D. McKay, D. Nicholson, E. Peterson, D. Rasper, J. Renaud, S. Roy, J. Tarn, P. Tawa, N. Thornberry, J. Vaillancourt, R. Zamboni, S. Xanthoudakis

269. Solid-phase synthesis of cyclic ami-dines. J. Zhou, C. Soares, C. Robinson, L. Robinson

270. Stereoselective synthesis of conforma-tionally constrained reverse-turn dipeptide mimetics. W. Qiu, V. A. Soloshonok, V. J. Hruby

271. Structure-activity relationships in lyso-phosphatic acid. W. L. Santos, S. B. Hooks, K. R. Lynch, T. L. Macdonald

272. Subtilisin Carlsberg suspended in organic solvents: A study of its structural integrity and active-site restrictions toward chiral substrates. G. Barletta, M. Fon-seca-Arroyo, I. Montanez-Clemente, A. Ferrer

273. Synthesis and fluorescent spectra studies of potential fluorescent ion indicators. H. E. Katerinopoulos, E. Foukaraki, F. Liepouri, A. Akoumianaki, T. G. Deligeor-giev

274. Synthesis and inhibit ion of 2-hydroxyglutarate-containing phosphoric acids and thiophosphoric acids. H. Lu, C. E. Berkman

275. Synthesis and preliminary tests of novel C- and S-glycosylated porphyrins as potential agents for photodynamic therapy. C. M. Drain, X. Chen, P. Pasetto, R. W. Franck

276. Synthesis of 2'-deoxyneplanocin C. J. B. Rodriguez, M. J. Comin, P. Russ, V. E. Marquez

277. Synthesis of conformationally restricted carbocyclic nucleosides built on a bicyclo[3.1.0]hexane template. R. S. Gupta, R. Vince

278. Synthesis of novel BSA-iodopanoic acid conjugate as a computed tomography (CT) agent. A. T. Yordanov, K. Garmes-tani, T. T. Nguyen, Y. S. Pannu, C. Sung, R. Dedrick, M. P. Beitzel, A. M. Smith, O. A. Gansow, E. H. Oldfield, M. W. Brechbiel

279. Synthesis of TEMPO-functionalized G-6-PAMAM(TM)-dendrimers for in vivo EPR imaging. A. T. Yordanov, M. W. Brechbiel, K. Yamada, M. C. Krishna, J. B. Mitchell

280. Systematic flash purification scale-up of synthetic reaction mixtures. J. R. Bickler, P. C. Rahn

281. Using activated carbon to purify valuable unstable reagents and increase synthesis yield. T. C. Williams, P. Rahn

282. Using experimental design to optimize static headspace analysis performance for the analysis of pharmaceutical organic volatile impurities (OVIs). M. Krigbaum, G. Smith, E. T. Heggs

283. New simple class of potent cholesteryl ester transfer protein inhibitors. L. J. Wang, R. C. Durley, M. L. Grapperhaus, M. A. Massa, B. S. Hickory, D. A. Mischke, D. D. Honda, J. A. Sikorski

284. Novel and convenient solid-phase library synthesis of substituted guanidine. A. K. Ghosh, W. G. J. Hoi, E. Fan

285. Heteroaryl keto thrombin inhibitors: Design and synthesis. W. Pan, T. Lu, R. M. Soil, B. E. Tomczuk, R. Bone, J. Spuriino, D. W. Green

286. Design, synthesis, and structure-activity relationship of a new class of bicyclic thrombin inhibitors. D. M. Rush, C. A. Coburn, P. Williams, S. D. Lewis, B. J. Lucas, J. P. Vacca, C. K. Thomas

287. Amino acid alkoxyguanidines as thrombin inhibitors. T. P. Markotan, T. Lu, R. M. Soil, B. E. Tomczuk, J. Spuriino, L. G. Murphy

288. SAR investigations of /V-aryl-2-[(piperidin-4-yl-carbonyl)amino]benzamide factor Xa inhibitors. J. A. Kyle, B. D. Bailey, J. Buben, N. Y. Chirgadze, M. Chouinard, T. J. Craft, W. D. Daniels, C. P. Denny, J. Ficorilli, J. B. Franciskovich, L. L. Froelich, D. S. Gifford-Moore, T. Goodson Jr., N. G. Halligan, L. Hay, D. K. Herron, C. V. Jackson, S. P. Joseph, V. J. Klimkowski, K. D. Kurz, J. H. Linebarger, J. J. Masters, J. R. McCowan, D. Mendel, L. P. Muegge, A. T. Murphy, M. M. Pineiro-Nunez, A. M. Ratz, T. J. Shetler, J. K. Smallwood, G. F. Smith, J. M. Tinsley, R. D. Towner, W. G. Trankle, P. Waid, L. C. Weir, Y. K. Yee, M. R. Wiley

289. SAR investigations in a series of non-amidine-containing inhibitors of human factor Xa. J. J. Masters, J. M. Tinsley, J. B. Franciskovich, B. D. Bailey, D. W. Beig-ht, R. F. Brown, J. A. Buben, M. L. Chouinard, T. J. Craft, W. D. Daniels, C. T. Dun-widdie, J. V. Ficorilli, L. L. Froelich, D. S. Gifford-Moore, T. Goodson Jr., C. S. Harms, D. K. Herron, C. V. Jackson, J. A. Jakubowski, S. P. Joseph, V. J. Klimkowski, K. D. Kurz, J. R. McCowan, J. M. McGill III, D. Mendel, L. P. Muegge, A. T. Murphy, A. M. Ratz, T. J. Shetler, J. S. Sawyer, J. K. Smallwood, G. F. Smith, T. Smith, A. L. Tebbe, J. E. Toth, R. D. Towner, W. G. Trankle, L. C. Weir, M. R. Wiley, A. Wilson, Y. K. Yee

290. New functional groups for interaction with the S1 pocket of factor Xa: The discovery of 1 -(4-methoxyphenyl)pyrazole inhibitors. R. A. Galemmo Jr., J. Fevig, P. Y. Lam, D. J. Pinto, C. Dominguez, R. S. Alexander, K. A. Rossi, B. L. Wells, S. Drummond, C. Clarke, R. Li, P. C. Wong, M. R. Wright, R. M. Knabb, R. R. Wexler

2 9 1 . Anthrani late-based, piperidine-containing inhibitors of human factor Xa. M. M. Pineiro-Nunez, C. P. Denny, J. M. Tinsley, J. J. Masters, J. B. Franciskovich, J. Buben, M. L. Chouinard, T. J. Craft, W. D. Daniels, L. L. Froelich, D. S. Gifford-Moore, S. P. Joseph, V. J. Klimkowski, J. A. Kyle, A. L. Marquait, J. R. McCowan, D. Mendel, J. K. Smallwood, G. F. Smith, A. L. Tebbe, R. D. Towner, L. C. Weir, M. R. Wiley, Y. K. Yee

292. Biotransformation of arachidonic acid and its biologically active eicosanoids by human microsomes and recombinant UGT2B7. A. R. Jude, K. Graves, J. M. Little, A. Radominska-Pandya

293. Synthesis and structure-activity studies on a series of imidazoles as CI-IA adrenoceptor agonists. R. J. Altenbach, A. Khilevich, T. P. Kolasa, J. J. Rohde, P. Bhatia, M. V. Patel, X. B. Searle, F. Yang, W. Bunnelle, K. Tietje, E. K. Bayburt, W. A. Carroll, M. D. Meyer, S. A. Buckner, J. Kuk, A. V. Daza, I. V. Milicic, J. C. Cain, C. H. Kang, L. M. Ireland, A. A. Hancock, M. Nakane, T. A. Esbenshade, M. Brune, A. B. O'Neill, D. M. Gauvin, S. Katwala, J. Brioni, M. W. Holladay, J. P. Sullivan

294. ABT-866, a novel a!-adrenoceptor li-gand with an enhanced in vitro and in vivo profile relative to phenylpropanolamine (PPA) and midodrine. R. J. Altenbach, M. D. Meyer, A. Khilevich, S. A. Buckner, I. V. Milicic, A. V. Daza, M. Brune, A. O'Neill, J. C. Cain, M. Nakane, M. Williams, J. Brioni, M. W. Holladay, J. P. Sullivan

295. Design, synthesis, and structure-activity relationships of pyridine-phenylpiperaz-ines: A novel series of potent and selective ccla-adrenergic receptor antagonist. G-H. Kuo, C. Prouty, W. V. Murray, V. Pu-lito, L. Jolliffe, P. Cheung, S. Varga, M. Evangelisto, C. Shaw


296. Discovery of ABT-980 (fiduxosin): A novel potent and selective a1a/ot1d adrenoceptor antagonist for the symptomatic treatment of benign prostatic hyperplasia (BPH). M. D. Meyer, R. J. Altenbach, F. Basha, W. A. Carroll, I. Drizin, K. Sippy, K. Tietje, A. A. Hancock, M. Brune, S. A. Buckner, J. Kerwin, M. Williams

297. Structure-activity studies leading to the identification of ABT-980(fiduxosin): A novel selective a1A/a1D antagonist for the symptomatic treatment of benign prostatic hyperplasia (BPH). I. Drizin, R. J. Altenbach, F. Basha, W. Carroll, K. Sippy, K. Tietje, A. Hancock, S. Buckner, M. Meyer, J. Kerwin

298. Cyclic imides as potent and selective a1a adrenergic receptor antagonists. R. M. DiPardo, M. A. Patane, R. P. Price, R. C. Newton, J. DiSalvo, T. P. Broten, R. S. L. Chang, R. W. Ransom, R. M. Freid-linger, M. G. Bock

299. Endogenous natriuretic factor LLU-a: New derivatives and their bioactivity. O. Aleksiuk, E. D. Murrey Jr., E. J. Benak-sas, K. M. Gibson, W. H. Wang

300. Selective β adrenergic modulators for the treatment of obesity. C. D. Jesuda-son, M. G. Bell, T. A. Crowell, C. A. Droste, C. D. Jones, G. Kim, D. P. Matthews, D. A. Neel, C. J. Rito, A. J. Shuker, M. A. Winter, R. D. Bryant, J. W. Fisher, M. K. Peters, W. G. Trankle, M. L. Heiman, A. V. Kriauciunas, F. C. Tinsley, J. Dananberg, J. W. Miller

301. Design, synthesis, and SAR of human β3 adrenergic receptor agonists containing bicyclic heteroarylethanolamines. J. He, E. R. Parmee, M. R. Candelore, M. A. Ca-scieri, Y. Liu, L. Tota, M. J. Wyvratt, M. H. Fisher, A. E. Weber

302. Potent, selective, and orally bioavailable 3-pyridylethanolamine β3 adrenergic receptor agonists possessing a thiazole ben-zenesulfonamide pharmacophore. R. J. Mathvink, J. S. Tolman, D. Chitty, M. R. Candelore, M. A. Cascieri, L. Deng, L. F. Colwell Jr., W. P. Feeney, M. J. Forrest, G. J. Horn, D. E. Maclntyre, R. R. Miller, R. A. Stearns, L. Tota, M. J. Wyvratt, M. H. Fisher, A. E. Weber

303. Novel β3 adrenergic receptor agonists. M. Yanai, T. Takahashi, K. Kawamura, M. Ueno, S. Hiramoto, K. Katsuyama, S. Fuchizawa

304. Pyrazole-based antagonists of the human neuropeptide-Y5 (NPY5) receptor. C. P. Kordik, C. Lou, B. Zanoni, J. J. McNal-ly, S. L. Dax, T. W. Lovenberg, S. J. Wilson, A. H. Vaidya, J. J. Crooke, D. Rosenthal, A. Reitz

305. Exploration of novel ligand binding modes leading to potent small-molecule bis-carboxy naphthalene PTP1B-in-hibitors. J. H. Voigt, Y. Gao, H. Zhao, H. Ford Jr., M. C. Nicklaus, Z-Y. Zhang, T. R. Burke Jr.

306. Identification of indole sulfonamides as novel aldose reductase inhibitors. J. H. Jones, M. L. Jones, A. R. Moorman, H. Dumas, B. Flam, A. Sabetta, D. Sawicki, J. Sredy, B. Chevrier, A. Mitschler

307. Substituted indolealkanoic acids as novel aldose reductase inhibitors. J. H. Jones, D. Gunn, M. L Jones, M. C. Van Zandt, D. J. Lavoie, D. Sawicki, J. Sredy, E. Howard, A. D. Podjarny

308. LR 90, a new compound with both hypolipidemic and hypoglycemic activities. J-J. Zeiller, M. Brunet, J-J. Berthelon, F. Contard, D. Guerrier, G. Augert, E. Raspe, V. Guyard-Dangremont

309. Oxindole derivatives as orally active potent growth hormone secretagogues. R. Nagata, T. Tokunaga, E. W. Hume, K. Okazaki, Y. Ueki, K. Kumagai, J. Naga-mine, H. Seki, M. Taiji, H. Noguchi

310. Design and synthesis of 5-substituted pyrrolidinone-containing antagonists of the ανβ3 receptor. J. J. Perkins, R. S. Meiss-ner, M. E. Duggan, G. D. Hartman, L. T. Duong, J. J. Lynch Jr., C. Fernandez-Metzler, M. Bennett, K. Merkle, L. Libby, C-T. Leu, R. Nagy, T. Prueksaritanont, G. Rodan, S. Rodan, G. Stump, A. Wallace, G. A. Wesolowski

106 JULY 24, 2000 C&EN

311. Design and synthesis of pyrrolidinone-containing antagonists of the ανβ3 receptor: Evaluation of an ester prodrug in a rat model of osteoporosis. A. E. Zartman, R. S. Meissner, M. E. Duggan, L. T. Duong, C. Fernandez-Metzler, J. E. Fisher, M. A. Gentile, L. Gorham, G. D. Hartman, C-T. Leu, L. Libby, J. J. Lynch Jr., R. Nagy, K. Merkle, T. Prueksaritanont, G. Rodan, S. Rodan, G. Stump, A. Wallace, G. A. We-solowski, J. J. Perkins

312. Synthesis and biological activity of 1a-hydroxyvitamin D analogs with truncated side chain. S. Gowlugari, R. R. Sicinski, H. F. DeLuca

313. Novel class of nonpeptidic cyanamide inhibitors of human cathepsin K. R. M. Oballa, J-P. Falgueyret, P. Prasit, M. D. Percival, D. Riendeau, O. Okamoto, G. Wesolowski, S. Rodan, R. Rydzewski, Y. Aubin

314. Synthesis of stilbene (bis)sulfonic acid, (bis)benzamides as FSH antagonists. J. F. Rogers, D. Green, J. Wrobel

315. Methanocarba analogs of purine nucleosides as potent and selective adenosine receptor agonists. G. R. Rajendran, X-D. Ji, N. Melman, M. A. Siddiqui, A-H. Li, K-J. Shin, V. E. Marquez, K. A. Jacobson

316. Identification of a nonsteroidal ligand for the nuclear bile acid receptor FXR. P. R. Maloney, C. D. Haffner, A. M. Fivush, K. Plunket, K. L. Creech, D. J. Parks, T. M. Willson

317. Discovery and synthesis of the first potent and selective small-molecule ORL1 receptor antagonist: J-113397. H. Kawamoto, S. Ozaki, Y. Itoh, M. Miyaji, S. Arai, H. Nakashima, T. Kato, H. Ohta, Y. Iwasa-wa



* Functionating Novel Targets K. Shiosaki, Organizer, Presiding 1:30—318. Drug discovery process using a

focused kinase inhibitor library. S. Bhag-wat

2:10—319. Rapid identification of protein li-gands. J. Nestor, L. C. Cantley, Β. Ε. Turk, C. J. Wilson, C. Tan, B. C. Natke, R. H. See, E. C. Kolczkowski, S. A. Kates, J. Wang

2:50—320. Use of genomics to identify novel targets for drug discovery. R. I. Tepper

3:30—321. Rapid identification and optimization of small-molecule agonists and antagonists for novel targets: General considerations and specific examples. K. R. Shaw, A. J. Hutchison

• Catalysis



• Environmental


Sciences



Witiak Symposium D. Rotella, Organizer, Presiding 8:30—Introductory Remarks. 8:40—322. Development and optimization of

phosphodiesterase type 5 inhibitors. D. P. Rotella, Y. Zhu, Z. Sun, L. Seliger, R. Pongrac, J. Krupinski, D. Normandin, J. E. Macor

9:15—323. Design and synthesis of clozapine-like receptor selective ligands as novel therapeutic agents for neuropsychiatrie disorders. A. Tehim, J-M. Fu, P. Power, R. A. Kirby, S. Rakhit, D. K. H. Lee, R. Kamboj

9:50—324. Chemokines: Targets for novel therapeutics. B. K. Trivedi

10:25—325. Search for selective lysophos-phatidic acid (LPA) antagonists. D. D. Miller, V. M. Sardar, D. Elrod, G. Sun, H. Xu, J. T. Dalton, G. Tigyi, D. Baker, T. Virag, N. Nusser, D. Fischer, Z. Lorincz, L. Jennings, J. Bao, A. L. Parrill, D. Bautista, K. Liliom

11:00—326. Design and synthesis of inhibitors of botulinum neurotoxin A and Β proteases. D. H. Rich, T. K. Oost, C. Sukon-pan


* Cardiovascular Β. Κ. Trivedi, Organizer 1:00—327. Design and synthesis of potent,

selective, and orally bioavailable potassium (IKs) blockers. J. Lloyd, J. B. Schmidt, S. Ahmad, K. Atwal, S. Bisaha, L. Dowey-ko, G. Rovnyak, P. Stein, S. Traeger, M. Young, M. L. Conder, J. DiMarco, T. Harper, T. Jenkins-West, P. Levesque, D. Normandin, A. Russell, M. Smith, N. Lodge

1:45—328. Aryl 1,2-diamino- and anthranilate-based inhibitors of human factor Xa. J. J. Masters, J. B. Francisko-vich, J. M. Tinsley, B. D. Bailey, D. W. Beight, R. F. Brown, J. Buben, M. L. Chouinard, T. J. Craft, W. D. Daniels, C. T. Dunwiddie, J. V. Ficorilli, L. L. Froelich, D. S. Gifford-Moore, T. Goodson Jr., C. S. Harms, D. K. Herron, C. V. Jackson, J. A. Jakubowski, S. P. Joseph, V. J. Klimkow-ski, K. D. Kurz, J. R. McCowan, J. M. McGill III, D. Mendel, L. P. Muegge, A. T. Murphy, A. M. Ratz, T. J. Shetler, J. S. Sawyer, J. K. Smallwood, G. F. Smith, T. Smith, A. L. Tebbe, J. E. Toth, R. D. Towner, W. G. Trankle, L. C. Weir, M. R. Wiley, A. Wilson, Y. K. Yee

2:30—329. Structure-based design and discovery of orally bioavailable potent non-benzmidine factor Xa inhibitors. P. Y. S. Lam, R. Li, C. G. Clark, J. J. Adams, R. A. Galemmo, J. M. Fevig, D. J. Pinto, M. L. Quan, M. He, Q. Han, R. S. Alexander, K. A. Rossi, P. C. Wong, J. M. Luettgen, B. J. Aungst, M. R. Wright, S. A. Bai, R. M. Knabb, R. R. Wexler

3:15—330. Gene transfer and hepatic over-expression of the HDL receptor SR-BI reduces atherosclerosis in the cholesterol-fed LDL receptor-deficient mouse. K. F. Kozarsky, M. H. Donahee, J. Glick, D. Rader, M. Krieger

4:00—331. Innovative drug development: Is speed of development a factor? A. Raza

NUCL

DIVISION OF NUCLEAR CHEMISTRY & TECHNOLOGY D. S. Brenner, Program Chair

RECEPTION: Wine Reception, Tue

SOCIAL EVENT: Social Hour, Mon BUSINESS MEETING: Mon

SUNDAY MORNING

Section A Marriott Metro Center Salon A

Chemical and Nuclear Properties of the Heaviest Elements: A Symposium in Memory of Glenn T. Seaborg Historical

D. C. Hoffman, Organizer, Presiding 9:00—1. Many-faceted career of Glenn T.

Seaborg. D. C. Hoffman, D. M. Lee 9:30—2. Early searches for superheavy ele

ments. J. F. Wild 10:00—3. First single-atom experiments:

Discovery of mendelevium, Ζ = 101. G. R. Choppin

10:35—Intermission. 10:50—4. Early studies of the chemical prop

erties of the heaviest elements. R. J. Silva 11:25—5. Discovery and naming of element

106 (seaborgium). C. T. Alonso

Section Β Marriott Metro Center Salon Β

Analytical Chemistry in Nuclear Technology Recent Developments in Radiochemistry and Separations Science and Technology

C. J. Coleman, D. E. Hobart, J. C. Griffin, D. T. Hobbs, Organizers D.E. Hobart, Presiding 8:30—Introductory Remarks. 8:40—6. Application of low-energy γ spec

trometry in rapid actinide analysis. D. L. Stricklin, Â. Tjàmhage, U. Nygren

9:00—7. Measurement of americium and curium isotopes in Savannah River Site, high-activity waste sludge. D. P. DiPrete, N. E. Bibler, W. T. Boyce, C. J. Coleman

9:20—8. Analytical chemistry quality assessment at LANL. L Tandon, Κ. J. Kuhn, P. M. Martinez, L. F. Walker, D. J. Temer, D. J. Martinez, K. J. Ryan, A. G. Wilson, M. S. Hamada

9:40—9. New extractive scintillation cocktail for the analysis of actinides. D. D. Ensor, S. W. Glover, H. Wang

10:00—Intermission. 10:15—10. H EU hold-up measurements for

deactivating 321 -M. S. Salaymeh, R. Dewberry

10:35—11. Theory of function and selectivity of ion channels. S. B. Rempe, L. R. Pratt

10:55—12. Nondestructive assay standard for 235U measurements. B. Srinivasan, B. C. Srinivasan, U. I. Narayanan


11:15—13. Separation and purification and β liquid-scintillation analysis of 151Sm in Savannah River Site and Hanford site DOE high-level waste. R. A. Dewberry, J. D. Leyba, D. M. Ferrara

SUNDAY AFTERNOON


Chemical and Nuclear Properties of the Heaviest Elements: A Symposium in Memory of Glenn T. Seaborg Chemical Properties

W. Loveland, Presiding 2:00—Introductory Remarks. 2:05—14. Theoretical predictions of chemical

properties of the heaviest elements. V. Pershina

2:45—15. Recent studies of the solution chemistry of elements 104, 105, and 106. J. V. Kratz

3:20—Intermission. 3:35—16. Liquid-liquid extraction and liquid-

scintillation counting as tools in probing the chemical properties of the heaviest elements. J. P. Omtvedt, SISAK Collaboration

4:10—17. Gas-phase chemistry of transac-tinides. H. Gâggeler

4:45—18. First chemical characterization of bohrium (element 107). R. Eichler, H. Gaeggeler, A. Tuerler, K. E. Gregorich, D. C. Hoffman, H. Nitsche, C. A. Laue, M. Schaedel, A. B. Yakushev


Analytical Chemistry in Nuclear Technology Online Instrumentation and Sensor Development

M. J. Plodinec, Presiding 1:30—Introductory Remarks. 1:40—19. Selective detection of uranium(VI)

using a capillary electrophoresis microchip. G. E. Collins, Q. Lu

2:00—20. Control of thermal processes. J. S. Lindner

2:20—21. Process monitoring of Idaho Falls waste glasses by slurry nebulization inductively coupled plasma atomic emission spectrometry. A. R. Jurgensen, F. M. Pennebaker

2:40—22. On-line process monitoring of technetium in Hanford radioactive waste. F. M. Pennebaker, R. Sigg, W. A. Spencer, M. J. Whitaker, D. P. DiPrete, D. Mc-Cabe, J. C. Hart

3:00—Intermission. 3:15—23. Diode-laser cavity ringdown spec

troscopy for on-line monitoring applications. C. B. Winstead, G. M. Molen, S. T. Scherer, A. C. Srivastava, J. P. Singh

3:35—24. On-line spectrophotometry measurements of uranium and acid concentrations for Savannah River Site's H-Canyon. R. Lascola, R. R. Livingston, M. A. Sanders, J. E. McCarty, J. L. Dunning

3:55—25. Sensitive detection of toxic chlorinated organic compounds by cavity ring-down spectroscopy. R. Vasudev, I. Tretia-kov

4:15—26. Utilization of a novel surface plas-mon resonance probe for gas- and liquid-phase chemical sensing. Β. Β. Anderson, S. M. Serkiz, K. R. Powell, J. E. McCarty, M. A. Sanders

4:35—Discussion.

JULY 24, 2000 C&EN 107

NUCL/TECHNICAL PROGRAM

MONDAY MORNING


Chemical and Nuclear Properties of the Heaviest Elements: A Symposium in Memory of Glenn T. Seaborg Chemical Properties and Environmental Aspects

H. Gaeggeler, Presiding 8:30—27. Chemical approaches to explore

the properties of the heavier transactin-ides. C. A. Laue

8:55—28. New interface for heavy-element studies at the Berkeley Gas-filled Separator. U. W. Kirbach, K. E. Gregorich, V. Ni-nov, C. M. Folden III, T. N. Ginter, D. M. Lee, J. B. Patin, D. A. Shaughnessy, D. A. Strellis, R. Sudowe, P. A. Wilk, P. M. Zie-linski, D. C. Hoffman, H. Nitsche

9:20—29. Application of extraction chromatography and SPE techniques to the study of lighter transactinide elements. R. Sudowe, K. E. Gregorich, U. W. Kirbach, D. M. Lee, J. B. Patin, D. A. Strellis, P. A. Wilk, D. C. Hoffman

9:45—Intermission. 10:00—30. Actinides and the environment:

Challenge for interdisciplinary research. H. Nitsche

10:35—31. Actinides in soils and sediments. S. B. Clark

11:10—32. Prudent move or mobile Chernobyl: Transportation of nuclear waste. C. J. Hsu, C. Consiglio, C. Hein, S. Hewitt, B. Kucner, M. Loh, N. Meenaghan, R. Michaud, S. Murphy, A. Patel, S. Reed, D. Rubin, P. Schwartz, M. Sheer, J. Starr, A. Mignerey, S. Tumey


Analytical Chemistry in Nuclear Technology Recent Developments and Applications in Mass Spectroscopy

D. M. Wayne, D. W. Koppenaal, Presiding

8:30—Introductory Remarks. 8:40—33. High-throughput uranium-isotope

ratio analysis using MC/ICP/MS: Techniques to improve mass bias stability. I. M. Bowen, P. Miller

9:00—34. Application of ICP/MS for characterization of solutions generated from durability testing of spent nuclear fuel. S. F. Wolf

9:20—35. Laser ablation ICP/MS: Qualitative and quantitative data from Hanford Site tank wastes. M. R. Smith, B. A. Crawford

9:40—36. Removal of matrix interferences in ICP/MS analysis of radioactive waste samples. L. L. Tovo, C. S. Nuessle

10:00—Intermission. 10:15—37. High-performance mass spec

trometers for nuclear safeguards measurements. S. A. Goldberg, S. Richter, P. V. Croatto

10:35—38. Determination of hydrogen isoto-pic content in aqueous materials containing deuterium oxide by solid-phase micro-extraction. J. E. Young, S. L. Crump

10:55—39. Simple time-of-flight mass spectrometer for thermal ionization cavity mass spectrometry. D. M. Wayne

11:15—40. Miniature quadrupole glow discharge mass spectrometer for glovebox-based analysis. R. S. Fields, V. Majidi, D. M. Wayne

Section C Marriott Metro Center Salon C

Nucleosynthesis 2000 Solar Neutrinos and Hydrogen Burning

A. Aprahamian, Ε. Β. Norman, Organizers Ε. Β. Norman, Presiding 8:00—41. Solar models: Helioseismic com

parisons vs. the solar neutrino problem. C. M-L Neuforge, J. A. Guzik, A. C. Young, R. I. Epstein

8:30—42. Solar neutrinos: An overview. J. N. Bahcall

9:00—43. Testing the ANC method. F. M. Nunes

9:30—44. Precision measurements of 17S with radioactive beams. M. Gai

10:00—Intermission. 10:15—45. Direct measurements of the nu

clear reaction 7Be(p,y)8B. U. Greife 10:45—46. Seattle-Triumf 7Be(p,y)8B experi

ment. K. A. Snover, A. R. Junghans, E. C. Mohrmann, T. D. Steiger, E. G. Adelberg-er, H. E. Swanson, L. R. Buchmann, S. Park, A. Zyuzin

11:15—47. Evaluation of some charged-particle-induced thermonuclear reaction rates. H. R. Weller, and the TUNL Radiative Capture Group

11:45—48.14Ν(ρ,γ)1δΟ at low stellar temperatures. A. E. Champagne

MONDAY AFTERNOON


Chemical and Nuclear Properties of the Heaviest Elements: A Symposium in Memory of Glenn T. Seaborg Nuclear Properties

J. V. Kratz, Presiding 1:30—Introductory Remarks. 1:35—49. Calculated properties of heavy

and superheavy nuclei. A. Sobiczewski 2:15—50. Recent theoretical investigations

of transactinide nuclei. R. Smolanczuk 2:50—Intermission. 3:05—51. Unshielded fusion and the produc

tion of superheavy elements. Κ. Ε. Gregorich, V. Ninov

3:40—52. Heavy-element research in Japan: Status and prospects. Y. Nagame, H. Na-kahara

4:15—53. Random probability analysis of heavy-element data. N. J. Stoyer, M. A. Stoyer, J. F. Wild, K. J. Moody, R. W. Lougheed, Y. T. Oganessian, V. K. Utyon-kov



Analytical Chemistry in Nuclear Technology Developments and Applications in Analytical Chemistry

B. C. Srinivasan, Presiding 1:30—Introductory Remarks. 1:40—54. Simultaneous UV-vis spectroscop

ic determination of plutonium and uranium in mixed oxides. B. B. Anderson, R. N. Mahannah, V. C. Sharma, M. A. Sanders

2:00—55. Development of a convenient dissolution and analysis scheme for radioactive glass. C. J. Coleman

2:20—56. Analysis of Hanford low-activity waste pretreated supemate and immobilized glass product in support of Hanford treatability study. C. L. Crawford, Ο. Μ. Ferrara, R. F. Schumacher, Ν. Ε. Bibler

2:40—57. Elemental analysis in plutonium matrices using laser-induced breakdown spectroscopy (LIBS). C. A. Smith, M. A. Martinez, D. K. Veirs


3:15—58. Detection of Re, Cr, Mg, and Mn in liquid by laser-induced breakdown spectroscopy. J. P. Singh, F-Y. Yueh, W. A. Spencer

3:35—59. Comparison of experimental techniques for determination of uranium distribution coefficients on geomedia. S. M. Serkiz, D. I. Kaplan, W. H. Johnson

3:55—60. Nuclear forensic analysis of uranium samples. K. J. Moody, P. M. Grant, I. D. Hutcheon

4:15—61. Analyses of questioned CBW specimens at the Livermore Forensic Science Center. P. M. Grant, A. Alcaaraz, R. E. Whipple, B. D. Andresen

4:35—62. Determination of corrosion species in high-level nuclear waste using Raman spectroscopy. D. T. Hobbs, J. M. Bello, R. W. Forney


Nucleosynthesis 2000 He Burning and Neutron Capture Processes (s-process)

K-H. Langanke, Presiding 1:15—63. Nuclear reactions in the helium-

burning phase of stars. J. W. Hammer, R. Kuntz, M. Jaeger, A. Mayer, G. Staudt, S. Harissopulos, G. Souliotis, T. Paradellis, K-L. Kratz, B. Pfeiffer

1:45—64. Evaluated cross sections for BBN and helium-burning reactions. G. M. Hale, A. S. Johnson

2:15—65. Topics in stellar He burning. J. Goerres

2:45—66. 12C(a,y) and the 13C(a,n) reactions in stellar helium burning. M. Wie-scher

3:15—Intermission. 3:30—67. Slow neutron capture process in

massive stars. M. F. El Eid 4:00—68. Stellar s-process rates of radioac

tive isotopes: Impact, measurements, and perspectives. F. Kàppeler

4:30—69. Measurements of the astrophysi-cal rates for the 1β2·194·1β5·196ΡΙ(π,γ) reactions. P. E. Koehler, J. A. Harvey, S. Raman, K. H. Guber, R. R. Winters, J. A. Becker


Sci-Mix Analytical Chemistry in Nuclear Technology

D. S. Brenner, Presiding 8:00-10:00 70. Analysis of carbon in plutonium oxide

samples for nuclear materials stabilization and storage-dissolution campaigns. M. Bernard

71. Analysis of high-bum up spent nuclear fuel using HPLC-ICP/MS. S. F. Wolf, D. L Bowers

72. New measurement techniques and results for tritium in concrete. R. C. Hochet

73. Quantitation of TBP in aqueous solutions using isotopic dilution and GC/MS SIM analysis. S. L. Crump, J. E. Young

74. Use of online fiber-optic colorimeter systems for process measurements in nuclear facilities at the Savannah River site. R. Lascola, R. R. Livingston, J. E. McCarty, J. L Dunning, D. B. Andrus, B. V. Nguyen


TUESDAY MORNING


Chemical and Nuclear Properties of the Heaviest Elements: A Symposium in Memory of Glenn T. Seaborg Nuclear Properties

K. Gregorich, Presiding 9:00—75. Entrance channel properties in

cold and hot fusion reactions. P. Moller, A. J. Sierk, A. Iwamoto

9:40—76. Survival of hot heavy nuclei. W. Loveland

10:20—Intermission. 10:35—77. Characteristics of the two modes

of fission in the region of heavy nuclides. H. Nakahara, Y. Zhao, K. Sueki, Y. Nagame, K. Tsukada, I. Nishinaka

11:15—78. Electron-capture delayed fission properties of neutron-deficient einsteinium nuclei. D. A. Shaughnessy, Κ. Ε. Gregorich, J. Adams, C. A. Laue, M. Lane, D. Lee, C. A. McGrath, J. B. Patin, D. A. Strellis, E. R. Sylwester, P. A. Wilk, D. C. Hoffman


• Nuclear and Analytical Techniques in Weapons Nonproliferation Policy and Strategy

P. L. Reeder, R. A. Warner, Organizers R. A. Warner, Presiding 9:00—79. Chemical facets of threat reduc

tion. J. Davis 9:30—80. Science and technology for non-

proliferation and natural security. M. McCarthy

10:00—81. Role of technology in arms control and nonproliferation policy making. M. Dreicer

10:30—82. Disarmament and verification regimes: Benefits and limits of new technologies implementation. M. Richard

83. Withdrawn. 11:00—84. Potential uses of commercial ob

servation satellites to strengthen nuclear nonproliferation regime. H. Zhang


Nucleosynthesis 2000 Binaries and Radioactive Ion Beams

K. Rykaczewski, Presiding 85. Withdrawn. 8:30—86. Mass measurements along the rp-

process path: Results of recent measurements. D. S. Brenner

9:00—87. 39Ca(p,Y)40Sc reaction in a microscopic model. P. Descouvemont

9:30—88. Effects of β-delayed proton emission on the φ process. R. N. Boyd

10:00—Intermission. 10:15—89. Transfer, breakup, and fusion in

the 6He + 209Bi reaction near the Coulomb barrier. J. J. Kolata

10:45—90. Charged-particle reactions for rapid hydrogen and helium burning. A. C. Shorter

11:15—91. Nuclear astrophysics with radioactive beams at Louvain-la-Neuve. C. Angulo

11:45—92. γ-Ray spectroscopy with the Notre Dame radioactive beam facility. S. M. Vincent, A. A. Aprahamian, J. J. Kolata, V. Guimaraes, R. C. de Haan, D. Peterson, P. Santi, A. Teymurazyan, F. D. Bec-chetti, M. Y. Lee, T. W. O'Donnell, D. A. Roberts, J. A. Brown, J. Zimmerman

108 JULY 24, 2000 C&EN

TUESDAY AFTERNOON


Chemical and Nuclear Properties of the Heaviest Elements: A Symposium in Memory of Glenn T. Seaborg Seaborg Education Legacy

R. J. Otto, Presiding 1:30—93. Seaborg education legacy. R. J.

Otto 1:50—94. Informal science education: Stimu

lating minds for science. M. C. Diamond 2:30—95. K-12 science education and nu

clear science literacy. Ε. Β. Norman 2:55—Intermission. 3:10—96. Preparing the next generation of

scientists and engineers at Department of Energy laboratories. R. E. Leber

3:35—97. Summer school programs in nuclear and radiochemistry at San Jose State University, Brookhaven National Laboratory and the G.T. Seaborg Institute for Transactinium Science at LLNL. R. J. Silva

4:00—98. Graduate education: Preparing the next generation of nuclear scientists—then and now. D. J. Morrissey

4:25—99. "A nation at risk" public policy and back to basics. R. J. Otto


• Nuclear and Analytical Techniques in Weapons Nonproliferation Comprehensive Nuclear-Test-Ban Treaty Monitoring

L. Casey, Presiding 2:00—100. Certification of a radionuclide lab

oratory for the Comprehensive Nuclear Test-Ban Treaty International Monitoring System. P. D. Greenlaw, C. G. Sanderson

2:30—101. Automated radioxenon sampler-analyzer: Detection of radioactive xenon for the CTBT. T. W. Bowyer, J. C. Hayes, P. L Reeder, M. E. Panisko, W. K. Pitts, J. I. Mclntyre, K. H. Abel, R. C. Thompson, T. R. Heimbigner, R. A. Warner

3:00—102. Identification of Xe fission product isotopes by β-γ coincidence counting for CTBT. P. L. Reeder, T. W. Bowyer, J. I. Mclntyre, W. K. Pitts

3:30—103. International program to test and evaluate CTBT/IMS noble gas equipment. W. Weiss, W. Harms, H. Sartorius, C. Schlosser, M. Auer, J. Schulze, X. Blanchard, J. Carbonnelle, J-P. Fontaine, J-C. Piwowarczyk, M. Thouard, K. H. Abel, T. W. Bowyer, J. C. Hayes, T. R. Heimbigner, J. I. Mclntyre, M. E. Panisko, Y. V. Du-basov, N. Kazarinov, V. Prelovsky, Y. S. Popov, T. Larson, A. Ringbom

4:00—104. Technical challenges toward developing effective on-site inspection measures for CTBT. V. D. Patel

4:30—105. High-resolution γ-ray spectrometer and a general radionuclide assay system for Comprehensive Nuclear-Test-Ban Treaty on-site inspections. S. A. Kreek, W. A. Romine, J. L. Wong, T. F. Wang, R. J. Nagle, W. E. Parker, W. M. Buckley, G. J. Mauger, A. D. Lavietes, W. D. Ruhter

A Catalysis



• Environmental M Materials if Pharmaceuticals & Life

Sciences



Nucleosynthesis 2000 Neutron Capture Processes (r-process)

F. Kaaepeler, Presiding 1:45—106. Stellar heavy-element abundanc

es and ages. J. J. Cowan 2:15—107. Shell model half-l ives of

r-process wait ing-point nuclei. G. Martinez-Pinedo, K. Langanke

2:45—108. Role of neutrinos in r-process nucleosynthesis. A. B. Balantekin

3:15—109. Nuclear shell effects near the r-process path. M. M. Sharma

3:45—Intermission. 4:00—110. Stellar and nuclear physics con

straints on two r-process components in the early galaxy. K-L. Kratz, B. Pfeiffer, F-K. Thielemann

4:30—111. Shell model structure around 132Sn. B. A. Brown

5:00—112. Forbidden and Gamow-Teller decay of Ν = 82 and Ν = 126 closed neutron shell nuclei. W. B. Walters, K-L. Kratz

WEDNESDAY MORNING


Neutron Activation Techniques and Applications Neutron Beam Techniques for Materials Analysis

D. L. Anderson, E. A. Mackey, Organizers D. L. Anderson, Presiding 9:00—Introductory Remarks. 9:05—113. Preparation and characterization

of standards for hydrogen in titanium alloy. R. M. Lindstrom, H. H. Chen-Mayer, R. L Paul

9:35—114. Imaging of neutron incoherent scattering from hydrogen in metals. Η. Η. Chen-Mayer, G. P. Lamaze, R. M. Lindstrom, D. F. R. Mildner

10:05—115. Neutron incoherent scattering as a tool to determine hydrogen concentrations and chemical state in titanium. M. Blaauw, Η. Η. Chen-Mayer

10:35—Intermission. 10:50—116. Methyl group rotations in solid

nitromethane. S. F. Trevino 11:20—117. Elemental analysis of thin films

by neutron depth profiling. G. P. Lamaze, Η. Η. Chen-Mayer



• Nuclear and Analytical Techniques in Weapons Nonproliferation Weapons of Mass Destruction Nonproliferation

B. Garrett, Presiding 9:00—118. Automatic monitoring system for

radioactive aerosols. H. S. Miley, R. J. Arthur, R. A. Warner

9:30—119. NBC verification methods at FOA, National Defense Research Establishment of Sweden. D. L. Stricklin, M. Forsman, S-Â. Fredriksson, A. Ringbom, B. Sandstrôm

10:00—120. Analysis of chemical warfare agents and their dégradants with a modular field-transportable forensic laboratory. S. M. Darby, J. C. Peterson, M. J. Heyl, M. W. Wensing

10:30—121. Analytical approaches to screening and identifying chemical warfare agents and degradation products in soil, water, and organic liquid. J. C. Peterson, D. J. Reutter, L. D. Hoffland

11:00—122. Determination of chemical warfare degradation products and toxins by mass spectrometric techniques. M. W. Wensing, S. M. Darby, J. C. Peterson, J. J. Height, L. D. Hoffland, D. J. Reutter

11:30—123. Deposition of organophos-phates in blood and brain tissue after low-level exposure. B. A. Buchholz, G. A. Keating, J. S. Vogel

Section C

Marriott Metro Center Salon C

Nucleosynthesis 2000 Novae and Supernovae

S. W. Yates, Presiding

9:00—124. Nucleosynthesis in novae. C. Ilia-dis

9:30—125. Classical novae: A laboratory for nuclear astrophysics. J. Jose, M. Hernanz

10:00—126. Hydrogen and helium burning on accreting neutron stars. H. Schatz

10:30—Intermission. 10:45—127. Probing stellar explosions with

radioactive beams at ORNL. M. S. Smith 11:15—128. Stellar weak interaction rates.

K. Langanke, G. Martinez-Pinedo 11:45—129. Zeroing in on the core-collapse

supernova mechanism. W. R. Hix 12:15—130. Nucleosynthesis in massive

stars and galactic chemical evolution. R. D. Hoffman

WEDNESDAY AFTERNOON

Section A

Marriott Metro Center Salon A

Neutron Activation Techniques and Applications Neutron Capture Prompt -^Ray Activation Techniques

E. A. Mackey, Presiding

2:00—Introductory Remarks. 2:05—131. Improvement of detection limit

and element selectivity by coincidence techniques in PGAA. P. P. Ember, T. Belgya, G. Molnâr

2:35—132. Thermal neutron capture prompt γ-ray activation analysis facility at the National Center for Neutron Research. D. L. Anderson, E. A. Mackey, G. P. Lamaze, R. M. Lindstrom, H. H. Chen-Mayer, P. J. Liposky

3:05—133. Neutron detector based on prompt neutron activation. F. Ghanbari^ A. H. Mohagheghi

3:35—Intermission. 3:50—134. Utilization of prompt γ/neutron

activation analysis in the evaluation of various counterion Nation membranes. S. K. Young, S. F. Trevino, N. Beck Tan, R. Paul

4:20—135. Elemental analysis of Portland cement using cold neutrons with internal chloride standard. H. Saleh, R. Livingston




Nuclear and Analytical Techniques in Weapons Nonproliferation Nuclear Nonproliferation

G. R. Famini, Presiding 2:00—136. In situ monitoring of fission prod

uct gases from nuclear reactors, medical releases, and nuclear weapons tests at environmental concentrations. W. R. Schell, M. J. Tobin

2:30—137. Determination of required instrument characteristics for on-stack stable noble gas monitoring. W. S. Charlton, W. D. Stanbro, B. L. Fearey

3:00—138. Plutonium isotopic ratios determined using laser-induced breakdown spectroscopy (LIBS). C. A. Smith, M. A. Martinez, D. K. Veirs

3:30—139. Ultrasensitive analysis of Pu by resonance ionization mass spectrometry (RIMS). J. V. Kratz, C. Gruning, G. Huber, G. Passler, N. Trautmann, A. Waldek, K. Wendt

4:00—140. 236U analysis by accelerator mass spectrometry for nuclear safeguards. M. A. C. Hotchkis, R. Hutchings, C. Tuniz

4:30—141. Metal mesh sampling for glow discharge optical and mass spectrometry. R. W. Shaw, C. M. Barshick, D. H. Smith, J. M. Ramsey


Nucleosynthesis 2000 Supernovae

A. E. Champagne, Presiding 2:30—142. Presolar grains from meteorites:

New window to the stars. E. K. Zinner 3:00—143. Isotopic structures in meteorite

grains of presolar origin: Records of nucleosynthesis processes in stars. U. Ott

3:30—144. Evidence for the accelerated expansion of the universe based on type la supernovae. G. Goldhaber

THURSDAY MORNING


Neutron Activation Techniques and Applications Neutron Activation Analysis Applications

R. R. Greenberg, Presiding 9:00—Introductory Remarks. 9:05—145. Determination of heterogeneity of

airborne metals in Baltimore, Md., by INAA. P. B. Maciejczyk, J. M. Ondov

9:35—146. Determination of gas/particle partitioning of intentional atmospheric tracers during coal combustion using radiochemical methods. J. Terry, S. Heller-Zeisler, J. M. Ondov

10:05—147. Identification of rare-earth element signatures in automobile emissions using INAA. M. E. Kitto

10:35—Intermission. 10:50—148. NAA quality control of actinium-

225 for medical applications. R. A. Boll, D. C. Glasgow, S. Mirzadeh

11:20—149. Tracing trade: Middle Eastern obsidian artifact and source analysis by INAA. M. J. Blackman


JULY 24, .2000 C&EN 1 0 9

ieaborg Education Legacy

:30—93. Seaborg education legacy. R. J.

NUCL/ORGN/TECHNICAL PROGRAM


Nuclear and Analytical Techniques in Weapons Nonproliferation Antiterrorism, Arms Control, and Nonproliferation

D. J. Reutter, Presiding 9:00—150. Differential-phase fluorimetry

method for locating land mines. F. V. Sloop Jr., R. T. Dabestani, G. M. Brown

9:30—151. Portable neutron and γ-ray radiation search tool for illicit trafficking and nonproliferation applications. R. Seymour, T. W. Crawford III, M. Bliss, R. A. Craig

10:00—152. Emergency preparedness resources and other nuclear defense research at FOA Umeà. D. L. Stricklin, K. Lidstrom, J. T. Nylen

10:30—153. Gadolinium and boron-loaded silicone rubber scintillators. G. M. Brown, Z. W. Bell, C. H. Ho, F. V. Sloop Jr.

11:00—154. Sol-gel approach to neutron detectors. S. Dai, R. Makote, A. Stephan, S. A. Wallace, L. F. Miller

THURSDAY AFTERNOON


Neutron Activation Techniques and Applications Neutron Activation Analysis Applications

J. M. Ondov, Presiding

2:00—Introductory Remarks. 2:05—155. Development of a radiochemical

neutron activation analysis procedure to measure sulfur in steels. R. L. Paul

2:35—156. Determination of ion-implanted antimony in semiconductor silicon by neutron activation analysis. A. Berger, K. Ecker

3:05—157. Digital high-count rates high-counting efficiency short-time neutron activation analysis. S. S. Ismail

3:35—Intermission. 3:50—158. Role of neutron activation analy

sis in the development and certification of ΝI ST complex-matrix Standard Reference Materials. R. R. Greenberg

4:20—159. Determination of homogeneity in reference materials by INAA. R. Zeisler



Additional Aspects of Nuclear Science D. S. Brenner, Organizer, Presiding 2:00—160. Seymour Katcoff: Inspiration for

summer students. S. S. Markowitz 2:10—161. Neutrons, protons, and my inter

actions with Seymour Katcoff. T. E. Ward 2:30—162. Chaos and its possible underpin

nings for quantum mechanics. W. C. McHarris

163. Withdrawn. 2:50—164. In vivo radionuclide generators:

Pb-212/Bi-212 and Ac-225/Bi-213 systems. S. Mirzadeh, S. J. Kennel, M. W. Brechbiel

3:10—165. Tracer studies of aqueous-phase oxidation of sulfur dioxide in clouds. L. Hu-sain

3:30—166. Novel application of a radioactive tracer technique to semiconductor lithography. F-H. Ko

ORGN

DIVISION OF ORGANIC CHEMISTRY L. McElwee-White, Program Chair



SOCIAL EVENTS: Social Hour, Sun Reception, Mon. Tue BUSINESS MEETING: Sun

SUNDAY MORNING


Higher-Order Cycloadditions in Synthesis J. H. Rigby, F. G. West, Organizers F. G. West, Presiding 8:30—Introductory Remarks. 8:35—1. Photocycloadditions of 2-pyridones:

Beyond the photodimer. S. M. Sieburth 9:15—2. Transition-metal-catalyzed [4+2+2]

homo Diels-Alder reactions of norboma-diene and related bicyclic, homoconjugat-ed dienes. J. K. Snyder

9:55—3. Samarium(ll) iodide promoted annulation reactions. G. A. Molander

10:35—4. Intramolecular 4+3 cycloadditions: Aspects of stereocontrol in the synthesis of cyclooctanoids. M. Harmata, P. Ras-hatasakhon

11:15—5. Multicomponent higher-order cycloadditions in synthesis. J. H. Rigby


Total Synthesis of Complex Molecules Κ. Μ. Brummond, Presiding 8:00—6. Synthesis of bergenin and deriva

tives. C-J. Li, X-G. Hua 8:20—7. Template-directed C-H insertion:

Progress toward the synthesis of the immunosuppressant mycestericin D. D. J. Wardrop, J. Zhang

8:40—8. Total synthesis of (+)-prelaureatin. M. T. Crimmins, E. A. Tabet

9:00—9. Studies toward the synthesis of contignasterol: Functionalization of the steroidal Α,Β-ring system. C. Rogers, Y. Shen, D. Burgoyne, E. Piers

9:20—10. Progress toward the synthesis of phomactin. R. L. Halcomb, N. C. Kalian, P. J. Mohr

9:40—11. Progress toward the total synthesis of /V-methylwelwindolinone C isothiocy-anate. H. Deng, J. P. Konopelski

10:00—12. Studies directed toward the total synthesis of (+)-leucascandrolide A. J. L. Leighton, K. R. Hornberger, C. L. Ham-blett, J. G. Allen

10:20—13. Total synthesis of tamandarin B. D. J. Richard, B. Liang, P. Portonovo, M. M. Joullié

10:40—14. Total syntheses and biological investigations of tamandarin compounds. B. Liang, P. Portonovo, M. D. Vera, D. J. Richard, M. S. Leonard, M. M. Joullié

11:00—15. First-generation total synthesis of spirotryprostatin Β and related studies. H. Wang, A. Ganesan

11:20—16. Formal synthesis of mycoticin A using carbonylation methodology. J. L. Leighton, S. D. Dreher

11:40—17. Progress toward the asymmetric synthesis of (+)-allopumiliotoxin 267A. D. L. Comins, S. Huang


Photochemistry and Electron Transfer D. E. Falvey, Presiding 9:00—18. Fluorescent chemosensor for lan-

thanide ions. W-S. Xia, R. H. Schmehl, C-J. Li

9:20—19. Electrochemical generation of low-valent lanthanides. J. D. Parrish, R. D. Little

9:40—20. Fluorenone, anthraquinone, and phenothiazine labeled oligodeoxynucleo-tides: Redox probes DNA-mediated charge-transfer studies. M. T. Tierney, M. W. Grinstaff

10:00—21. Synthesis of crossed [2+2] pho-toadducts: A novel approach to the synthesis of bridged bicyclic alkenes. M. T. Crimmins, Ε. Β. Hauser

10:20—22. Photochemically removable protecting groups based on covalently linked electron donor-acceptor systems. K. Lee, D. E. Falvey

10:40—23. Laser flash photolysis studies on the splitting of thymine oxetanes: Implications for the mechanism of the (6-4) pho-toproduct photolyase. A. Joseph, D. Falvey

11:00—24. Experimental determination of a singlet-triplet energy gap for a stable nitre-nium ion. S. P. Mcllroy, D. E. Falvey

* RNA as a Drug Target cosponsored with Division of Medicinal Chemistry (see page 102)

SUNDAY AFTERNOON


Higher-Order Cycloadditions in Synthesis J. H. Rigby, Presiding 1:30—25. [4+3] Oxyallyl cycloadditions in

natural product synthesis. J. K. Cha 2:10—26. New cobalt-mediated seven-

membered ring synthesis: Convergent [3+2+2] allyl/alkyne cycloadditions and [5+2] cyclopentenyl/alkyne ring expansion reactions. J. M. Stryker, T. L. Dzwiniel, N. Etkin, C. M. Older

2:50—27. Toward the ideal synthesis: The design and development of new transition-metal-catalyzed cycloadditions. P. A. Wender

3:30—28. New cycloadditions of cyclobuta-diene: Applications in total synthesis. M. L. Snapper

4:10—29. Cyclooctanoid construction using [4+3] and [4+4] cycloadditions. F. G. West



Total Synthesis of Complex Molecules P. DeShong, Presiding 1:00—30. Studies directed toward the total

synthesis of halichlorine. K. S. Feldman, Κ. Μ. Masters

1:20—31. Rhodium carbenoid-induced tandem cyclization-cycloaddition approach toward the synthesis of pseudolaric acid A. P. Chiu, B. Chen, K. F. Cheng

1:40—32. Expeditious total syntheses of 5-oxosilphiperfol-6-ene and silphiperfol-6-ene. T. J. Reddy, V. H. Rawal

2:00—33. Progress toward the synthesis of schweinfurthins A and Β. Ε. Μ. Treadwell, D. F. Wiemer

2:20—34. Studies of the total synthesis of formamicin. N. A. Powell, W. R. Roush

2:40—35. Total synthesis of (+)-rottnestol and synthetic studies toward the raspail-ols. M. A. Rizzacasa, I. R. Czuba

3:00—36. Potent and safe sulfone analogs of the hormone 1a,25-dihydroxyvitamin D3. G. H. Posner, K. R. Crawford


3:20—37. Efforts toward the total synthesis of microcystin LR. J. R. Costerison, K. L. Rinehart

3:40—38. Synthesis and structure determination of callipeltin B. M. A. Lipton, N. T. Hanshaw, A. G. Benson, J. A. Kowalski, E. Kogut, R. L. Ferguson, S. R. Brunette, C. M. Acevedo, E. Alvira

4:00—39. Studies toward an enantiospecific total synthesis of the martinella alkaloids. C. J. Lovely, H. Mahmud, V. Badarinarayana

4:20—40. Synthetic access to unique biologically active analogs of phorboxazole A. T. M. Hansen, M. M. Engler, F. Ahmed, R. D. Cink, C. S. Lee, C. J. Forsyth


Materials, Devices, and Switches R. G. Weiss, Presiding 1:30—41. Light-driven molecular switches

and unidirectionally rotating motors. Ε. Μ. Geertsema, N. Koumura, B. L. Feringa

1:50—42. Acid-catalyzed ring-closing reaction of a novel bisthienylquinone switch. X. Deng, L. S. Liebeskind

2:10—43. New small-molecule glucose transducers based on naphthalimide dyes. D. R. Cary, K. E. O'Day, A. J. Bowers, N. P. Zaitseva, C. B. Darrow, S. M. Lane, T. A. Peyser, J. H. Satcher, A. M. Heiss, D. Vachon

2:30—44. π-Switches based on dimethyl-dihydropyrene macromolecules: Photo-chromic materials for molecular devices. Z-Q. Wang, M. J. Marsella, R. H. Mitchell

2:50—45. Chemistry of single-wall carbon nanotubes. P. J. Boul, M. J. O'Connell, L. Ericson, C. B. Huffman, C. Kuper, K. Smith, D. T. Colbert, R. E. Smalley

3:10—46. Two approaches to highly conjugated materials from enediynes. J. E. Anthony, M. Gallagher, C. A. Landis

3:30—47. Helicinocyanines: A new class of phthalocyanine analogs. B. K. Mandai, T. Sooksimuang

3:50—48. Chemical and electrochemical investigations of poly(naphthodithiophene)s: A new class of electroactive material. J. D. Tovar, T. M. Swager

Grand Hyatt Farragut Square



Poster Session Asymmetric Reactions, Total Synthesis, Methodology, and Process R&D

L. McElwee-White, Presiding 8:00-10:00 49. lr(l)/ln-PyBOX catalyzed highly enantio-

and diastereoselective reductive aldol reaction. C. Zhao, S. J. Taylor, M. O. Duffey, J. P. Morken

50. New chiral Lewis acid catalysts for Diels-Alder reaction. R. Graham, A. V. Malkova, D. A. D. Armour, P. Kocovsky

51. Stereoselective route to the pentacyclic frames of arisugacin A and territrem B. L. R. Zehnder, R. P. Hsung, J. J. Wang

52. Conjugate addition of diethylzinc to α,β-unsaturated lactones catalyzed by copper-phosphorus complexes. A. S. C. Chan, M. Yan, Z-Y. Zhou

53. Convenient synthesis of water-soluble tri-arylphosphines from red phosphorus and aryl fluorides. T. L. Schull, S. L. Brandow, W. J. Dressick, C. George, D. A. Knight

54. Asymmetric hydrogénation of simple ketones. X. Zhang, Y. Jiang, B. Wang

55. Racemic novel buffer-mediated rearrangement. S. Niwayama

56. Reductive alkylation of aromatic amines via amidine intermediates. J. Zhang, H-M. Chang, R. R. Kane

57. Synthesis of trisubstituted olefins by selective cross-metathesis. A. K. Chatter-jee, J. P. Morgan, R. H. Grubbs

58. Rearrangement of methylenecamphor: Remarkably clean access to a brominated derivative of the unnatural fenchyl system. K. A. Monk, A. A. Thomas, S. Abraham, S. Lee, C. M. Garner, E. Sappenfield, D. Ellis

110 JULY 24, 2000 C&EN

59. Synthesis and evaluation of arylboronic acids as amidation catalysts. R. Latta, G. Springsteen, B. Wang

60. Stereospecific cyclization of benzoyl aziridines derived from isoprenoid alcohols. R. M. Coates, S. Corey, R. S. Mohan, S. A. Tymonko

61. Synthesis of highly potent second-generation taxoids through effective kinetic resolution coupling of racemic β-lactams with baccatins. S. Lin, X. Geng, C. Qu, R. Tynebor, D. Gallagher, I. Ojima

62. Synthesis of 2,3-disubstituted indoles. A. R. Kennedy, J. D. Rainier

63. Nitroacrylates in the Diels-Alder reaction: Applications to the synthesis of a-chiral ketones and β-amino acids. D. Orton, P. G. Steel, M. E. Bunnage

64. Tandem chain extension Reformatsky reaction. S-J. Lai, C. K. Zercher

65. Utilization of sulfur species in indium-promoted additions to carbonyls in an aqueous environment: Formation of ep-oxyalkynes and enediynes. T. M. Mitzel, K. Jendza

66. New and efficient routes to amino/aza-sugars and their derivatives. T. Wang, S. Lin, X. Wu, X. Geng, I. Ojima

67. Palladium(0)-catalyzed modification of oligonucleotides during automated solid-phase synthesis. S. I. Khan, M. W. Grinstaff

68. Preparation of heterocycles via internal electrophilic aromatic substitution reactions of amidoacroleins. J. R. Fuchs, R. L. Funk

69. Facile synthesis of saturated eight-membered ring lactones. K. R. Buszek, Y. Jeong, N. Sato, P. C. Sill, P. L. Muiho, I. Ghosh

70. Green synthesis: Ionic liquids and the Stille reaction. S. T. Handy, X. Zhang

71. Introduction of perfluoroalkyl groups via lithium-exchange reaction: Synthesis of polyfluorinated tertiary alcohols. S. H. Stickley, C. R. Perry, S. A. Khan

72. Mild and selective amidation of monoester and diester. Z. Guo, E. Dowdy, W-S. Li, R. Polniaszek

73. Mechanistic study of the retention and inversion of configuration in the Mitsunobu reaction. P. DeShong, C. Ahn

74. Arylation of allylic benzoates by palladium-catalyzed cross coupling with hypervalent siloxane derivatives and applications to stereoselective and enantiose-lective synthesis. P. DeShong, R. Correia, S. Bogaczyk

75. Approaches to the synthesis of function-alized pyran derivatives via Lewis acid assisted ketal reduction. P. DeShong, S. Bogaczyk, M-R. Brescia, Y. C. Shimshock

76. 4-Halo-3-methyl-2-butenyl phenyl sulfide as a chain extension unit for polyene syntheses. S. Koo, M. Ji, H. Choi, J. Ko, M. Kee

77. Facile synthesis of BINOL in the absence of solvent. B. E. Love, R. Bills

78. Study of intermolecular and intramolecular Horner-Wadsworth-Emmons olefina-tion of substituted 5-(diethoxy-phosphor-yl)-4-oxo-/V-acylpiperidines. D. L. Comins, C. G. Ollinger

79. Phenylboronic acid facilitated selective reduction of aldehydes by tributyltin hydride. H. Yu, B. Wang

80. Reversing the polarity of enol ethers: An anodic route to the formation of heterocycles. A. C. Sutterer, K. D. Moeller

A CataUsis



• Environmental M Materials * Pharmaceuticals & Lite

Sciences


81. New, "indirect approach" to arylisothiocy-anates and its application to the synthesis of potential irreversible HIV integrase inhibitors. X. Zhang, Y. K. Lee, N. Neamati, Y. Pommier, T. R. Burke Jr.

82. Simple and efficient synthesis of acetates. G. Sambasivam, M. Sridharan, G. Kodange, A. Sarkar, S. Rao

83. Chiral O- and S-silyl ketene acetals: Lewis acid mediated reaction with peroxy-acetals and acetals. P. H. Dussault, T. K. Trullinger, S. Cho-Schultz

84. Convenient synthesis of 4-hydroxyin-doles. N. K. Harn, B. A. Anderson, R. D. Miller, E. Plocharczyk

85. Triethylborane-mediated conjugate radical addition of primary iodide to α,β-unsaturated acids. B. Wu, B. A. Avery, M. A. Avery

86. Reaction of trifluoromethylsulfenyl chloride with norbornene. S. Munavalli, R. K. Rohrbaugh, G. W. Wagner

87. Unusual hydroboration of 2-methylheptene with 9-BBN. S. Munavalli, F. R. Longo, R. K. Rohrbaugh, L. L. Szafraniec, S. Pleva, G. W. Wagner, H. D. Durst

88. Unusual methylene insertion reactions. S. Munavalli, R. K. Rohrbaugh, G. W. Wagner, H. D. Durst, F. R. Longo

89. Reaction of oamino aryl carboxylic acids with Grignard reagents: The remarkable effect of amino protecting groups on ketone formation. E. A. Terefenko, P. Zhang, J. Slavin

90. 0-(Acridinium)hydroxylamine: A new reagent for the preparation of chemilumines-cent conjugates. J. Grote, M. Adamczyk, P. G. Mattingly, Y. Pan

91. First preparation of α-functionalized ben-zylamine. D-S. Shin, S-D. Cho, H-J. Kim, C. Ahn, J. R. Falck

92. Highly efficient preparations of oc-formyl-oxy and α-acetoxy ketones. J. C. Lee, J-H. Choi, Y. S. Jin

93. Selective deprotection of various benzyl ethers using CrCI2/Lil. D. K. Barma, J. R. Falck, R. Baati, C. Mioskowski

94. Synthesis of new chiral-bridged tetraden-tate biferrocenes. H. Szillat, V. Snieckus

95. Enantioselective homoaldql reaction of cyclic allyl carbamates. M. Ozlugedik, J. Kristensen, D. Hoppe

96. Synthesis of trisubstituted pyridines via directed ortho metalation and their synthetic transformations. D. L. Comins, S. G. Maniar

97. Stereoselective reactions of serine-derived synthons: Applications to natural product synthesis. A. N. Hulme, K. S. Curley, C. H. Montgomery

98. Study of the Et2Zn addition to aldehydes using (R,R)- or (S,S)-1,2-diphenylethylendi-amine as ligand: An unusual catalytic system. P. J. Walsh, A. M. Costa, C. Garcia

99. Diastereoselective radical allylations of α-hydroxy ketones. S. Lavieri, E. J. En-holm

100. Novel c/s-decalin diols as ligands in asymmetric synthesis: Synthesis, metal complexation, and preliminary application. S. P. Waters, J. W. Skudlarek, M. C. Koz-lowski

101. Chiral diaza-c/s-decalins in asymmetric synthesis. X. Li, M. C. Kozlowski

102. Palladium-mediated enantioselective desymmetrization of meso-1,1-dihalo-alkenes. M. C. Willis, C. Claverie

103. Facile transformation of 3,4-disubstitu-ted 2-azetidinones to chiral 2-piperidones. H. K. Lee, J. S. Chun, C. S. Pak

104. New effectively C2-chiral pyrazoles: Possible components of asymmetric catalysts. M. Lu, J. Mou, J. Kautz, C. M. Garner

105. Asymmetric syntheses of cyclopropanes via chiral-at-carbene-ligand iron complexes. Q. Wang, F. H. Foersterling, M. M. Hossain

106. Discovery and optimization of the enantioselective reductive aldol reaction. S. J. Taylor, M. O. Duffey, J. P. Morken

107. Enantioselective desymmetrization of aminodienes using Rh-catalyzed cyclocar-bonylation reaction. P. Zhang, S-Y. Lee, I. Ojima

108. P-catalyzed asymmetric reactions. X. Zhang, M. Srivastava, W. Li, R. B. Grossman

109. Facile three-step synthesis of 1,2-amino alcohols using the Ellman homochiral tert-butylsulfinamide. J. C. Barrow, P. L. Ngo, J. M. Pellicore, H. Selnick, P. G. Nantermet

110. Intramolecular cyclopropanation approach to racemic methanocarbocyclic adenine nucleosides: Enzymatic resolution by adenosine deaminase. H. R. Moon, K. Habte, H. Ford Jr., V. E. Marquez

111. Intramolecular cyclopropanation approach to chiral methanocarbocyclic adenine nucleosides. H. R. Moon, V. E. Marquez

112. Enzymes in organic synthesis and the asymmetric synthesis of cc-chloro acids. L. Haughton, J. M. J. Williams

113. Synthesis and application of amino alcohol decalin ligands. P-W. Phuan, B. Ganguly, M. C. Kozlowski

114. Indium-catalyzed reactions. K. K. Chau-han, C. G. Frost, D. C. Waite

115. Stereocontrolled synthesis of 1,3-diols via asymmetric aldol-Tishchenko reactions. S. P. Miller, J. P. Morken, C. M. Mascarenhas

116. Development of concise and general routes toward optically pure five- and six-carbon β-hydroxy acids, γ-hydroxy acids, and γ-amino acids from naturally occurring carbohydrates. J. Song, R. I. Hollings-worth

117. Asymmetric synthesis of the novel H3 agonist (+)-(3fî,4/:?)-3-(4-imidazolyl)-4-methylpyrrolidine, dihydrochloride. R. Aslanian, G. Lee, R. V. Iyer, N-Y. Shih, J. J. Piwinski, R. W. Draper

118. Catalytic asymmetric hydrosilylation of ketones using mixed-ligand ruthenium complexes. C. Moreau, C. G. Frost, B. Murrer

119. Syntheses of chiral phosphoramidates and their imine derivatives: Applications as chiral auxiliaries in asymmetric syntheses. Y. Zhang, C. J. Flann

120. Novel enantioselective synthesis of cyclopropane amino acids. A. S. Demir, A. Cagir, O. Sesenoglu

121. New chiral ligand, phosphinooxathiane, for palladium-catalyzed asymmetric allyla-tion. H. Nakano, Y. Okuyama, H. Hongo

122. Total synthesis of enantiomer of indole alkaloid affinisine and approach to the total synthesis of alstophylline and macral-stonine. X. Liu, T. Wang, C. Ma, Q. Xu, J. M. Cook

123. [6+4] Tropone cycloaddition and the synthesis of CP 225,917. L. Isakovic, J. L. Gleason

124. Total synthesis of ketoether-type camp-tothecin analog Du1441 through a cascade radical cyclization. W. Du, D. Bom, D. P. Curran

125. Enantioselective synthesis of strobam-ine and its analogs. X. Zhang, P. Abraham, F. I. Carroll

126. Total synthesis of (+)-ambruticin. T. A. Kirkland, S. F. Martin, J. Colucci, M. Marx, L. Geraci

127. Studies for the total synthesis of Palau'amine. R. Dolaine, J. L. Gleason

128. Progress toward the total synthesis of CP-263,114. P. Ren, R. J. Twonsend, H. M. L. Davies

129. Progress toward the total synthesis of psorospermin. I. M. Fellows, L. H. Hurley

130. Stereoselective intramolecular acid-catalyzed cyclization reaction: Total syntheses of ring-C aromatic tricyclic diter-penoids. A. K. Ghosh


131. General approach for the synthesis of corynanthe indole alkaloids: Enantiospe-cific total synthesis of (-)-corynantheidine, (-)-corynantheidol, (+)-geissoschizine, and (-)-geissoschizol from a common intermediate. M. Berner, S. Yu, J. M. Cook

132. Novel synthetic approaches to vindoline and its analogs. J. A. Murphy, L. K. Douglas

133. Progress toward the synthesis of euni-cellin diterpenes via a [3+4] annulation reaction. G. A. Molander, J. Haas, S. C. Jeffrey

134. Progress toward the total synthesis of spongistatin 1 (altohyrtin A): Completion of the C29-C43 fragment (EF pyran rings). J. D. Katz, M. T. Crimmins, D. G. Washburn, L. F. McAtee, S. J. Kirincich

135. Asymmetric synthesis of etoposide with modularity in both the northern and southern hemispheres of the drug. S. Choi, J-H. Maeng, D. B. Berkowitz

136. Asymmetric total synthesis of isolau-rallene. K. A. Emmitte, M. T. Crimmins

137. Approach to the total synthesis of bisin-dole alkaloid-macralstonidine. S. Zhao, J. M. Cook

138. Studies toward the synthesis of a phom-actin A model. P. P. Seth, N. I. Totah

139. Studies toward the total synthesis of (+)-aldosterone. B. R. Bear, J. S. Pâmes, K. J. Shea

140. Enantiospecific total synthesis of the sarpagine indole alkaloid (+)-vellosimine as well as a study toward the total synthesis of the bisindole alstonisidine. T. Wang, J. M. Cook

141. Thermal [5+3] cycloaddition reaction: Total synthesis of jujuyane. H. Y. Lee, B. G.Kim

142. Total synthesis of (+/-)-cassiol. D. A. Gao, A. G. Schultz

143. Preparation of cryptophycin 52 using the Shi epoxidation. E. D. Moher, D. W. Hoard, V. F. Patel, B. H. Norman

144. Asymmetric hydrogénation of enamides and related C=C bond compounds. X. Zhang, W. Li, Z. Zhang, D. Xiao, J. Wald-kirch

145. Asymmetric hydrogénation of simple ketones. X. Zhang, Y. Jiang, B. Wang

146. TunaPhos and its applications in asymmetric reactions. X. Zhang, Z. Zhang, H. Qian, M. He

147. Asymmetric hydrogénation of imines and related compounds. X. Zhang, D. Xiao, Y. Zhou

148. Synthesis and some cycloaddition reactions of 2-triisopropylsilyloxyacrolein. M. Harmata, U. Sharma

149. Intramolecular 4+3 cycloadditions: Some examples of surprisingly high levels of simple diastereoselection. M. Harmata, G. Bohnert, C. L. Barnes

150. Vinyloxocarbenium ions in 4+3 cycloadditions: Bromination of an alkoxyenone, cycloaddition chemistry of the adduct, and chemistry of the cycloadducts. M. Harmata, P. Rashatasakhon

151. Synthetic studies toward the histrionico-toxin family of alkaloids. A. B. Holmes, C. J. Smith, N. J. Press

152. Synthesis of a bicyclic trans-fused poly-ether subunit. A. B. Holmes, E. A. Anderson, J. W. Burton, P. T. O'Sullivan, I. Collins

153. Cyclopropanation/thermolytic fragmentation strategy toward 7-5 ring systems. M. L. Snapper, H. L. Deak, S. S. Stokes

154. Synthesis of new pyrazolylisoxazolines via 1,3-dipolar cycloaddition reaction of bicyclic sydnone with benzyl propiolate. D. J. Jeon, J. N. Lee, H. R. Kim, Y. M. Kim

155. Synthesis of novel (Z)-/V-substituted 4-methylene-5-propy!idene-2-oxazolidinone dienes and their study in Diels-Alder cycloadditions. J. Tamariz, R. Martinez, H. A. Jiménez-Vâzquez

156. Synthesis and concerted cycloadditions of new captodative olefins N-substituted 5-alkylidene-1,3-oxazolidin-2,4-diones. J. Tamariz, A. Benavides, R. Martinez, H. A. Jiménez-Vâzquez, F. Delgado

157. Efficient, practical syntheses of 2-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-cyclopent-2-enone, a potent COX-2 inhibitor. F. Xu, D. Zhao, R. D. Tillyer, E. J. J. Grabowski, P. J. Reider

JULY 24, 2000 C&EN 1 1 1

ORGN/TECHNICAL PROGRAM

158. Preparation of α,β-unsaturated hydrazines. X. Zhang, M. Patel, C. A. Mar-yanoff, K. L. Sorgi

159. Synthesis of RWJ-53030: Results of process R&D improvements. M. E. Bos, B. J. Duffy, C. A. Maryanoff, K. L. Sorgi, S. M. Stefanick, D. G. Walker

160. Process development of oxazole-containing antioxidant ischemia candidates. J. R. Rizzo, B. A. Anderson, L. J. Heinz, R. C. Hoying, J. A. Panetta

161. Novel and scalable process to a matrix metalloproteinase inhibitor, ABT-770. R. Kurukulasuriya, S. J. Wittenberger, C-N. Hsiao, T. McDermott, D. R. Hill, A. Bailey, M. A. McLaughlin

MONDAY MORNING Section A

Convention Center Exhibit Hall Β

Poster Session Bioorganic, Combinatorial, and Solid-Phase Molecular Recognition

L. McElwee-White, Presiding 9:00-11:00 162. Design, synthesis, and biological testing

of potential antiangiogenic compounds: A study of bicyclic fumagillin analogs. T. P. Robinson, M. S. Furness, T. Ehlers, J. L. Arbiser, D. Goldsmith, J. P. Bowen

163. Development of versatile chemistry and in-process QC to produce large combinatorial libraries. P. Fantauzzi, T. Kshirsa-gar, A. Boldi, J. Dener, D. Kelly, A. Wolfe

164. Sequence similarity between APP and prion protein may suggest a common mechanism in the diseases. C. M. Yang

165. Synthesis of novel and functionalized heterocycles using acyliminium cycliza-tions. L M. Warren, P. A. Bartlett

166. Synthesis of phosphoramidate and phos-phoramidothionate inhibitors of prostate-specific membrane antigen. R. J. Ng, C. E. Berkman

167. Efficient method for large-scale synthesis of stereochemically defined, conforma-tionally constrained amino acids. X. Tang, V. A. Soloshonok, V. J. Hruby

168. Biopolymer used in the synthesis of amino acids by transamination. M. D. Le-onida, J. Kopacz, B. Aurian-Blajeni

169. Modification of natural amino acids for the study of protein folding: Multisite fluorescence energy transfer in protein GB1. O. Tcherkasskaya, A. M. Gronenbom

170. Synthetic and biosynthetic studies on macrolides antibiotics. D. M. Mufioz, T. J. Simpson, C. L Willis

171. New triphosphate analog: Nucleoside cc-P-borano, cc-P-thiotriphosphate. J-L. Lin, K. W. Porter, B. R. Shaw

172. Asymmetric acyloin condensation catalyzed by phenylpyruvate decarboxylase. Z. Guo, A. Goswami, V. B. Nanduri, R. N. Patel

173. Refining the model of protein-carbohydrate interactions. M. J. Cloninger, Ε. Κ. Woller

174. Sequence dependence in oxidative damage to polypeptides. C. M. Yang

175. Synthesis of homologs of phenylpro-panoid glycosides from Polygonum pen-sylvanicum. J-M. Campagne, A. T. Sneden

176. Synthesis of 1,4-dideoxy-4-amino-nohprimycin derivatives via dehydroamino acid as a key intermediate. K. H. Chun, J. Choi, Y. K. Pak, J. Kim, J. E. Nam Shin

177. Synthesis and structure of fluorinated Di_-phenylalanines and arylpyruvic acids. A. V. Samet, A. Y. Romanovich, A. C. Buchanan III, D. J. Coughlin, A. A. Gakh

178. Synthesis of phytosphingosine and phy-toceramide from unsaturated ester precursors. L. He, H-S. Byun, R. Bittman

179. Design, synthesis, and applications of caged site-specific DNA strand breaks. K. Zhang, J-S. Taylor

180. Tandem cyclization of phytosphingosine. H. R. Kim, S. Y. Jo, H. C. Kim, D. J. Jeon, J. H. Jung

181. Asymmetric synthesis of new indole-based cation-π donor amino acids. P. R. Carlier, P. C. H. Lam, D. M. Wong

182. Convenient synthesis of 06-alkyl and 06-aryl derivatives of 2'-deoxyguanosine as well as diaminopurine nucleosides. M. K. Lakshman, Y. Q. V. Dinh, F. N. Ngas-sa, J. C. Keeler, J. H. Hilmer

183. Synthesis of several ring-expanded nucleoside analogs containing the imidazo-[4,5-e][1,3]diazepine ring system. N. Zhang, R. S. Hosmane

184. Synthesis of a novel ring-expanded nucleoside analog containing the imidazo-[4,5-e][1,3]diazepine ring system with a guanidinocarbamoyl-substituted cyclopro-pylidene group in place of a sugar moiety. H-M. Chen, R. S. Hosmane

185. Artificial blood based on cell-free hemoglobin: Synthesis and properties of a novel cross-linking reagent, bis[2-(3-carboxy-phenoxy)carbonylethyl]phosphinic acid (m-BCCEP). K. S. Somerville-Armstrong, R. S. Hosmane, V. Mac-donald

186. Polyfunctional organic reagents for simultaneous cross-linking and oligomeriza-tion: 1,4,7,17,20,23-Hexaoxa-1,23-bis[bis-(p-carboxyphenoxycarbonylethyl)phosphin-yl]tricosane-10,14-dicarboxylic acid [bis(p-BCCEP)HOT]. T. A. Roach, H. Aynalem, R. S. Hosmane

187. Design and synthesis of phosphatase inhibitors. K. S. Rosi, J. K. Kerns, C. S. Wilcox

188. Divergent synthesis of all possible optically active regioisomers of myo-inositol tetrakisphosphate. S-K. Chung, Y-U. Kwon, C-G. Lee, B-G. Shin, Y-H. Ahn

189. Quinone methide alkylation of 2 ' -deoxyadenosine: N6-Alkylation does not involve a Dimroth rearrangement. W. F. Veldhuyzen, A. J. Shallop, R. A. Jones, S. E. Rokita

190. Synthesis of ethynyltyrosine as a potential mechanism-based inactivator. W. H. Walker IV, J. E. Friedman, S. E. Rokita

191. Is the genetic code chemical in origin? M. A. Holmes, J. D. Sutherland

192. Mechanistic studies of UDP-galacto-pyranose mutase. A. L. Marlow, M. L. Soltero, L. L. Kiessling

193. C-Linked mimics of antifreeze glycoproteins: A diphenylphosphoryl azide-mediated polymerization approach. R. N. Ben, A. V. Murphy, A. Eniade

194. Synthesis of novel mechanism-based inhibitors of insect juvenile hormone-epoxide hydrolase. R. J. Linderman, B. Fetterolf, R. M. Roe

195. Modeling of cyclohexanedione and phen-oxypropionic acid herbicide activity with acetyl-CoA carboxylase. D. W. Boerth, A. Arvanites

196. Synthesis of a benzo[b]thiophene-based vascular targeting prodrug and related antitubulin ligands. K. G. Pinney, Z. Chen, V. P. Mocharla, N. Choony, T. Strong

197. Primary and secondary H/T kinetic isotope effects on phenylalanine ammonia lyase catalyzed reaction. M. Kanska, J. Jemielity, R. Kanski

198. Enzymatic synthesis of multilabeled L-tyrosine. M. Kanska, W. Augustyniak, R. Kanski

199. Ring-closing metathesis strategies to unsymmetric sulfamide peptidomimetics. D. A. Probst, J. M. Dougherty, P. R. Hanson, J. D. Moore

200. Dihydroagarofuran sesquiterpene alkaloids from Maytenus putterlickoides. Β. Τ. Schaneberg, D. K. Green, A. T. Sneden

201. Nonactin biosynthesis: The product of nonL is an ATP-dependent CoASH ligase. J. E. Cox, R. J. Walczak, M. E. Nelson, N. D. Priestley

202. Total synthesis of polymeric 6-sulfo sialyl Lewis χ as a multivalent ligand for L-selectin. Z-Q. Yang, L. L. Kiessling

203. Chemical synthesis of furanose sugar nucleotides for the mechanistic studies of UDP-galactopyranose mutase. Q. Zhang, H-W. Liu

204. Approaches toward the synthesis of 6,6-difluoroshikimic acid. J. L. Humphreys, R. C. Whitehead, L. M. Harwood, J. M. Box

205. Higher cc-(1-fluoro)vinyl amino acids as mechanism-based enzyme inhibitors. D. B. Berkowitz, R. de la Salud-Bea, W-J. Jahng, J. M. McFadden

206. Metathesis approaches to 7-membered P-heterocycles. M. D. McReynolds, K. T. Sprott, P. R. Hanson

207. Synthesis of an isotopically labeled (+)-deoxypyridinoline. S. D. Rege, M. Adam-czyk, D. D. Johnson, R. E. Reddy

208. Synthesis of galactosylhydroxylysine and its analogs. S. D. Rege, M. Adam-czyk, R. E. Reddy

209. Total synthesis of (+)-deoxypyrrololine: A potential biochemical marker for diagnosis of osteoporosis. R. E. Reddy, M. Ad-amczyk, D. D. Johnson

210. Synthesis of immunoreagents for measurement of galactosylhydroxylysine. R. E. Reddy, M. Adamczyk

211. Bone collagen cross-links: An efficient one-pot synthesis of (+)-pyridinoline and (+)-deoxypyridinoline. R. E. Reddy, M. Adamczyk, D. D. Johnson

212. Divergent synthesis of phosphonate mimics of sugar phosphates: Effect of degree/orientation of a-fluorination on enzyme binding. M. Bose, D. B. Berkowitz, A. Desir-Chassagne, M-A. Badet-Denisot, B. Badet

213. On-column deblocking/scavenging of Fmoc protected peptide. S. Ghassemi, P. Rahn

214. Parallel purification of quaternary ammonium and pyridinium compounds by flash chromatography. S. Ghassemi, P. Rahn

215. Traceless solid-phase synthesis of iso-quinolone derivatives. W-R. Li, H-H. Chou, J. H. Yang, H-J. Hsieh, C. K. Lai

216. Solid-phase synthesis of a bacterial oligosaccharide antigen. P. H. Seeberger, L. G. Melean, W. C. Haase

217. Solid-phase library synthesis of alkoxy-prolines. A. M. Boldi, J. M. Dener, T. P. Hopkins

218. Chemistry of support-bound anthranilic acids: Synthesis of 1,4-benzodiazepine-2,5-diones. J. M. Dener, T. P. Hopkins, H. C. Hui, C. Q. Ly, S. P. Tushup, B. R. Zhang

219. Solution synthesis of quinazoline-4-one libraries: A novel application of (amino-methyl)polystyrene as scavenger for DDQ and its by-products. J. M. Dener, C. Q. Ly

220. Solution-phase synthesis of 1,2,4-oxadiazole libraries. J. M. Dener, C. Q. Ly, T. R. Kane

221. Practical, expeditious synthesis of a benzodiazepine library based on the resin combination method. E. Campian, S. J. Lee, B. Lou

222. Highly sensitive fluorescent probes for detection of carbene and oxygen transfer. M. Havranek, R. F. Moreira, A. S. Singh, D. Sames

223. Development and application of soluble polystyrene triphenylphosphine reagent. A. A. Boezio, M. K. Janes, A. B. Charette

224. Use of soluble polystyrene-supported triarylphosphine applied to the Mitsunobu reaction. M. K. Janes, A. A. Boezio, A. B. Charette

225. Synthesis of α-boc-hydrazino acid resin esters in the preparation of 1-aminohydan-toin libraries. C. L. Harris, B. E. Blass, L. J. Wilson, M. Li, J. J. Chen, K. J. Rupnik, D. E. Portlock, T. M. Burt

226. Unexpected Fmoc deprotection under alloc deprotection conditions during solid-phase synthesis. V. Kumar, J. V. Aldrich

227. Solid-supported Ugi condensation reaction using sulfonamides as amine input. E. Campian, A. Mjalli, B. Lou

228. Solution-phase parallel synthesis of ho-mosilatecan libraries by cascade radical annulation. A. E. Gabarda, W. Du, D. Bom, D. P. Curran

229. Formation of soluble amine libraries via a Mannich reaction/Hofmann elimination strategy. J. W. Tarn, J. S. Ward, T. H. Tran, B. A. Siesel, G. C. Look, M. M. Murphy

230. Solid-phase synthesis of diaryl ketones through three-component Stille coupling reaction. W. Yun, S. Li, L. Chen

231. Novel polymer-supported 2-(trialkylsilyl)-ethyl linkers: Preparation and application on solid-phase synthesis. K. Kim, B. Wang

232. Solid-phase synthesis of 3,4-dihydroquin-azolines and quinazolines. J. Zhang, B. Lou

233. Development and optimization of a solid-phase synthetic route to 1-amino-hydantoins. M. Li, L. J. Wilson, D. E. Port-lock, B. Blass, C. Harris, A. Russell


234. Noncovalent receptor libraries and co-valent capture of receptors. M. G. J. ten Cate, M. Crego Calama, P. Timmerman, D. N. Reinhoudt

235. Solid-phase synthesis of 11-hetero-steroids via the hetero [6+3] cycloaddition of fulvenes. B-C. Hong, Z-Y. Chen, W-H. Chen

236. Stereospecific self-recognition in a hydrogen-bonded system. X. Shi, J. T. Davis

237. Synthesis of a benzophenoxazinone bo-ronate as a novel fluorescent glucose sensor. J. A. Tran, J. H. Satcher, D. R. Cary, C. Zhang, M. L Trudell, A. M. Heiss, D. J. Vachon, C. Darrow, S. M. Lane

238. lodoalkynes as acidic probes of Lewis basicity by 13C NMR. N. S. Goroff, J. E. Klijn, J. A. Webb

239. Investigations into self-association of vancomycin covalent dimers using surface plasmon resonance technology. M. Adamczyk, J. A. Moore, S. Rege, Z. Yu

240. Evaluation of chemiluminescent estradiol conjugates using a surface plasmon resonance detector. M. Adamczyk, J. A. Moore, Y-Y. Chen, J. C. Gebler, D. D. Johnson, P. G. Mattingly, R. E. Reddy, J. Wu, Z. Yu

241. Effect of chain length on intramonolayer noncovalent interactions in SAMs on gold nanoparticles. A. K. Boal, V. Rotello

242. Fabrication of amphiphilic gold nanoparticles. J. M. Simard, C. L. Briggs, A. K. Boal, V. Rotello

243. Giant vesicle formation through self-assembly of complementary random copolymers. M. Gray, T. H. Galow, F. Ilhan, G. Clavier, V. Rotello

244. Development of a novel polynucleotide mimic. Y. Liu, D. G. Drueckhammer

245. Design and synthesis of a novel glucose receptor and sensor. W. Yang, D. G. Drueckhammer

246. Cavitands based on resorcin[4]arene for small molecules. K. Paek, J-Y. Cho, H-J. Lee

247. Tunable hosts: Multiple cyclodextrin hosts switched by light or metal coordination. A. Mulder, J. Huskens, D. N. Reinhoudt

248. Toward an artificial heme-binding site via porphyrin-cyclodextrin self-assembly. H. Zhou, J. T. Groves

249. Rational design of porphyrin-fullerene dyads with defined distance and orientation. G. R. Deviprasad, F. D'Souza

250. Control of host dimerization and flavin recognition via intramolecular receptor self-assembly. E. Jeoung, H. Augier de Crémiers, R. Deans, G. Cooke, V. Rotello

251. Building block. T. H. Galow, A. K. Boal, V. Rotello

252. Alignment of iptycenes in liquid crystals and stretched polymers and synthetic efforts toward related polymers. T. M. Long, T. M. Swager

253. Biomolecular recognition using self-optimizing multivalent nanoparticle receptors. C. M. Mcintosh, J. M. Simard, C. L Briggs, A. K. Boal, V. Rotello

254. Design and synthesis of the first fluorescent sensors for boric acid and boronic acids. S. Gao, W. Wang, G. Springsteen, B. Wang

255. Magnitude of π-π stacking interactions in water. M. L. Waters, M. J. Rashkin, C. D. Tatko

256. Rotaxane with a cation-binding wheel. B. D. Smith, R. Shukla

257. Diastereoselective formation of methylene-bridged glycoluril dimers. L. Isaacs, D. Witt, J. Lagona, F. Damkaci, J. C. Fettinger

258. Models for the study of collective effects in ensemble systems: An exploration of the encodement of 1-D linkage and sequence information in the organization of 2-D molecular ensembles. J. Song, R. I. Hollingsworth

259. Design, synthesis, and cation-binding properties of novel adamantane- and 2-oxaadamantane-containing crown ethers. K. Mlinaric-Majerski, G. Kragol

1 1 2 JULY 24, 2000 C&EN

Section B Convention Center Room 33

Total Synthesis and Process R&D

M. Harmata, Presiding

8:00—260. C-H bond activation of hydrocarbon segments in complex organic molecules: Total synthesis of the antimitotic rhazinilam. J. A. Johnson, D. Sames

8:20—261. Toward the enantioselective syntheses of trichlorinated marine natural products. V-A. A. Nguyen, C. L. Willis

8:40—262. Studies toward the total synthesis of a potent anticancer natural product OSW-1. W. Yu, Z.Jin

9:00—263. Total synthesis of the antitumor marine natural product bengamide B. F. R. Kinder Jr., R. W. Versace, K. W. Bair, J. M. Bontempo, P. Crews, A. M. Czuchta, Y. J. Lu, H. R. Marepalli, Y. Mou, R. D. Nemzek, P. E. Phillips, D. Roche, Z. Thaïe, L. D. Tran, A. Vattay, R-M. Wang, S. Wattanasin, L. Waykole, S. R. Weltchek, S. D. Zabludoff

9:20—264. Synthetic approaches to fasicula-rin and FR901483 via novel amidoacrolein cycloaddition reactions. R. L. Funk, J-H. Maeng

9:40—265. 1,5-Dioxaspiro[3.2]hexanes in the synthesis of the glycosphingolipid, KRN7000. A. J. Ndakala, A. R. Howell

10:00—266. Automated reaction development: A general synthesis of chiral 2-imidazolidinones. T. J. Lindberg, O. Gooding, W. Miller, E. Munyak

10:20—267. Enantioselective synthesis of β-amino esters. J. H. Cohen, A. F. Abdel-Magid, C. A. Maryanoff, F. J. Villani, H. Zhong, F. Zhang-Plasket, B. D. Kenney

10:40—268. First practical synthesis of optically pure desmethylzopiclone and determination of its absolute configuration. Y. Hong, R. P. Bakale, C. H. Senanayake, Q. K. Fang, T. Xiang, Z. Han, F. A. McCon-ville, S. A. Wald

11:00—269. Efficient large-scale process for human leucocite elastase inhibitor DMP 777 (CAS RN: 157341-41-8). L Storace, J. Fortunak, H-Y. Li, P. J. Sheeran, L. An-zalone

11:20—270. Process improvements in the production of a novel nonxanthine adenosine A1 receptor antagonist. A. Zanka, N. Itoh


Physical Organic Chemistry: Calculations, Mechanisms, and High-Energy Species S. L. Richardson, Presiding 8:30—271. Computational studies of oxo-

ester and thioester reactivity. W. Yang, D. G. Drueckhammer

8:50—272. Theoretical investigation of the photochemical Bergman rearrangement. A. E. Clark, E. R. Davidson, J. M. Zaleski

9:10—273. Why ethane has the structure it has. V. Pophristic, L. Goodman

9:30—274. Density functional-based prediction of the electronic, structural, and vibrational properties of the energetic molecule: Octanitrocubane. J. Kortus, M. R. Peder-son, S. L. Richardson

• Catalysis

• Chemistry & Computers Φ Federal & Private Sector


• Environmental M Materials it Pharmaceuticals & Life

Sciences


9:50—275. Atoms and molecules and non-classical carbocations. L. R. Schmitz, T. Dean

10:10—276. Elimination of arene ring aroma-ticity by the NH+ substituent: DFT calculations on one-, two-, and three-ring arylni-trenium ions. G. P. Ford

10:30—277. Thermolysis pathways for surface-immobilized diarylmethanes. A. C. Buchanan III, P. F. Britt, L. J. Koran

10:50—278. Application of non-steady-state kinetics to study the real deuterium kinetic isotope effect of the proton-transfer reaction of 1-nitro-1-(4-nitrophenyl)ethane with DBU. Y. Zhao, Y. Lu, V. D. Parker

11:10—279. Permanganate: A DFT study on the oxidation mechanism. T. Strassner, M. Busold

MONDAY AFTERNOON


Tetrahedron Prize for Creativity in Organic Synthesis Symposium State-of-the-Art Advances in Asymmetric Methodology

S. S. Hall, H. H. Wasserman, Organizers H. H. Wasserman, Presiding 1:00—Introductory Remarks. 1:05—280. Cooperative and noncooperative

effects in asymmetric catalysis. E. N. Ja-cobsen

2:00—281. Asymmetric hydrogénation via architectural and functional molecular engineering. R. Noyori

2:55—282. Selective oxidation of olefins. K. B. Sharpless

3:50—Award Presentation. L. Ghosez 4:00—283. Award Address (Tetrahedron

Prize for Creativity in Organic Synthesis, sponsored by Elsevier Science). Some aspects of asymmetric catalysis. H. B. Ka-gan



Proteins, Peptides, Amino Acids, and Nucleotides J. A. Shin, Presiding 1:00—284. Microwave-enhanced reactions

of oligopeptides for rapid sequence determination. A. K. Bose, M. S. Manhas, A. H. Sharma, S. Rumthao, T. M. Cattabiani, B. N. Pramanik, Y-H. Ing, P. L. Bartner, P. A. Shipkova, T. M. Chan

1:20—285. Bifunctional photoremovable protecting group: Modifications directed toward controlling peptide properties and structure. P. G. Conrad II, R. S. Givens

1:40—286. Ni(salen)-biotin conjugate for rapid isolation of reactive DNA. X. Zhou, S. E. Rokita, C. J. Burrows

2:00—287. Catalytic oxidation of biomole-cules by peroxymonocarbonate: A reactive oxygen species in biochemistry? C. A. S. Regino, H. Yao, J. V. Johnson, L. S. Nichols, T. J. Méndez, D. E. Richardson

2:20—288. Design and synthesis of enedi-yne-based sequence-specfic DNA cleaving agents. M. Wu, D. Stoermer, T. D. Tul-lius, C. A. Townsend

2:40—289. Enhanced DNA affinity and specificity by miniature, monomeric C/EBP. N. Zondlo, J. Chin, J. Montclare, A. Schepartz

3:00—290. Mechanistic studies of phosphite oxidoreductase (PtxD), a NAD-dependent dehydrogenase. J. M. Vrtis, W. A. van der Donk

3:20—291. Site-specific incorporation of ni-troxide spin labels into RNA. S. T. Sig-urdsson, T. E. Edwards

3:40—292. Minimalist helical proteins bind specific DNA sites. J. A. Shin, A. R. Lajmi

4:00—293. New synthetic approaches to unsaturated analogs of nucleosides comprising four- and six-membered rings. H-P. Guan, M. B. Ksebati, J. Zemlicka

4:20—294. Novel method for the preparation of oligonucleotide containing a site-specific incorporated "convertible" cis-syn cyclobutane pyrimidine-pyrimidine dimer. S. Nadji

Section C


Physical Organic Chemistry: Calculations, Mechanisms, and High-Energy Species

D. W. Slocum, Presiding

1:30—295. Fragmentation of alkenyl(aryl)i-odonium triflates via vinyl cations. R. J. Hinkle, E. A. Rouse, A. J. McNeil

1:50—296. Persistent carbocations from bay-region methoxy-substituted cyclopen-ta[a]phenanthrene and its derivatives: A structure-reactivity study. K. K. Laali, T. Okazaki, M. M. Coombs

2:10—301. Secondary β-deuterium isotope effects on amine basicity and their stereochemistry. C. L. Perrin, B. K. Ohta

2:30—297. Structure-reactivity relationships for addition of sulfur nucleophiles to a simple quinone methide: Resonance, polarization, and steric/electrostatic effects. M. M. Toteva, J. P. Richard

2:50—298. Photodeoxygenation of 1,2-benzodiphenylene sulfoxide: Possible source of atomic oxygen in solution. A. Greer

3:10—299. Heteroaromatic dienophiles: Theoretical study of a cascade reaction mechanism with a key step of inverse-electron demand Diels-Alder reaction. Z-X. Yu, Y-D. Wu, Q. Dang

3:30—300. Acidity of pyrimidine nucleic bases from the gas phase to solution and biological implications. M. A. Kurinovich, J. K. Lee

3:50—302. Relative rates of PdCI2 oxidation of functionalized acyclic alkenes and their correlation with alkene ionization potentials. D. J. Nelson, R. Li, C. N. Brammer

4:10—303. Unexpected dynamic behavior of the intramolecular hydrogen bonds of derivatives of guanidinobenzimidazole. A. Cammers-Goodwin, P. G. Willis

4:30—304. Experimental evidence from a conformational probe of solvation for preferential solvation at aromatic edges over faces. A. Cammers-Goodwin, H. R. Mul-la, M. D. Sindkhedkar


Sci-Mix L. McElwee-White, Presiding 8:00-10:00 55, 57, 65, 69, 71, 90, 97, 98,101, 110, 117,

126, 132, 134, 135, 138, 145, 149, 153, 161, 168, 170, 173, 179, 185, 191, 196, 202, 213, 229, 237, 238, 240, 243, 245, 248, 249, 255, 256, 259. See previous listings.

372, 374, 376, 381, 386, 387, 393, 395, 401, 405, 411, 418, 421, 424, 432, 433, 443, 449, 459, 465. See subsequent listings.

TUESDAY MORNING


Arthur C. Cope Award and A. C. Cope Scholar Awards L. McElwee-White, Organizer R. K. Boeckman Jr., Presiding 8:00—Introductory Remarks. 8:05—305. Self-amplifying sensory materi

als: The molecular wire concept. T. M. Swager

8:45—306. Synthetic and mechanistic investigations of olefin polymerization with met-allocene catalysts. J. E. Bercaw

9:25—307. Mechanisms of free-radical oxidation: New methods for lipid peroxidation analysis. N. A. Porter


10:05—308. Polyketide synthases: Destiny and free will in the biosynthesis of erthro-mycin D. E. Cane

10:45—309. Mimicking the structures and functions of DNA. E. T. Kool

11:25—310. Exploring the RNA folding landscape, one molecule at a time. D. Hersch-lag, R. Russell, X. Zhuang, L. Bartley, H. P. Babcock, I. S. Miller, S. Doniach, S. Chu



New Reactions and Methodology S. V. Malhotra, Presiding 8:00—311. Novel, reverse-Kahne type glyco-

sidation reaction: Application to the construction of unusual epipodophyllotoxin conjugates. D. B. Berkowitz, S. Choi, D. Bhuniya

8:20—312. Synthesis of bioactive oligosaccharides via alkynol cycloisomerization. K. S. Reddy, F. E. McDonald

8:40—313. Stannyl radical-mediated cleavage of π-deficient heterocyclic sulfones. S. F. Wnuk, J. M. Rios, L. A. Bergolla, S. M. Chowdhury, Y-L. Hsu

9:00—314. Stereoselective synthesis of conjugated dienes from alkynyl oxirane precursors. K. G. Pinney, D. F. Wang, R. Tanpure

9:20—315. Tandem silylformylation/allylation sequence for 1,3,5-syn-triols. J. L Leigh-ton, M. J. Zacuto

9:40—316. Regioselective deprotonations of novel allenamides and the first Pauson-Khand type reactions using heteroatom substituted aliènes. H. Xiong, R. Hsung, L-L. Wei, G. M. Golding, B. Stockwell, J. A. Mulder

10:00—317. Regioselective ortho and ben-zylic metallation of secondary and tertiary p-tolylsulfonamides: /pso-Halodesilylation, Suzuki-Miyaura cross-coupling, and ring-closing metathesis. S. L. MacNeil, C. A. L. Lane, V. Snieckus

10:20—318. Hypervalent siloxane derivatives: An alternative to Stille and Suzuki couplings. P. DeShong, C. J. Handy, M. E. Mowery

10:40—319. Improved methods for the synthesis of siloxanes. P. DeShong, A. S. Manoso, C. Ahn, A. Soheili, S. L. Hodges

11:00—320. Efficient synthesis of diacetylen-ic acids. A. Singh, D. Zabetakis

11:20—321. Development of an electron-transfer-initiated cyclization. P. E. Flo-reancig, V. S. Kumar

11:40—322. One-pot synthesis of substituted furans and pyrroles from propargylic di-thioacetals. T-Y. Luh, C-F. Lee, L-M. Yang

Section C


Combinatorial and Solid-Phase Chemistry

R. A. Ikeda, Presiding

8:00—323. Solid-phase combinatorial synthesis of quinazoline diamines. T. G. Lease, A. R. Novack, J. M. Dener, J. Ellison, P. P. Fantauzzi

8:20—324. Power ultrasound coupled with magnetic separation for the solid-phase synthesis of compound libraries. J. M. Perez, I. Sucholeiki

8:40—325. Novel ionic hydrogénation cleavage of electron-rich benzyl ethers and its application in solid-phase organic synthesis. M. Qi, N. Hébert

9:00—326. Silylated diazocarbonyls in the solid-phase synthesis of heterocycles. S. P. Marsden, P. C. Ducept, J. T. Steer, B. S. Orlek

9:20—327. Solid-phase synthesis of complex carbohydrate antigens using a novel linker. R. B. Andrade, O. J. Plante, P. H. Seeberger

9:40—328. Solid-phase synthesis of N,N'-disubstituted ureas and perhydroimidazo-[1,5-A]pyrazines via the Curtius rearrangement. Μ. Τ. Migawa, Ε. Ε. Swayze

JULY 24, 2000 C&EN 1 1 3

ORGN/TECHNICAL PROGRAM

10:00—329. Convergent synthesis of C-link-ed glycopeptides. R. N. Ben, A. A. Eniade

10:20—330. Exploiting intrasite reactions on polymeric solid support to generate libraries of C2-symmetric molecules. H. E. Blackwell, P. A. demons, S. L. Schreiber

10:40—331. Synthesis of bicyclic hydantoins on solid support. S. Lu, N. Hébert, A. Ma-hingostar

11:00—332. Enantiomerically pure linkers for solid-phase synthesis. P. Gartner, C. Schuster, Κ. Gammer, J. Broker, M. Knoll-miiller, J. Frôhlich, C. R. Noe

11:20—333. Solid-phase library synthesis of trisubstituted guanidines. A. M. Boldi, J. M. Dener, T. P. Hopkins

TUESDAY AFTERNOON


Arthur C. Cope Award and A. C. Cope Scholar Awards

D. P. Curran, Presiding

1:05—Introductory Remarks. 1:10—334. Award Address (Arthur C. Cope

Scholar Awards). Synthesis of natural and unnatural products. J. D. Winkler

1:50—335. Award Address (Arthur C. Cope Scholar Awards). Biaryl coupling: Applications to peptide chemistry and natural products synthesis. D. L. Van Vranken

2:30—336. Award Address (Arthur C. Cope Scholar Awards). New tools for bioactive ligand identification and asymmetric synthesis. J. A. Ellman

3:10—337. Award Address (Arthur C. Cope Scholar Awards). Cascade processes for heterocyclic synthesis. A. Padwa

3:50—Introductory Remarks. 4:00—338. Award Address (Arthur C. Cope

Award). Synthesis of complex marine natural products. D. A. Evans, D. Fitch



New Reactions and Methodology P. E. Floreancig, Presiding 1:00—339. Novel modifications to the

Ullmann-Goldberg reaction. R. F. Pellon Comdom, L. D. Rodés Gâlvez, R. Carras-co Velar, V. Miliân Hernandez, M. L. Do-campo Palacios

1:20—340. Catalytic enantioselective deproto-nation of meso-epoxides with a-pinene based chiral lithium amides. S. V. Malhotra

1:40—341. A/-Boc-/V-(benzotriazole-1 -ylmeth-yl)benzylamine as a 1,1-dipole equivalent in stereoselective synthesis of 4,5-disubstituted imidazolidin-2-ones. Z. Luo, Y. Fang, A. R. Katritzky

2:00—342. New ligands derived from NOBIN and their applications for metal-catalyzed reactions. X. Zhang, W. Tang, K. Koerber, X. Hu

2:20—343. Epoxidation of alkenes by bicarbonate-activated hydrogen peroxide. H. Yao, D. E. Richardson

2:40—344. Study of new tandem diamination and aminohalogenation reactions. G. Li, H-X. Wei, S. H. Kim, M. Neighbors

3:00—345. Titanium enolates of thiazolidine-thione chiral auxiliaries: Versatile tools for asymmetric aldol additions. K. Chaudhary, M. T. Crimmins

3:20—346. Regioselective synthesis of pyro-mellitate esters and chiral pyromellitates as resolving agents and duplicands. J. B. Paine III

3:40—347. Use of triisopropylsilanethiol in thiolation of triazolonophenoxyphenyl and quinoxaline halides. J. F. Okonya, Β. Μ. Anaclerio, D. M. T. Chan, K. L. Monaco, R. L. Denes, J. J. Erdei

4:00—348. α-Halo vinyl ethers and their application in organic synthesis. Z. Jin, W. Yu

4:20—349. Approach to medium-sized ring synthesis via the Pauson-Khand reaction. H. Seshadri, C. J. Lovely, B. Wayland

4:40—350. Novel tautomeric equilibrium between penta- and hexacoordinate silicon chelates. D. Kost, I. Kalikhman, O. Girsh-berg

Section C Convention Center Room 21-22

Biosynthesis, Enzyme Inhibitors and Mimetics, Saccharides, and Lipids Cosponsored with Division of Carbohydrate Chemistry S. Niwayama, Presiding 1:00—351. Unified approach to geometrical

ly and regiochemically defined halovinyl AAs: Synthesis and enzyme inhibitory properties. W-J. Jahng, R. D. L. Salud-Bea, D. B. Berkowitz

1:20—352. Fluoroketones and other analogs of acetyl-coenzyme A. J. J. Xun, D. G. Drueckhammer

1:40—353. Recent advances in coenzyme A analog synthesis. P. Mishra, D. G. Drueckhammer

2:00—354. Dimerization of natural product fragments: A new strategy for drug design. P. R. Carlier, D-M. Du, Y-F. Han, J. Liu, E. Perola, I. D. Williams, Y-P. Pang

2:20—355. Mechanistic studies of UDP-galactopyranose mutase. Q. Zhang, H-W. Liu

2:40—356. Nonactin biosynthesis: Synthesis and feeding of 13C and 2H labeled metabolic intermediates to probe the mechanism of the "nonactate" PKS. M. E. Nelson, N. D. Priestley, A. M. Derrer

3:00—357. Chemoenzymatic synthesis of a tyrosine sulfated PSGL-1 glycopeptide. K. M. Koeller, M. E. B. Smith, C-H. Wong

3:20—358. Synthesis of a potential carbohydrate vaccine to leishmaniasis. M. C. Hewitt, P. H. Seeberger

3:40—359. Synthesis of a highly branched arabinofuranosyl hexasaccharide found at the nonreducing termini of mycobacterial arabinogalactan and lipoarabinomannan. F. W. D'Souza, H. Yin, T. L. Lowary

4:00—360. Probing arabinofuranose conformation via conformationally restricted di-and trisaccharide analogs. J. B. House-knecht, T. L. Lowary

4:20—361. Synthesis and conformational studies of both methyl-4a-carba-D-arabinofuranosides and their derivatives. C. S. Callam, T. L. Lowary

4:40—362. Synthesis of spectroscopically active phospholipids. J. Hajdu, R. De-Ocampo, J. Hector, A. Pendon

TUESDAY EVENING


Physical Organic, Photochemistry, Materials, Heterocycles, Aromatics, and Metal-Mediated Reactions L. McElwee-White, Presiding 8:00-10:00 363. Photochemistry of 1-(4-methylphenyl)-

3-phenylpropan-2-one in polyethylene media: Influence of temperature, film stretching, and crystallinity on in-cage/out-of-cage reactions. U. Bhattacharjee, R. G. Weiss

364. Aminopyridines by novel coupling. C. I. Tama, D. M. Troast, G. M. Arvanitis

365. DFT approach to the regioselectivity of boldine under aromatic substitution. J. S. Gomez-Jeria, E. Sobarzo-Sânchez, B. K. Cassels

366. First Rh-catalyzed enyne isomerization and related reactions. X. Zhang, P. Cao, B. Wang

367. Methyltrioxorhenium-catalyzed oxidation of purines and deazapurines into their A/-oxides. H. Yu, Y. Jiao

368. Novel synthetic approaches to 3-substi-tuted GABA analogs. A. Osuma, A. J. Thorpe, D. Wustrow

369. Bis(azo)alkanes as methyl radical sources. C. A. Bayse, B. K. Carpenter

370. Quinonic enaminones: Synthesis of new dialkylaminovinyl and bis(dialkylaminovi-nyl) derivatives of quinones. M. Alnabary, S. Bittner

371. Synthesis of multifunctional photo-probes as CH and Ν Η activating agents. R. S. Pandurangi, U. Sharma, R. R. Kuntz

372. Exploiting phenanthrene as a carbene storage device. S. M. Lewis, S. Hernandez, S. C. Abbot, M. M. Kirchhoff, R. P. Johnson

373. Thermal rearrangements of linear polyynes through carbene and trialene intermediates: Theoretical and experimental studies. J. E. Mabry, R. P. Johnson

374. Acidity of purine nucleic bases from the gas phase to solution. S. Sharma, J. K. Lee

375. Face selectivity in the reactions of 2,4-disubstituted adamantanes. W-S. Chung, J-H. Chu

376. Application of the variable oxygen probe to the origin of the β effect for S, Se, or Te functionalities and determining relative donor abilities of C-H and C-C σ bonds. J. M. White, J. B. Lambert, M. Spiniello, S. A. Jones

377. Mechanism of decarboxylation of orotic acid and analogs: A model for orotidine 50-monophosphate decarboxylase. W. Wu, C. F. Ives, T. T. Austin, S. Gronert

378. Silylsulfonium ions: Preparation, NMR spectroscopy, and density functional theory (DFT)/IGLO studies. C. Bae, Q. Wang, G. Rasul, G. K. S. Prakash, G. A. Olah

379. Spectroscopic evidence on the existence of hypervalent silicate intermediates in fluoride-mediated azide and cyanide displacements. P. DeShong, C. J. Handy

380. Relevance of torsional effects to the conformational equilibria of 1,5-diaza-c/s-decalins: A theoretical and experimental study. B. Ganguly, D. A. Freed, M. C. Koz-lowski

381. Kinetics and mechanisms of nitric oxide dissociation from diazeniumdiolates. Κ. Μ. Davies, D. A. Wink, J. E. Saavedra, L. K. Keefer

382. Computational analysis of the competitive formation of acetals: An application to the synthesis of zaragozic acid. J. M. Goodman, S. C. Pellegrinet

383. Primary kinetic isotope effects on hydride transfer from 1,3-dimethyl-2-phenylbenzimidazoline to NAD+ analogs. I-S. H. Lee, E. H. Jeoung, Μ. Μ. Kreevoy

384. Rate and product studies for solvolyses of dimethyl chlorophosphate and dimethyl chlorothiophosphate. D. N. Kevill, J. S. Carver

385. Substrate catalysis in the lithiation of the trimethoxybenzenes (TMBs). D. W. Slo-cum, P. Shelton

386. Amine-directed DoM: A media study. D. W. Slocum, M. Timmons

387. Ab initio computational studies of conformationally restricted Cope rearrangements: First examples of fully concerted allenyl Cope rearrangements. J. A. Duncan, M. C. Spong

388. Carbon-14 kinetic isotope effects and mechanism in the debromination of cin-namic acid dibromide. M. Kanska, J. Bukowski, R. Kanski

389. Kinetic studies on the thermal cis-trans isomerization of 1,3-diphenyltriazene in aqueous solution. M. Barra, N. Chen

390. Synthesis and characterization of phenothiazine-labeled oligodeoxynucleo-tides for DNA-mediated electron-transfer studies. X. Hu, M. W. Grinstaff

391. Photolysis of α-azido acetophenone derivatives in solution and the solid state. S. M. Mandel, J. A. Krause-Bauer, A. D. Gudmundsdottir

392. Modulation of ruthenium(ll) MLCT emission by metal ions. E. U. Akkaya, H. T. Baytekin

393. Nitronylnitroxides and benzonitronylni-troxides as building blocks of organic magnetic materials. B. Esat, P. M. Lahti

394. Intra- and intermolecular electronic interactions in phthalocyanine-[60]fullerene hybrids. S-G. Liu, A. Gouloumis, A. Sas-tre, P. Vazquez, L. Echegoyen, T. Torres

395. Photochemical and electrochemical control of recognition processes: Toward a three-pole molecular switch. A. J. Goodman, V. Rotello

396. Synthesis and atropisomerism of naphthalene diimide oligomers. D-S. Choi, K. D. Shimizu


397. Synthesis of new diimide atropisomers: Precursors of shape-adaptive polymers and chiral macrocycles. C. F. Degenhardt III, K. D. Shimizu

398. Design and synthesis of electroluminescent europium complexes containing dendron-substituted diketone ligands. D. Huang, L. J. Purvis II, G. D. Phelan, X. Jiang, A. K-Y. Jen, L. R. Dalton

399. Synthesis and properties of laterally substituted mesogens. C. M. Whitaker

400. Synthetic approaches to long-chain 3-alkylquinolines. C. P. Hencken, W. M. Stalick

401. Thalidomide analogs and metabolites: Cyclic and acyclic derivatives of 2S.3S-2-/V-phthalimido(3-hydroxy)omithine. F. A. Luzzio, E. M. Thomas, W. D. Figg

402. New synthetic route to 7-(/V-substituted-amino)-2-methylquinoline-5,8-diones. D. Y. Chi, H. Y. Choi, D. W. Kim, E. Y. Yoon, D. J. Kim

403. Thermally induced cyclization of (£)-1 H-2-(2-chlorostyryl)benzimidazole derivatives: A new general route for the synthesis of benzimidazo[1,2-a]quinolines. M. Cordero, B. Castillo, V. Marcano, O. Cox

404. Photochemically induced cyclization of (£)-2-(2,3,6-trichlorostyryl)benzothiazole: Synthesis of 3,4-dichlorobenzothiazolo-[3,2-a]quinolinium chloride. M. Cordero, O. Cox, C. Garcia

405. Total synthesis of an impurity from the ABT-594 manufacturing process that possesses the unusual 2,3-dihydroimidazo-[1,2-a] ring system. J. E. Resek, P. Singam, G. Lannoye, S. Hollis, Y. Nan

406. Synthesis of benzodiazepines from 1,3-diamines and organoboronic acids. N. A. Petasis, J. C. Raber, Z. D. Patel

407. Synthesis, characterization, and computational studies of macrocyclic tetraethers and their derivatives. K. V. Kilway, S. Luo

408. Progress toward the synthesis of meth-oxy substituted canthin-6-one indole alkaloids. K. M. Czerwinski, C. Zificsak, M. Oberbeck, J. Stevens, M. S. Allen, C. Randlett, M. King

409. Routes to all six classes of porphyrins bearing 2-4 different meso substituents. P. D. Rao, D. Savithh, B. J. Littler, J. S. Lindsey

410. Synthesis and reactivity of novel electron-deficient ynamides. J. A. Mulder, C. A. Zificsak, C. J. Douglas, H. Xiong, L-L. Wei, R. Hsung

411. Cycloaromatization in the synthesis of some extended polycyclic aromatic hydrocarbons. D. M. Bowles,, J. E. Anthony

412. Dipolar, tripolar, and tricationic pyrimi-dines: Synthesis and properties of meso-meric betainium salts. A. Schmidt, M. K. Kindermann, M. Nieger

413. Inhibitors of inosine monophosphate dehydrogenase: Synthesis of nonphenolic indole analogs of mycophenolic acid. M. E. Araby, W. K. Anderson, G. Lai

414. Biphenoxyl and triphenoxyl polyradicals: Exchange coupling through an s-triazine unit. Y. Liao, P. M. Lahti

415. Chiral A/-acylpyridinium salts in organic synthesis: Model studies toward the tetracyclic core of lycolucine and dihydrolycolu-cine. D. L. Comins, C. A. Brooks

416. 2-Oxindoles from indoles with DMSO/ trifluoracetic anhydride. K. Li, D. K. Bates

417. 4-[A/,A/-(Dimethylaminomethylene)imi-no-1-(p-methoxybenzyl)imidazole-5-carboxaldehyde]: A synthon for novel analogs of coformycin. A. Reayi, R. S. Hos-mane

418. Regioselective Friedel-Crafts acylation of hydroxybenzo[£>]thiophenes. T. J. Kohn, K. Takeuchi, K. E. Nailor

419. Synthesis and some reactions of an α-lactam, 1 -triphenylmethyl-3-fert-butyl-aziridinone. I. Lengyel, V. O. Cesare, H. T. Karram

420. Synthesis and NMR spectroscopic studies of five-membered monoheterocyclic ketones, esters, and amides. C. K. Lee, J. S. Yu, J. H. Jun, H-J. Lee, Y. R. Ji

421. Series of substituted pyrazines and pyridines as precursors to energetic materials. P. F. Pagoria, G. S. Lee, A. R. Mitchell, R. D. Schmidt

422. Regio controlled synthesis of isoquin-oline-3-carboxylates. S. B. Shetzline, J. Hiebl

1 1 4 JULY 24, 2000 C&EN

423. Synthesis of tetrahydro-y-carbolines. J. H. Wynne, W. M. Stalick

424. Unexpected formation of spirolactams by reaction of fluorescein methyl ester with amines. J. Grote, M. Adamczyk

425. Rapid synthesis of oxazoles under microwave irradiation. J. C. Lee, l-G. Song, S-H. Cho

426. Deuterium exchange studies with nitro-benzoic acids in the presence of homogeneous tetrachloroplatinate (II). M. Kanska, R. Kanski

427. Optical resolution and B3LYP calculation of the lactone, 5-formyl-c/s,c/s-1,3,5-trimethyl-3-hydroxymethylcyclohexane-1-carboxylic acid lactone. H. Izumi, S. Fu-tamura

428. Microwave-enhanced Diels-Alder reaction of furans and thiophenes. Y. M. Hijji, J. Wanene, J. Fuller

429. Highly efficient synthesis of alkoxy-thiophene-containing liquid crystals via cy-clization of γ-ketoesters. M. R. Herbert, V. M. Sonpatki, A. J. Seed

430. New class of electron-withdrawing phosphine ligands. H-Q. Li, W. H. Hersh

431. New ferrocene chiral phosphine and its applications for asymmetric catalysis. X. Zhang, J. Longmire, B. Wang

432. Phosphabenzenes as electron-withdrawing phosphine ligands in catalysis. E. F. DiMauro, M. C. Kozlowski

433. Tandem cationic aza-Cope rearrange-ment/Mannich cyclization approach to FR 901483 by an anti-Bredt iminium ion. K. M. Brummond, J. Lu

434. Progress toward the synthesis of the antitumor agent, (±)-suberosenone, using an allenic [2+2+1] cycloaddition. K. M. Brummond, J. L. Kent, A. D. Kerekes

435. Regioselectivity for the metallation reactions of 3,5-dichlorobenzamides. L. M. Bradley, G. J. Javadi, T. M. Fleming, D. A. Hunt

436. Synthesis of 1,3-oxazolidines from imi-nes using metal catalysts. S-H. Lee, J-C. Lee, J. Yang, T-D. Han

437. Synthesis of azabicyclo[x.y.O]alkane amino acids by Rh-catalyzed cyclohydro-carbonylation. N. Mizutani, C-Y. Chuang, I. Ojima

438. Synthesis of fused indoles. B. C. Soder-berg, J. W. Hubbard, S. R. Rector, S. N. O'Neil

439. Os04-Mediated conversion of primary amines to nitriles. S. Gao, D. Herzig, B. Wang

440. Preparation of benzoylisoxazoles via or-ganolanthanide reagents. D. L. Piotrow-ski, D. W. Piotrowski

441. Reactions of cobaloximes with alkenyl triflates and halides as a new method for the preparation of cobalt-sp2 carbon bonds. K. A. Pickin, M. E. Welker

442. New fluorinated ligands for the rhodium-catalyzed hydroformylation of alkenes in supercritical carbon dioxide. D. Bonafoux, B. Wang, I. Ojima

443. Ni(ll)/Zn mediated chemoselective ary-lation of aldehydes: A facile synthesis of diarylcarbinols. D. K. Rayabarapu, C-H. Cheng

444. Bis(2,2'-biphenylene)stannane: A novel tin bridged spirane. N. K. Tripathy, R. A. Lalancette, P. Piotrowiak

445. Design and synthesis of novel macrocy-cle-constrained taxoids. X. Geng, M. L. Miller, S. Lin, P. Pera, R. J. Bernacki, I. Ojima

A Catalysis




Sciences

A Science & Intellectual Policies

446. New Os04-mediated C-C bond cleavage reaction leading to the formation of anthraquinone. S. Gao, W. Wang, B. Wang

447. Simple synthesis of (Z)-2-(1-trimethyl-germyl-1 -alkenyl)-1,3,2-dioxaborinane. N. G. Bhat, Z. Caga-Anan, R. Leija

448. Aziridinium ions in organic synthesis: β-Amino ester formation via the aziridinium carbonylation reaction. E. E. Burns, J. K. Brannon, M. Kaufman

449. Catalysis of aliène hydroamination reactions by titanium(IV) complexes. R. G. Bergman, J. S. Johnson

450. Copper(l)-catalyzed intramolecular cyclization reaction of 2-(2'-chlorophenyl)-ethanol to give 2,3-dihydrobenzofuran. J. Zhu, B. A. Price, S. X. Zhao, P. M. Skon-ezny

451. Oxidation of organic sulfides to sulfoxides with hydrogen peroxide catalyzed by trirutile-type solid oxide. S. Choi, K-H. Ahn, S-H. Byeon, Y-S. Byun, S-K. Moon

452. Indium-induced facile synthesis of 3-unsubstituted β-lactams. Β. Κ. Banik, A. Ghatak, F. F. Becker

453. Samarium-induced alkyl halide mediated reductive coupling of ketones. A. Ghatak, F. F. Becker, Β. Κ. Banik

454. Ruthenium/lipase catalyzed asymmetric conversion of ketones to chiral acetates under hydrogen atmosphere in ethyl acetate. H. M. Jung, J. H. Koh, M-J. Kim, J. Park

455. Synthesis of novel spirocyclic cocaine analogs using the Suzuki coupling. S. Sakamuri, C. George, J. Flippen-Ander-son, A. P. Kozikowski

456. Synthesis of aryl purine deoxynucleo-sides via a Suzuki-Miyaura cross-coupling. M. K. Lakshman, J. H. Hilmer, J. Q. Martin, Y. Q. V. Dinh, J. C. Keeler, F. N. Ngassa

457. Palladium-catalyzed synthesis of ad-ducts corresponding to the binding of poly-cyclic aromatic hydrocarbon radical cations to nucleosides. M. K. Lakshman, F. N. Ngassa, S. Y. Bae, H. Mah

458. Palladium-catalyzed C-C coupling under thermomorphic conditions. P. L. Os-burn, D. E. Bergbreiter, E. M. Sink, A. Wilson

459. Novel palladium-catalyzed synthesis of carbazolones and the formal total syntheses of several naturally occurring carba-zole alkaloids. B. C. Sôderberg, T. L. Scott

460. Suzuki arylation of 1,1-dibromo-1-alkenes: Synthesis of tetrasubstituted alkenes. M. W. Miller, A. Bauer, S. F. Vice, S. W. McCombie

461. Synthesis of 2,3-diarylindenones and polycyclic aromatic ketones via palladium-catalyzed annulation of aromatic nitriles. A. A. Pletnev, R. C. Larock

462. Facile synthesis of pyrroles and indoles via palladium-catalyzed oxidation of hydroxy-enamines and amines. Y. Aoya-gi, T. Mizusaki, M. Shishikura, T. Komine, A. Ohta

463. Synthesis of functionalized olefins by cross- and ring-closing metatheses. J. P. Morgan, A. K. Chatterjee, M. Scholl, R. H. Grubbs

464. Ruthenium-catalyzed enyne metathesis of acetylenic boronates. C-D. Graf, J. Renaud

465. Ring-closing metathesis approach toward phosphonosugars. D. S. Stoianova, P. R. Hanson

466. Rhodium(ll)-catalyzed strategies to diverse phosphonates. J. D. Moore, Κ. Τ. Sprott, P. R. Hanson

467. Ring-closing metathesis strategies to cyclic sulfamides. J. M. Dougherty, D. A. Probst, P. R. Hanson

468. Progress in the synthesis of medium-sized oxaxcycles via "tin directed" ring-closing metathesis: Application to lauren-cin. R. J. Linderman, J. Prabhakaran, S. O'Neill

469. Ring-opening metathesis polymerization approach to phosphorus-containing bioolig-omers. J. Wanner, P. R. Hanson

470. Organoboronates as templates in ring-closing metathesis. H. Yu, B. Wang


NIH Grantsmanship Workshop Panel Discussion by Experienced NIH Grantees, Peer Reviewers, and NIH Administrators

J. M. Schwab, Organizer, Presiding 8:00—Introductory Remarks. 8:10—Panel Discussion. 9:50—Concluding Remarks.

WEDNESDAY MORNING


Technical Achievements in Organic Chemistry Awards D. J. Hart, Organizer, Presiding 8:30—471. MEK inhibitors: From conception

to clinical candidate. S. D. Barrett 9:00—472. Discovery of new-generation ma-

crolide antibiotics. R. F. Clark 9:30—473. Solid supported synthesis of nov

el peptide turn mimetics. S. R. Klopfen-stein

10:00—474. Diamino benzo[£>]thiophene derivatives as a novel class of active-site directed thrombin inhibitors. T. J. Kohn, K. Takeuchi, D. L. Bailey, J. A. Bastian, J. A. Buben, A. C. Clemens-Smith, M. L. Den-ney, D. D. Giera, D. S. Gifford-Moore, R. W. Harper, L. M. Johnson, H-S. Lin, J. R. McCowan, M. E. Richett, G. F. Smith, D. J. Sail, D. W. Snyder, J. E. Toth, M. Zhang

10:30—475. Novel pyridone-based ligands for the p56lck SH2 domain. U. R. Patel, J. R. Proudfoot, R. Betageri, M. Cardozo, T. Gilmore, S. Glynn, E. R. Hickey, S. Jakes, A. Kabcenell, T. Kirrane, S. Lukas, N. Moss, R. Sharma, M. Yazdanian, P. L. Beaulieu, D. R. Cameron, J-M. Ferland, J. Gauthier, J. Gillard, V. Gorys, M. Llinas-Brunet, M. Porier, J. Rancourt, D. Wernic

11:00—476. Development of efavirenz, Sto-crin (Sustiva DMP-266), a nonnucleoside HIV-1 reverse transcriptase inhibitor. L. S. Payne, S. D. Young, L. O. Tran, C. M. Wiscount, T. A. Lyle, T. J. Tucker, W. M. Sanders, W. C. Lumma, J. R. Huff

11:30—477. Synthesis of novel phenyl ox-azolidinone antibacterial agents containing saturated and 4,5-unsaturated 4-pyridinyl, pyranyl, and thiopyranyl aryl substituents. T-J. Poel, R. C. Thomas, M. R. Bar-bachyn, W. Watt, L. A. Dolak, E. P. Seest, C. W. Ford, G. E. Zurenko


Molecular Recognition and Self-Assembly L. Isaacs, Presiding 8:30—478. Novel chiral, cage-annulated

macrocycles. A. P. Marchand, M. Takhi, V. S. Kumar, Κ. Krishnudu, Β. Ganguly, J. S. Brodbelt, M. Reyzer

8:50—479. First artificial receptor for caffeine: A new concept for the complexation of alkylated oxopurines. S. R. Waldvogel, R. Froehlich, C. A. Schalley

9:10—480. Noncovalent interactions of modified nucleobases: π-Stacking interactions and hydrogen bonding of cations, anions, and mesomeric betaines of uracil. A. Schmidt, M. K. Kindermann, M. Nieger, P. Vainiotalo

9:30—481. Hydrophobic self-assembly. L. Isaacs, D. Witt, J. C. Fettinger

9:50—482. Self-assembly of hydrogen-bonding functionalities using noncovalent synthesis. J. M. C. A. Kerckhoffs, P. Tim-merman, D. N. Reinhoudt


10:10—483. Enantioselective noncovalent synthesis of hydrogen-bonded assemblies. L. J. Prins, P. Timmerman, D. N. Reinhoudt

10:30—484. Diversity generation and chemical evolution in supramolecular libraries. P. Timmerman, D. N. Reinhoudt, M. Crego Calama

10:50—485. Coupled transition-metal ion binding and protein folding: A stability screen for virtual metalloprotein libraries. M. A. Case, G. L. McLendon

11:10—486. NMR study on the structure, selectivity, and dynamics of self-assembled nucleoside pentamer and decamer complexes. M. Cai, J. T. Davis

11:30—487. Host/guest binding of polyca-tionic derivatives of cyclodextrins with the conjugate base of phosphorus-containing and carboxylic acids. J. I. Cohen, S. Castro, R. Engel

Section C Convention Center Room 21—22

Heterocycles and Aromatics D. C. Tabor, Presiding 8:00—488. Synthesis of new heterocyclic

1 H-pyrazolo[1,5-c]-1,2,4-triazoles. M. Ka-piamba, D. R. Diehl, Q. Brouet, M. Triguel

8:20—489. Synthetic approach to cyclacene and related polyacenes. D. J. Marquardt

8:40—490. Unusual chemical shift variation observed in 15N and 1H NMR studies of sampangine and its derivatives. J. K. Zjawiony, I. Katsuyama, A. A. Khalil, D. C. Dunbar

9:00—491. Synthesis and application of 4-aryl/hetaryl azo thieno[2,3-c]isothiazole-based disperse dyes. D. W. Rangnekar, G. J. Kazemi, G. S. Shankarling, R. W. Sabnis

9:20—492. Synthesis of novel functionalized oligopyridines and their metal complexes. R-A. Fallahpour

9:40—493. Monotriazolotriazines: A correction to the product structure in the dicyandiamide-hydrazine condensation reaction. W. Koppes, H. L. Ammon, M. C. Concha, R. Gilardi, P. Politzer, Μ. Ε. Sitz-mann

10:00—494. Reactions of 2-(arylimino)-3-[/V-aryl-A/-(a-cyanoisobutenyl)]-3-methylbutane-nitriles with copper(ll) acetate: Synthesis of 1 -(a-cyanoisobutenyl)-2,2-dimethyl-1,2-dihydro-3H-indol-3-ones. K. Kim, S. Yun

10:20—495. New approach for the synthesis of chiral benzimidazolium salts and ben-zimidazole. F. M. Rivas, U. Riaz, S. T. Diver

10:40—496. Efficient and simple approach for the preparation of a series of benzo-chlorins for the treatment of cancer by photodynamic therapy. G. Li, Z. D. Grossman, T. J. Dougherty, R. K. Pandey

11:00—497. Hydroxycarbocation-π interaction: A computational and experimental study of protonation of aromatic ketones. B. van Beusichem, C. P. Viscardi, T. A. Spencer, R. Ditchfield

11:20—498. Six-membered ring annulations of corannulene. D. V. Preda, L. T. Scott

11:40—499. Stereospecific synthesis of heterocycles of hydrolytically stable deoxoar-temisinin. M. Jung

WEDNESDAY AFTERNOON


Technical Achievements in Organic Chemistry Awards D. J. Hart, Presiding 1:30—500. Newman-Kwart thermal rear

rangement of 4-methoxysalicylaldehyde as applied to the synthesis of raloxifene hydrochloride. J. A. Aikins, T. Zhang

2:00—501. Development of a process route to 1,3-propanediol and polymerization to poly(trimethyleneterephthalate) PTT polymer. K. D. Allen, P. R. Weider, J. B. Powell, D. R. Kelsey

2:30—502. Photoresist systems for use in 193-nm microlithography. G. Dabbagh

3:00—503. Enantioselective synthesis of 5-lipoxygenase inhibitor CJ-12,897. D. B. Damon, R. W. Dugger

JULY 24, 2000 C&EN 1 1 5

ORGN/PETR/TECHNICAL PROGRAM

3:30—504. Surfin' the wave: Chemical process optimization using robotics. J. S. Grimm

4:00—505.1,3-Dipolar cycloaddition of nitrile imines in the chemoselective and regiose-lective synthesis of heterocycles. L. M. Oh

4:30—506. Synthesis of fluorescein phosphates, sulfates, and fluorescein phospho-rotriesters incorporating photolabile protecting groups. J. Scheigetz, M. Gilbert, B. Roy, R. Zamboni


Asymmetric Reactions and Syntheses P. J. Walsh, Presiding 1:00—507. SN2 reaction in solid state: A

BAL2 aminolysis of an ester group. P. Ko-covsky, S. Vyskocil, M. Smrcina, V. Langer

1:20—508. Highly enantioselective allylbora-tion of ketones with β-allyl-l OR-phenyl-9-borabicyclo[3.3.2]decane. J. A. Soder-quist, K. G. Prasad

1:40—509. Systematic study of electronic effects in asymmetric hydroboration. C. M. Garner, S. Chiang, M. Nething, R. Monestel

2:00—510. Applications of c/s-decalin li-gands in asymmetric synthesis. M. C. Koz-lowski, J. W. Skudlarek, S. P. Waters, X. Li

2:20—511. Super acids as SN2 nucleophiles: Introduction of super-leaving groups with inversion of configuration. H. J. E. Loew-enthal, R. Loewenthal

2:40—512. Rapid access to enantiopure bupropion and its major metabolite by ste-reospecific nucleophilic substitution on α-ketone triflate. Q. K. Fang, C. H. Senan-ayake, Z. Han, P. T. Grover, D. Kessler, S. A. Wald

3:00—513. Chelation stereocontrol in carbamate N-protected chiral α-amino ketone reduction: Stereoselective synthesis of (1 R,2S) α-amino alcohols. R. V. Hoffman, N. Maslouh

3:20—514. Facile and highly diastereoselec-tive synthesis of 3-amino-1-bromohydrins from N-protected amino acids. R. V. Hoffman, W. S. Weiner

3:40—515. Catalytic enantioselective [2+2] cycloadditions of silyl ketenes. D. A. Evans, J. M. Janey

4:00—516. Inter- and intramolecular reactions of chiral vinylogous amides with α,β-unsaturated iminiums: A unique approach toward syntheses of pumiliotoxin C and gephyrotoxin. R. P. Hsung, L-L. Wei, H. M. Sklenicka, A. I. Gerasyuto, S. J. Degen

4:20—517. (-)-Sparteine-mediated enantioselective directed lateral metallation reactions. V. Derdau, J. Faessler, V. Snieckus

4:40—518. Chiral esters of aromatic polycar-boxylic acids or boric acid: Use as resolving agents or for resolution by "duplication". J. B. Paine III, J. A. Pierotti

Section C Convention Center Room 21-22

Molecular Recognition and Self-Assembly J. M. Schwab, Presiding 1:30—519. Bricks and mortar. A. K. Boal, F.

Ilhan, M. Gray, V. Rotello 1:50—520. Self-assembly of functionalized

dithienylcyclopentene switches in solution and on solid substrates. L. N. Lucas, J. H. van Esch, R. M. Kellogg, B. L. Feringa

2:10—521. Supramolecular fluorescent probe switched by protons to detect cesium and potassium ions mimics the function of an integrated logic gate. H-F. Ji, R. Dabestani, G. M. Brown

2:30—522. Capsule receptors based on cav-itands: Synthesis and molecular recognition. O. Middel, W. Verboom, D. N. Rein-houdt

2:50—523. Cation-templated nanoscale assemblies of calixarene-guanosine ligands. V. Sidorov, F. W. Kotch, J. T. Davis

3:10—524. Order from disorder: Self-assembly of random copolymers into higher-order systems. T. H. Galow, F. Ilhan, M. Gray, G. Clavier, V. Rotello

3:30—525. Cooperative ratiometric chemo-sensors: Pinwheel receptors with an integrated fluorescence system. T. E. Glass, J. Raker

3:50—526. Solving the "dilution problem" associated with the synthesis of "cored" den-drimers. L. G. Schultz, S. C. Zimmerman

4:10—527. Cyclodextrin dimers as receptor molecules for the development of steroid sensors. M. R. de Jong, J. Huskens, D. N. Reinhoudt

4:30—528. Large, well-defined supramolecular assemblies of adamantyl-terminated polypropylene imine) dendrimers and β-cyclodextrin. J. J. Michels, J. Huskens, D. N. Reinhoudt

THURSDAY MORNING


Asymmetric Reactions and Syntheses D. W. C. MacMillan, Presiding 8:00—529. Enantioselective synthesis of the

pyrroloquinoline core of the martinellines. J. A. Nieman, M. D. Ennis

8:20—530.Enantioselectivesynthesisofthom-asdioic acid. B. Rindone, M. Orlandi, G. Molteni, J. Sipila, G. Brunow

8:40—531. Studies on the total synthesis of dihydrocompactin: A new intramolecular Diels-Alder reaction strategy. G. Kim, T. Sammakia, M. A. Berliner, J. S. Jacobs

9:00—532. Total synthesis of a dimeric ella-gitannin, coriariin A. K. S. Feldman, M. D. Lawlor

9:20—533. Successful model study toward the chiral total synthesis of epoxybenzox-ocin sugar unit, appeared in Nogarol an-thracyclines. D. Ganguly, F. M. Hauser

9:40—534. Enantioselective construction of cyclic quaternary centers: (-)-Mesem-brine. D. F. Taber, T. D. Neubert

10:00—535. Studies toward the total synthesis of naphthyridinomycin/bioxalomycin related compounds: Stereoselective synthesis of the AB-ring system of tetrazomine. P. Wipf, C. R. Hopkins

10:20—536. Asymmetric synthesis of (R)-(+)-2-phenylpiperidine and (-)-SS20846A using D-amino β-ketoesters. F. A. Davis, B. Chao, T. Fang, J. M. Szewczyk

10:40—537. Asymmetric synthesis of (2S,-6S)- and meso-(2S,6f?)-diaminopimelic acids from enantiopure bis(sulfinimines). F. A. Davis, S. Vaidyanathan

11:00—538. Enantioselective C-C bond formation reactions in aqueous media. T-P. Loh

11:20—539. Design of diastereomeric self-inhibiting catalysts for control of turnover frequency and enantioselectivity. J. Balsells, P. J. Walsh

11:40—540. Asymmetric nucleophilic addition to vinylphosphonates. K. Afarinkia, H. Binch, I. Forristal, M. E. De Pascale


Metal-Mediated Reactions and Syntheses P. A. Evans, Presiding 8:00—541. Heck and allylic substitution reac

tions catalyzed by novel dendrimer-bound Pd(0) complexes. T. Mizugaki, M. Ooe, M. Murata, K. Ebitani, K. Kaneda

8:20—542. Novel palladium-catalyzed synthesis of quinoxalines and quinoxalinones. B. C. Sôderberg, J. M. Wallace, J. Tamariz

8:40—543. Zinc-mediated and palladium-catalyzed C-C bond formation in air and water. C-J. Li, S. Venkatraman

9:00—544. Application of the intramolecular Heck reaction in the synthesis of the C/D open-ring macrocyclic analog of LSD. B. A. Chauder, A. V. Kalinin, V. Snieckus

9:20—545. Synthesis of catechin analogs via indium chloride mediated Prins-type cy-clization. C-J. Li, J-K. Li

9:40—546. Synthesis of tetrahydropyran derivatives via indium chloride mediated tandem reaction of aldehydes and allylstan-nanes. C-J. Li, G. S. Viswanathan, X-F. Yang, J. Yang, W-C. Zhang, C. C. K. Keh, J-K. Li

10:00—547. Novel synthesis of both (£)- and (Z)-trisubstituted alkenes containing tri-methylsilylmethyl moiety. N. G. Bhat, C. P. Aguirre

10:20—548. Aziridine synthesis: Further studies on the copper-nitrene route. S. T. Handy, M. S. Czopp

10:40—549. Catalytic asymmetric cyclopro-panation on a solid support. T. Nagashi-ma, H. M. L. Davies

11:00—550. Mechanistic studies on vitamin B12 catalyzed dechlorination of chloroal-kenes. W. A. van der Donk, J. Shey, K. M. McCauley

11:20—551. Unprecedented selectivity in the cleavage of phosphonoformate diesters with tetravalent metal cations: Zr(IV), Hf(IV), Th(IV), and Ce(IV). R. A. Moss, H. Morales-Rojas

11:40—552. Transition-metal-catalyzed or-ganosulfur chemistry: A new approach to alkyne synthesis. C. G. Savarin, J. Srogl, L. S. Liebeskind


Cycloadditions, Retrocycloadditions, and Rearrangements

C. J. Lovely, Presiding

8:30—553. Inverse electron demand Diels-Alder approach toward the synthesis of staurosporinone. R. Nomak, J. K. Snyder

8:50—554. Stereocontrolled synthesis of (Z)-2-acyl-2-enals via retrocycloaddition reactions of 4,5-disubstituted-4H-1,3-dioxins: Application in the total synthesis of the cy-totoxin euplotin A. R. L. Funk, R. A. Aungst Jr.

9:10—555. Chiral anthracenes as a Diels-Alder/retro Diels-Alder template in asymmetric synthesis. A. Sanyal, J. K. Snyder

9:30—556. Mechanistic studies of a formal [3+3] cycloaddition reaction: An emphasis on diastereomeric control. M. McLaughlin, H. Shen, R. Hsung

9:50—557. Stereoselective cycloaddition reactions of 1,3-dipoles containing alkyne-metal clusters. T. F. Jamison, A. J. Skaggs, E. Lin

10:10—558. Examining the stereoselectivity of /V-phosphinoylnitroso compound cycloadditions. S. Β. King, R. W. Ware Jr.

10:30—559. Diels-Alder reactions of 4-vinylimidazoles. C. J. Lovely, H. Du, H. Wu

10:50—560. Forming five stereogenic centers in one step. C-J. Li, X-F. Yang, C. C. K. Keh, W-C. Zhang

THURSDAY AFTERNOON


Asymmetric Reactions and Syntheses M. C. Kozlowski, Presiding 1:00—561. Asymmetric synthesis of 4-aryl-2-

(benzyloxy)carbonyl-3-hydroxy tetrahydro-furans from optically active epoxides. S. L. White, S. R. Angle

1:20—562. Use of achiral ligands to convey asymmetry: Chiral environment amplification. P. J. Walsh, J. Balsells, J. M. Betan-cort, G. J. Gama

1:40—563. Enantioselective organocatalysis: A new and broadly useful strategy for enantioselective synthesis using organic catalysts. D. W. C. MacMillan, C. J. Borths, W. S. Jen, J. S. Wiener, N. A. Paras, R. M. Wilson

2:00—564. Discovery of catalysts for kinetic resolutions. E. R. Jarvo, C. A. Evans, G. T. Copeland, S. J. Miller

2:20—565. Selectivity enhancement in the Keck catalytic asymmetric allylation through the use of additives. M. J. Mitton-Fry, T. Sammakia, G. Kim

2:40—566. Asymmetric catalysis by 3-mono-and 3,3'-disubstituted chiral 1,1'-BI-2-naphthol derivatives. L Pu, D. Simonson, Q-S. Hu, D. Moore, W-S. Huang, A. Troc-chia

3:00—567. Development of catalysts for the asymmetric aldol-Tishchenko reaction. C. M. Mascarenhas, S. P. Miller, J. P. Morken


3:20—568. Rhodium-catalyzed enantioselective reductive aldol reaction. M. O. Duffey, S. J. Taylor, J. P. Morken

3:40—569. New generation of versatile asymmetric catalysts derived from polyfluo-robinaphthol ligands. A. K. Yudin

4:00—570. Recent advances of asymmetric catalysis. X. Zhang

4:20—571. Novel asymmetric catalytic C-C bond forming reactions. X. Zhang, P. Cao, B. Wang

4:40—572. Highly efficient enantioselective hydrogénation of imines. X. Zhang, D. Xiao


Metal-Mediated Reactions and Syntheses N. G. Bhat, Presiding 1:00—573. Generation and trapping of iso-

benzofurans from coupling of Fischer car-bene complexes and o-alkynylbenzoyl derivatives. D. Jiang, J. W. Herndon

1:20—574. Synthesis of multiannulated compounds via coupling of conjugated enediynes with carbene complexes. Y. Zhang, J. W. Herndon

1:40—575. Dodecacarbonyltetracobalt catalysis in the thermal Pauson-Khand reaction. M. E. Krafft, L. V. R. Bonaga

2:00—576. Cobalt-mediated cycloisomeriza-tion of 1,6-enynes: A formal 5-endo-d\g cy-clization. J. L. Gleason, R. Dolaine, A. Ajamian, W. Felzmann

2:20—577. Calixarene-based phosphites in transition-metal-catalyzed C-C bond formation. P. C. J. Kamer, F. J. Parlevliet, P. W. Ν. Μ. van Leeuwen

2:40—578. Enantiospecific and regioselec-tive rhodium-catalyzed allylic alkylation: Diastereoselective approach to quaternary carbon stereogenic centers. P. A. Evans, L. J. Kennedy

3:00—579. Regioselective and enantiospecific rhodium-catalyzed intermolecular allylic etherification with o-substituted phenols. P. A. Evans, D. K. Leahy

3:20—580. Tandem rhodium-catalyzed allylic amination/Pauson-Khand: Diastereoselective construction of azabicycles. J. E. Robinson, P. A. Evans

3:40—581. Temporary silicon-tethered ring-closing metathesis: A new approach to polycyclic ethers. G. P. Buffone, P. A. Evans

4:00—582. Palladium-catalyzed C-C bond formation in solid phase on automated synthesizer with Ares reactor. H. Saneii, F. Rong

4:20—583. Facile palladium-catalyzed hy-drophosphorylation of alkenes and 1,3-dienes. M. Tanaka, F. Mirzaei, L-B. Han, C-Q. Zhao

4:40—584. Radical C-C and C-heteroatom coupling reactions via organoboranes. P. I. Dalko, C. Cadot, J. Cossy

PETR

DIVISION OF PETROLEUM CHEMISTRY J. B. Kimble, Program Chair

SUNDAY MORNING


General Session J. B. Kimble, Organizer 8:30—Introductory Remarks. 8:35—1. Hydrodesulfurization kinetics of

dimethyldibenzothiophenes from a Mexican diesel feedstock. C. M. Cortés-Romero, G. C. Laredo-Sanchez, J. L. Cano-Dominguez, J. A. de los Reyes-Heredia

116 JULY 24, 2000 C&EN

9:05—2. Relation between hydrodesulfuriza-tion activity and order of sulfidation in NiW-hydrotreating catalysts supported on Si02. G. Kishan, L. Coulier, V. H. J. D. Beer, J. A. R. V. Veen, J. W. Niemantsver-driet

9:35—3. Biodesulfurization of light gas oil by recombinant Pseudomonas strains. K. Watanabe, K-l. Noda, Y. Ohta, K. Maru-hashi

10:05—Intermission. 10:20—4. Thermal reactivities and chemical

compositions of iron vacuum residue and its SFEF asphalts. R. Shen, C. Liu

10:50—5. Emission characteristics of a Navistar 7.3-L turbodiesel engine fueled with blends of oxygenates and diesel. Ε. Μ. Chapman, S. V. Bhide, A. L Boehman, P. Tijm, F. Waller

11:20—6. Paraffin dehydrocyclization over Pt-Sn/alumina-zirconia. L. Diaz, T. Vi-veros-Garcia, L. Diaz-Garcia


Tutorial: Chemistry and Refining of Petroleum J. G. Speight, Organizer 8:30—Introductory Remarks. 8:40—7. Constituents and the structure of

petroleum. J. G. Speight 9:30—8. Metals and heteroatoms in heavy

crude oils. J. G. Reynolds 10:20—9. Automatic kinetic model building in

the context of thermal and catalytic process chemistry. M. T. Klein

À Catalysis and Plasma Technology cosponsored with Catalysis & Surface Science Secretariat (see page 59)


SUNDAY AFTERNOON


General Session

J. B. Kimble, Organizer

1:30—Introductory Remarks. 1:35—10. Synergistic effects of Fe/MgO on

low-temperature catalytic oxidation of hydrogen sulfide to sulfur by wet process. K-D. Jung

2:05—11. Support and additive effects on the catalytic activity and properties of molybdenum sulfide catalysts. R. Zhao, C. Liu, C. Yin, R. Shen


Tutorial: Chemistry and Refining of Petroleum J. G. Speight, Organizer 1:15—12. Petroleum phase behavior and

fouling. I. A. Wiehe 2:05—13. Upgrading: Current processes of

the next-generation processes. J. G. Speight

A Catalysis




Sciences


2:55—14. Upgrading hydroprocessing. G. E. Dolbear

3:45—15. Instability and incompatibility. G. W. Mushrush


A Catalysis and Plasma Technology cosponsored with Catalysis & Surface Science Secretariat (see page 59)


MONDAY MORNING Convention Center Room 15

Residuum/Asphaltene/Coke/Solids Characterization in Petroleum Processing I. A. Wiehe, J. G. Reynolds, Organizers 8:30—Introductory Remarks. 8:40—16. Size exclusion chromatographic

analysis of crude oils, petroleum residues, and its soluble fractions. B. K. Sharma, S. L. S. Sarowha

9:10—17. Comparative study on the determination of average molecular weights of chromatographic fractions of a Venezuelan heavy crude. A. Mendez, J. Espidel, P. Salazar, E. Cotte

9:40—18. Characterization of high-boiling-point Athabasca bitumen fractions and their hydrocracked products. P. Rahimi, T. Gentzis, H. Dettman, C. Khulbe

10:10—Intermission. 10:25—19. Thermodynamic and structural

properties of asphaltenes from molecular dynamics simulations. M. S. Diallo, J. L. Faulon, A. Strachan, M. Sarbar, W. A. Goddard III

10:55—20. Use of velocity of sound in estimation of thermodynamic properties of heavy reservoir fluids and petroleum mixtures. M. R. Riazi, Y. A. Roomi

11:25—21. Trace-metal markers for petroleum source characterization. M. S. El-Gayar, E. A. Abdel-Fattah, A. O. Barakat, M. A. Abu-Elgheit

11:55—22. Study on petroleum residuum-aromatic/cycloalkyl-ring condensation by UV spectroscopy. A. Guo, H. Zhang, Z. Wang, G. Que



Residuum/Asphaltene/Coke/Solids Characterization in Petroleum Processing I. A. Wiehe, J. G. Reynolds, Organizers 1:30—Introductory Remarks. 1:35—23. Coking of FCC decant oils in batch

and flow reactors. M-G. Yang, G. Wang, S. Eser

2:05—24. Enhanced microcarbon tester and other ideal laboratory cokers. I. A. Wiehe

2:35—25. Characterization of initial coke deposits on M0O3/AI2O3 catalyst by temperature-programmed oxidation. K. Matsushita, A. Stanislaus, R. Koide, A. Al-Barood, F. Al-Jasem, S. Fukase, M. Absi-Halabi

3:05—Intermission. 3:20—26. Characteristics of Athabasca bitu

men fractions using fluorescence microscopy. T. Gentzis, P. Rahimi, L. Stasiuk

3:50—27. Coking of Athabasca bitumen end cut. H. Shan, Κ. Η. Chung, M. R. Gray

4:20—28. Decomposition characteristics of Athabasca bitumen. C. Yang, Κ. Η. Chung, M. R. Gray


TUESDAY MORNING


Residuum/Asphaltene/Coke/Solids Characterization in Petroleum Processing I. A. Wiehe, J. G. Reynolds, Organizers 8:30—Introductory Remarks. 8:35—29. Spectroscopic characterization of

insoluble fractions of Jodhpur petroleum vacuum residue. B. K. Sharma, O. S. Ty-agi

9:05—30. Separation and characterization of hydrocarbon groups from vacuum residues by ion exchange chromatography. L. A. Carbognani Sr., J. E. Espidel, P. L. Salazar, E. Cotte, A. Oliveros Jr.

9:35—31. GBPO model for simulation of oil-shale extraction. O. M. Ogunsola, R. W. Lai

10:05—Intermission. 10:20—32. Study on thermal reaction char

acteristics of ShengLi vacuum residue with hydrogen donor and solvent. G. Que

10:50—33. Two-stage slurry bed hydrocrack-ing of residue. J. Zhou, W. Deng, G. Que

11:20—34. Effects of solid concentration on hydrodynamics in a slurry bubble-column reactor for heavy-oil hydrocracking process. Z. Men, G. Que, B. Arsam, B. I. Morsi


Advances in Hydrocarbon Characterization C. S. Hsu, Organizer 8:30—Introductory Remarks. 8:40—35. Characterization of heavy hydro

carbons by coupling high-performance liquid chromatography with mass spectrometry. C. S. Hsu

9:10—36. Fluorescent chemosensor for saturated hydrocarbons and other petroleum-related molecules: Its application using a chromatographic system—berberine-induced fluorescence detection. V. L. Ce-bolla, L. Membrado, M. P. Domingo, F. P. Cossio, A. Arrieta, J. Vela

9:40—37. Sensitive and quantitative group-type analysis (alkanes-naphthenes-aromatics-polars) of a wide range of petroleum products using berberine-induced fluorescence densitometry in thin-layer chromatographic systems. V. L. Cebolla, L. Membrado, M. P. Domingo, R. Garriga, E. M. Gâlvez, F. P. Cossio, A. Arrieta

10:10—Intermission. 10:25—38. Characterizing saturated hydro

carbons by novel laser mass spectrometry. M. S. de Vries, L. Grace, A. Abu Razek

10:55—39. Minimum laboratory data for physical properties of hydrocarbon mixtures and petroleum products. M. R. Riazi, Y. A. Al-Roomi

11:25—40. Resolution and identification of elemental compositions of hydrocarbon and NSO components of crude oil and petroleum distillates by Fourier-transform ion cyclotron resonance mass spectrometry. A. G. Marshall, R. P. Rodgers, C. L. Hen-drickson, M. R. Emmett, E. N. Blumer, K. Qian, C. A. Hughey




TUESDAY AFTERNOON

Section A


Advances in Oil Field Chemistry: Downhole Upgrading Cosponsored with Division of Geochemistry

C. Ovalles, Organizer

1:30—Introductory Remarks. 1:40—41. CAPRI horizontal well reactor for

catalytic upgrading of heavy oil. M. Greaves, A. El-Saghr, T. Xia

2:10—42. Downhole upgrading of extra-heavy crude oil using hydrogen donors and methane under steam-injection conditions. T. Vasquez, C. Vallejos, C. Ovalles

2:35—43. Catalytic performances and characterization of Co oxide-loaded high-surface saponite catalysts for heavy-oil hydrodesul-furization. T. Kimura, K. Al-Nawad, S. A. Ali, Y. Suzuki, H. Hamid, T. Inui

3:00—Intermission. 3:20—44. Cracking of model hydrocarbons

in the presence of hydrogen donor at low-severity conditions (573-613 K). C. Scott, H. Alfonso, O. Delgado, M. J. Perez-Zurita, C. Bolivar, C. Ovalles

3:45—45. Activity of alternating hydrogen sources for the hydrodesulfurization of diesel and bitumen in the presence of water using dispersed Mo-based catalyst. J. K. Moll, Z. Li, F. T. T. Ng

4:10—46. Heavy-oil upgrading with carbon-supported catalysts prepared by carbon dioxide treating. A. Segawa, K. Watanabe, M. Yoshimoto

4:35—47. Effect of the air diffusion in the oxidation reactions of Turkish Goynuk and U.S. Green River oil shales. A. Karaba-kan, Y. Yurum

Section Β


Advances in Hydrocarbon Characterization C. S. Hsu, Organizer 1:30—Introductory Remarks. 1:35—48. Analysis of hydrocarbon materials

by matrix-assisted laser desorption/ ionization mass spectrometry: Searching for the perfect matrix. P. A. Limbach, S. F. Macha, C. Robins

2:05—49. Electrospray ionization/mass spectroscopy study of organosulfur het-erocycles found in the aromatic fraction of a Maya crude oil. W. E. Rudzinsky, S. Sassman, L. M. Watkins

2:35—50. Macromolecular structure of types I and II kerogen. H. M. Parikh, J. W. Larsen

3:05—Intermission. 3:20—51. Using neutron scattering to study

hydrocarbons. M. Lin 3:50—52. Effects of hydrotreating severity on

aromatics reduction from diesel. G. H. Moreno, R. A. Aguilar, G. C. Laredo-Sânchez, J. L. Cano-Dominguez



Structure of Jet Fuels

W. E. Harrison, Organizer, Presiding

8:30—Introductory Remarks. 8:40—53. System drivers for high-heat sink

fuels. T. Edwards 9:05—54. Investigation of fuel additives for a

JP-8+225 fuel using the quartz-crystal microbalance. S. Zabarnick

9:30—55. Strategies and mechanisms for oxygen scavenging. B. Beaver, L. Gao

9:55—Intermission. 10:10—56. Effect of hydrogen donor on the

thermal stability of paraffinic jet fuels compared with naphthenic jet fuels under oxidative and nonoxidative flow conditions. J. J. Strohm, J. M. Andrésen, C. Song

10:35—57. Comparison of the synergistic effects of hybrid hydrogen donors toward stabilization of paraffinic jet fuels in the py-rolytic regimes under batch and flow conditions. J. M. Andrésen, J. J. Strohm, M. M. Coleman, C. Song

JULY 24, 2000 C&EN 1 1 7

PETR/PHYS/TECHNICAL PROGRAM

11:00—58. Additives to prevent filamentous coke formation in endothermic heat exchangers. D. T. Wickham, J. R. Engel, M. E. Karpuk



T. Edwards, Presiding

1:30—Introductory Remarks. 1:35—59. Elucidation of oxygenated interme

diates from naphthenic and paraffinic jet fuels in the autooxidative and pyrolytic regimes. J. J. Strohm, J. M. Andrésen, C. Song

2:00—60. Oxidative susceptibility of high-temperature stable jet fuels: Ramifications and strategies. M. M. Coleman, M. Sobkowiak, R. Yang, C. Song

2:25—61. Pyrolytic deposition characteristics of JP-7 and JP-8 fuels. E. Corporan, D. K. Minus

2:50—Intermission. 3:05—62. Study on the formation of aromat

ic compounds during thermal degradation of naphthenic jet fuels in the pyrolytic regime by HPLC and NMR. J. M. Andrésen, J. J. Strohm, L. Sun, C. Song

3:30—63. Concentration changes of combined chemical classes in thermally stressed jet fuel. D. K. Minus, E. Corporan

3:55—64. Effects of structure of the butyl chain on the pyrolysis of butylbenzenes: Molecular simulation and mechanism. X. Ma, Y. Peng, H. H. Schobert



D. K. Phelps, Presiding

8:30—Introductory Remarks. 8:35—65. Improving thermal stability of coal-

based jet fuel. S. Butnark, M. W. Badger, H. H. Schobert

9:00—66. Estimating the activation energy for hydrogen-abstraction reactions involving hydrocarbons by the bond-dissociation energy. X. Ma, H. H. Schobert

9:25—67. Thermal stability testing of the Baker Flo-XS pipeline drag-reducing additive. K. M. Wohlwend, S. Zabarnick, K. E. Binns, B. Grinstead

9:50—Intermission. 10:05—68. XPS, AFM, and SEM studies on

solid deposition from thermal decomposition of jet fuel on as-received and modified superalloy surfaces. O. Altin, Β. Κ. Pradhan, S. Eser

10:30—69. Inhibition of carbon deposition from thermal decomposition of jet fuel on oxidized inconel alloys. O. Altin, Β. Κ. Pradhan, S. Eser

10:55—70. Effects of sulfur species on solid deposition on inconel 600 from thermal decomposition of jet fuel and n-dodecane. F. Zhang, O. Altin, S. Eser


Structure of Jet Fuels D. K. Minus, Presiding 1:30—Introductory Remarks. 1:35—71. Solvatochromic shifts in supercriti

cal fuels. D. K. Phelps, C. E. Bunker, J. R. Gord

2:00—72. Physical and structural properties of jet fuels studied at high- and low-temperature extremes using laser-based diagnostic methods. C. E. Bunker, M. S. Brown, G. J. Fiechtner, J. R. Gord

2:25—73. Studies of jet fuel thermal stability and flow characteristics within a nozzle under supercritical conditions. J. S. Ervin, T. F. Williams, J. Bento, T. Doungthip

2:50—Intermission. 3:05—74. Identification of recalcitrant nitro

gen compounds during the production of thermally stable coal-based jet fuel. M. W. Badger

3:30—75. Jet-fuel crystallization at low temperatures. M. D. Vangsness, S. Zabarnick, N. Widmor

118 JULY 24, 2000 C&EN

3:55—76. Flow-reactor studies of potential petroleum-derived jet fuels. M. A. Roan, J. Goodeluinas, J. Bacak, A. L. Boehman

PHYS

DIVISION OF PHYSICAL CHEMISTRY D. M. Neumark, Program Chair

SUNDAY MORNING

Section A Grand Hyatt Constitution Ballroom C

Chemistry Under Extreme Conditions High-Pressure Chemistry

R. Morris, D. D. Dlott, Organizers D. D. Dlott, Presiding 8:55—Introductory Remarks. 9:00—3. Physical and chemical processes

under confinement and at the nanoscale. U. Landman

9:40—1. New probes of bonding and electronic structure at megabar pressures. R. J. Hemley, H-K. Mao, V. V. Struzhkin, M. I. Eremets, A. F. Goncharov

10:00—2. High-pressure and high-temperature stability in nanostructured oxide materials. S. H. Tolbert, J. Wu, A. F. Gross, A. Lapena, B. Kirsch

10:20—Intermission. 10:40—4. Novel nonmolecular phases of

carbon dioxide at high pressures and temperatures. C-S. Yoo, V. lota, H. Cynn

11:00—5. First-principles and semiempirical electronic-structure calculations for high-pressure phases of nitromethane. D. Mar-getis, M. Elstner, M. R. Manaa, E. Kaxiras

Section Β Grand Hyatt Constitution Ballroom D

Dynamics in Liquids Confined Liquids

M. Fayer, J. Fourkas, Organizers Β. Μ. Ladanyi, Presiding 8:20—6. Effects of confinement on solvent

motion. N. E. Levinger, D. M. Willard, E. M. Corbeil

9:00—7. Water-down view of confined fluids. S. Granick

9:40—8. Temperature-dependent optical Kerr effect spectroscopy of chloroform in restricted geometries. B. J. Loughnane, A. Scodinu, J. T. Fourkas

10:00—9. Size-dependent dielectric properties of liquid water clusters. D. Mittleman, J. Boyd, V. Colvin

10:20—Intermission. 10:40—10. Molecular dynamics in confining

geometries. F. Kremer, L. Hartmann, A. Huwe, T. Kratzmiiller, H. G. Braun, A. Grâser, S. Spange

11:20—11. Vibrational dynamics in porous silica glasses studied by time-resolved coherent anti-Stokes Raman scattering. K. Tominaga, J. Fourkas, B. J. Loughnane

Section C Grand Hyatt Constitution Ballroom Ε

Frontiers in Biophysical Theory Biomolecular Solvation and Dynamics

R. M. Levy, R. A. Friesner, Organizers B. Roux, Presiding 8:20—12. Semigrand canonical molecular

dynamics simulation of BPTI. B. M. Pet-titt, G. C. Lynch

9:00—13. Solvation effects on protein folding, binding, and design: Exploring the electrostatic balance. B. Tidor

9:40—14. Theoretical and computational studies of DNA. D. L. Beveridge

10:20—Intermission. 10:40—15. Understanding hydrophobicity

through hydrogen bonds: A link between Raman experiments, heat capacity, and simplified models. A. D. J. Haymet, K. A. Dill, K. A. T. Silverstein

11:20—16. Surface topography dependence of hydrophobic hydration. P. J. Rossky

Section D Grand Hyatt Independence Ballroom H

Proton Transport in Liquids, Solids, and Proteins S. Hammes-Schiffer, D. Silverman, Organizers D. Silverman, Presiding 8:15—Introductory Remarks. 8:20—17. F0 sector of rotary ATP synthase:

Structure and mechanism. R. H. Fillingame 9:00—18. Proton transport and pumping in

the purple membrane of Halobacterium. K. Schulten

9:40—19. Inferences about function-structure relationships of voltage-gated proton channels in cell membranes. T. E. De-Coursey, V. V. Cherny

10:20—20. Hybrid QM/MM simulations of enzyme reaction mechanisms. T. Clark, G. Schuerer, W. King

11:00—Intermission. 11:20—21. Dynamically driven tunneling ef

fects are unlikely to contribute in a major way to enzyme catalysis. C. Jen, J. Villa, A. Warshel

11:40—22. Mechanism of proton transfer at the nonhomogenous protein/water interface. M. Gutman

Section Ε Grand Hyatt Independence Ballroom I

Neutron Scattering Mostly Solids

F. Trouw, H. L. Strauss, Organizers F. Trouw, Presiding 8:15—Introductory Remarks. 8:20—23. Atomic pair correlations in solids.

G. H. Kwei, S. J. L Billinge 9:00—24. Neutron scattering investigations

of magnetism and structure in layered per-ovskite manganites SrO(La1.xSrxMn03)2. J. F. Mitchell, R. Osborn, Κ. Ε. Gray, A. Berger, D. N. Argyriou, S. D. Bader, C. Ling, J. E. Millburn, S. Sinha, O. Seeck, L. Vasiliu-Doloc, J. Lynn

9:40—25. Structures and properties of transition-metal oxides: Why use neutrons? M. K. Crawford

10:20—Intermission. 10:40—26. Neutron diffraction studies of

Jahn-Teller switches. A. J. Schultz, R. W. Henning, M. A. Hitchman, L. R. Falvello

11:20—27. Structural studies of alkali metal/ amine solutions. J. C. Wasse, S. Hayama, Ν. Τ. Skipper

11:40—28. Understanding molecular dynamics using inelastic neutron scattering spectroscopy. B. S. Hudson

Section F Grand Hyatt Independence Ballroom F-G

Very Low Temperature Spectroscopy and Dynamics Overview of Low-Temperature Spectroscopy and Dynamics

G. Scoles, W. C. Stwalley, Organizers W. C. Stwalley, Presiding 8:10—Introductory Remarks. 8:20—29. Spectroscopy and dynamics in su

personic molecular beams. D. H. Levy


9:00—30. Slowing molecular beams by counter-revolutionary means. D. R. Hersch-bach, M. Gupta

9:20—31. Scooping and penning pendular molecules. B. Friedrich

9:40—32. Levels very near dissociation and long-range forces. R. J. Le Roy

10:20—Intermission. 10:40—33. Near-dissociation states of mo

lecular ions: HeAr+, HeKr+, HeN+, and HeH2

+. J. M. Hutson 11:00—34. Optical cooling and chemical re

activity. J. Weiner

SUNDAY AFTERNOON


Chemistry Under Extreme Conditions High-Energy Chemistry

M. Berman, Presiding 1:40—35. Collisions and reactions of acidic

gases with acidic liquids. G. M. Na-thanson

2:20—36. Collision-induced dissociation of diatomic molecules at high levels of vibrational excitation. R. Dressier, Y-H. Chiu, S. Pullins, D. Levandier, X. Qian, Y. Song, C. Ng

3:00—37. Reaction of hyperthermal 0 + ions with a SiOx surface. D. C. Jacobs, C. L. Quinteros, T. Tzvetkov

3:20—Intermission. 3:40—38. Dynamics of atomic-oxygen-

induced erosion of polymers in low Earth orbit. T. K. Minton, D. J. Garton, J. Zhang

4:20—39. State-resolved collisional energy flow from highly excited molecules: Insights for high-temperature systems. A. S. Mullin, M. S. Elioff, R. S. Sansom, L. Shum, K. Werner


Dynamics in Liquids Liquids at Interfaces

Ν. Ε. Levinger, Presiding 1:40—40. Surprising discoveries of how wa

ter hydrogen-bonds and orients at hydrophobic surfaces. G. L. Richmond

2:20—41. SFG spectroscopy of the aqueous interface. D. M. Simonelli, S. Baldelli, C. Schnitzer, M. J. Shultz

3:00—42. Quasi-liquid on the ice surface studied by sum-frequency vibrational spectroscopy. X. Wei, Y. R. Shen

3:40—Intermission. 4:00—43. Solvation and rotation dynamics at

interfaces. K. B. Eisenthal, D. Zimdars 4:40—44. Effects of (micro)heterogeneities

on solvation dynamics. B. M. Ladanyi, J. Faeder


Frontiers in Biophysical Theory Membranes and Ions Channels

Β. Μ. Pettitt, Presiding 1:20—45. Grand canonical Monte Carlo-

Brownian dynamics algorithm for simulating ion channels. B. Roux

2:00—46. Molecular dynamics studies of membranes and membrane proteins. M. L. Klein

2:40—47. Lipid bilayers: Complex, heterogeneous settings for membrane protein structure and function. T. B. Woolf

3:20—Intermission. 3:40—48. Structures of phospholipid mem

branes with cholesterol, cholesterol sulfate, ergosterol, and lanosterol as revealed by molecular dynamics simulation. A. M. Smondyrev, M. L. Berkowitz

4:20—49. Function and selectivity of ion channels. S. B. Rempe, L. R. Pratt

Section D Grand Hyatt Independence Ballroom F-G

Proton Transport in Liquids, Solids, and Proteins J. Schofield, Presiding 1:20—85. Nontraditional theory of proton

transfer kinetic isotope effects. J. T. Hynes, P. Kiefer

2:00—86. Picosecond dynamics of nonadia-batic proton transfer in solution. K. S. Peters

2:40—52. Computer simulation of proton transport in water, acid-base, and biomo-lecular systems. G. A. Voth

3:20—Intermission. 3:40—53. Measurements of proton-coupled

electron transfer reactions in biomimetic and natural systems. D. G. Nocera

4:20—54. Model proton-coupled electron transfer reactions in solution: Rates, mechanisms, and kinetic isotope effects. H. Y. Decornez, S. Hammes-Schiffer

4:40—55. Quantum mechanical dynamics of enzyme-catalyzed reactions from combined QM/MM simulations. J. Gao


Neutron Scattering Surfaces and Solutions

H. L. Strauss, Presiding 1:40—56. Neutron reflection from wet inter

faces. R. K. Thomas 2:20—57. Structure and dynamics of clath-

rate hydrates: Neutron elastic and inelastic studies. J. S. Tse, F. Trouw, C. Gutt, W. Press, V. Shpakov, V. Belodludov

3:00—58. Exploring dynamics in water/ DMSO mixtures using quasielastic neutron scattering and ultrafast spectroscopy. N. E. Levinger, B. M. Luther, K. W. Herwig, H. Bordallo

3:20—Intermission. 3:40—59. Biomimetic films and oil/water

emulsions. J. W. White 4:20—60. Inelastic neutron scattering of oc-

tamethylsilsesquioxane. C. M. Brown, C. L. Soles, J. D. Lichtenhan, D. A. Neumann

4:40—61. Aerosol SANS: A new method to probe the structure of nanodroplets. Β. Ε. Wyslouzil, G. Wilemski, R. Strey

Section F Grand Hyatt Independence Ballroom H

Very Low Temperature Spectroscopy and Dynamics Molecular Trapping and Spectroscopy in Quantum Clusters

W. C. Stwalley, Presiding 1:20—62. Spectroscopy in helium nanodrop

lets. A. F. Vilesov 2:00—63. Spectroscopy of helium molecules

floating on the surface of helium nanodroplets. C-C. Hu, R. Petluri, J. A. Northby

2:40—64. Path integral Monte Carlo studies of 4He droplets. D. M. Ceperley, E. W. Draeger


A Catalysis



• Environmental


Sciences


3:40—65. Microwave-infrared double resonance spectroscopy of an OCS molecule inside a helium droplet. M. Havenith

4:20—66. High-resolution helium nanodrop-let isolation spectroscopy in the 1.5-μιτι region. C. Callegari, A. Conjusteau, I. Rein-hard, K. K. Lehmann, G. Scoles

4:40—67. Hydrodynamic theory for the motion of dopant molecules in superfluid 4He. K. K. Lehmann, C. Callegari, A. Conjusteau, I. Reinhard, G. Scoles, F. Dalfovo

* Aspects of Biological Electron Transfer cosponsored with Division of Inorganic Chemistry (see page 95)

MONDAY MORNING


Chemistry Under Extreme Conditions Supercritical Fluids

S. Egorov, Presiding 8:00—68. Organic-inorganic interactions at

hydrothermal conditions. T. B. Brill, D. Miksa, N. Gunawardena

8:40—69. Novel polymeric materials for applications in compressed carbon dioxide. J. M. DeSimone

9:20—70. Solvent clustering effects on chemistry in supercritical water. P. J. Rossky

10:00—Intermission. 10:20—71. Transitions in the coordination

structure about ions in supercritical water from X-ray absorption spectroscopy. J. L. Fulton

11:00—72. Structure and spectroscopy in supercritical fluids. J. Skinner, S. Egorov

11:40—73. Rotational dynamics of toluene in supercritical carbon dioxide. J. E. Adams, A. Siavosh Haghighi


Dynamics in Liquids Complex Fluids

U. Mohanty, Presiding 8:20—74. Video microscopy of colloidal

phases on a template. C. A. Murray 9:00—75. Measurement of the dynamic

structure function of fluorescently labeled complex fluids by phase interference correlation spectroscopy. A. H. Marcus

9:40—76. Chemistry in changing environments: A theoretical projection. R. Hernandez

10:00—77. Supergiant cluster of water molecules in aqueous glutaraldehyde solution? J-l. Kawahara, Y. Kobayashi

10:20—Intermission. 10:40—78. Is the glass transition a jamming

transition? C. S. O'Hern, S. A. Langer, A. J. Liu, S. R. Nagel

11:20—79. Macroscopic chirality and biaxial correlations. R. D. Kamien


Frontiers in Biophysical Theory Molecular Recognition and Ligand Design

A. Wallqvist, Presiding 8:20—80. Modeling molecular recognition:

Theory and application. M. K. Gilson, L. David, R. Luo, K. L. Mardis, M. Potter

9:00—81. Elucidation of protein-ligand binding by computer simulations. W. L. Jor-gensen, J. Tirado-Rives

9:40—82. Folding thermodynamics and kinetics: Insights from all-atom simulations. E. I. Shakhnovich, J. Shimada, E. Kussell

10:20—Intermission. 10:40—83. Flexible docking of ligands to re

ceptor sites with GLIDE. T. Halgren 11:20—84. DNA-centric view of protein-DNA

interactions. V. B. Zhurkin, W. K. Olson, M. Y. Tolstorukov, R. L. Jernigan


Proton Transport in Liquids, Solids, and Proteins M. Gutman, Presiding 8:20—50. Tunneling in enzyme-catalyzed

hydrogen atom transfer reactions. J. P. Klinman

9:00—51. Hydride transfer in enzymes: Internal enzyme motions as a source of catalytic activity. S. D. Schwartz, D. Antoniou

9:40—87. Proton-conducting channels of cytochrome oxidase. R. B. Gennis

10:20—Intermission. 10:40—88. Search for the proton exit path

way in cytochrome c oxidase: The Mg/Mn site as probe. S. Ferguson-Miller, L. Flo-rens, B. Schmidt, L. Qin, J. McCracken

11:20—89. Proton and water transfer pathways of bovine heart cytochrome c oxidase. S. Yoshikawa, K. Shinzawa-ltoh, K. Muramoto, E. Yamashita, H. Aoyama, T. Tsukihara

11:40—90. Redox-coupled proton transfer reactions in cytochrome oxidase. A. A. Stuchebrukhov, D. M. Medvedev, Y. Georgievski, E. S. Medvedev


Neutron Scattering Complex Systems

F. Trouw, Presiding 8:20—91. Neutron-scattering studies of poly

mer melt dynamics: A comparison of experiment, simulation, and theory. G. D. Smith

9:00—92. Rotational tunnelling: Old questions, new answers. G. J. Kearley, M. R. Johnson

9:40—93. Neutron scattering reveals details of biomolecular signaling mechanisms. J. Trewhella

10:20—Intermission. 10:40—94. Structure and dynamics of star

like and starburst dendrimers. S. Rathge-ber, A. P. Gast, J. L. Hedrick, A. Brulet, M. Monkenbusch

11:00—95. Morphological investigation of dry and solvent-swollen Nation. S. K. Young, S. F. Trevino, N. C. Beck Tan

11:20—96. Hydrophobically modified dendrimers as inverse micelles: Formation of cylindrical multidendrimer nanostructures. F. Grôhn, B. J. Bauer, E. J. Amis

Section F

Grand Hyatt Independence Ballroom H

Very Low Temperature Spectroscopy and Dynamics Molecular Trapping and Spectroscopy in Quantum Clusters

D. M. Ceperley, Presiding

8:20—97. Frequency domain spectroscopy of alkali oligomers on helium nanodroplets. W. E. Ernst

9:00—98. Real-time spectroscopy of alkali oligomers attached to helium nanodroplets. F. Stienkemeier, C. P. Schulz

9:40—99. Spectroscopy of metal atoms in and on liquid helium nanodroplets. J. H. Reho, M. R. Radcliff, U. Merker, Κ. Κ. Lehmann, G. Scoles

10:00—100. Bound states of quartet Na3 and spin-polarized Na + Na2 collisions. J. M. Hutson

10:20—Intermission. 10:40—101. Quantum solvation and molecu

lar rotations in superfluid helium droplets. K. B. Whaley

11:20—102. High-resolution spectroscopic probe of solvent-solute interactions. K. Nauta, R. E. Miller


11:40—103. IR spectroscopy and dynamics of helium-solvated molecules. R. E. Miller, K. Nauta

• Aspects of Biological Electron Transfer cosponsored with Division of Inorganic Chemistry (see page 97)

MONDAY AFTERNOON


Chemistry Under Extreme Conditions High-Pressure Chemistry

S. Arnold, Presiding 1:20—104. Flashes in a pan of dense matter:

An overview of novel physical chemistry at extreme pressures. M. Nicol

2:00—105. Transient grating spectroscopy at high temperature and pressure. L. J. Slutsky, E. H. Abramson, J. M. Brown

2:40—106. High-explosive reaction chemistry via ultrafast laser-excited spectroscopies (HERCULES). D. S. Moore, S. J. Buelow, D. J. Funk, R. L. Rabie, G. L. Fisher, K. T. Gahagan, J. H. Reho, L. L. Davis, S. A. Sheffield, H. V. Brand

3:20—Intermission. 3:40—107. Nanoshock compression of or

ganic polymers and proteins: Ultrafast structural relaxation. H. Kim, S. A. Ham-bir, D. D. Dlott

4:20—108. Equilibrium properties and structural relaxation in simple fluids at high pressure and temperature. J. M. Zaug, L. E. Fried, D. W. Hansen

4:40—109. Chemical reactivity of energetic materials under extreme conditions. M. R. Manaa, D. Margetis, M. Elstner, E. Kaxiras


Dynamics in Liquids Supercooled Liquids

F. Kremer, Presiding 1:20—110. Dynamically heterogeneous na

ture of glass-forming liquids. S. C. Glotzer 2:00—111. Amorphous ice as a model for

supercooled liquid water. B. D. Kay, R. S. Smith, G. A. Kimmel, Z. Dohnalek, P. Ay-otte, K. P. Stevenson

2:40—112. Cooperative relaxation in glass-forming liquids. U. Mohanty

3:00—113. Dynamic heterogeneity of solvent response times. R. Richert, H. Wendt

3:20—Intermission. 3:40—114. Intramolecular motions in simple

liquids at the glass transition studied by deuteron NMR. H. Sillescu, R. Bohrner, A. Dôss, T. Jorg, F. Qi

4:20—115. Nanoscopic heterogeneities in the thermal and dynamic properties of supercooled liquids. R. V. Chamberlin

Section C

Grand Hyatt Constitution Ballroom Ε

Frontiers in Biophysical Theory Structural Genomics and Bioinformatics

M. K. Gilson, Presiding 1:20—116. Comparative genomics: Surveys

of a finite parts list. M. Gerstein 2:00—117. Information system for structural

genomics. S. H. Bryant 2:40—118. Protein structure prediction in the

postgenomic era. D. T. Jones 3:20—Intermission. 3:40—119. All-atom models for protein fold

recognition and alignments. A. Wallqvist 4:20—120. New algorithm for the ab initio

folding of small globular proteins. C. H. Mak, L. R. Zini

JULY 24, 2000 C&EN 1 1 9

PHYS/TECHNICAL PROGRAM


Proton Transport in Liquids, Solids, and Proteins A. Warshel, Presiding 1:20—121. Novel NMR views of hydrogen

transfer and bonding. H. H. Limbach 2:00—122. NMR studies of low barrier hy

drogen bonds on enzymes. A. S. Mildvan, M. A. Massiah, T. K. Harris

2:40—123. Η-transfer reactions in biomole-cules and materials. T. Kudo, P. Bandyo-padhyay, M. S. Gordon

3:20—Intermission. 3:40—124. Symmetry of hydrogen bonds in

solution. C. L. Perrin 4:20—125. Ultrafast coherent response of

hydrogen bonds. J. Stenger, J. Dreyer, D. Madsen, E. T. J. Nibbering, P. Hamm, T. Elsaesser

4:40—126. Quantum dynamics in nano-pores: Modeling proton transfer in zeolites with semiclassical transition state theory. J. T. Fermann, S. M. Auerbach


Industrial Applications in Theoretical Chemistry Homo- and Heterogeneous Catalysis

A. M. Chaka, W. F. Schneider, Organizers W. F. Schneider, Presiding 1:20—127. Prospects for chemical and ma

terials modeling in industry. E. Stechel 1:50—128. Modeling industrial catalytic reac

tion systems from first principles. M. Neu-rock

2:20—129. Structure and surface chemistry of aluminas. K. C. Hass, W. F. Schneider, C. M. Wolverton

2:50—130. Theoretical studies of epoxida-tion on silver clusters. A. Redondo, M. R. Salazar, J. D. Kress

3:20—Intermission. 3:40—131. Theory and experiment in pursuit

of direct epoxidation mechanisms. M. A. Barteau, J. W. Medlin

4:10—132. Unraveling catalytic kinetics via detailed mechanistic modeling and computational chemistry. L. J. Broadbelt, D. J. Dooling, D. J. Klinke

4:40—133. C-C and C-l reductive elimination from Pt(IV) centers. K. D. Dobbs


Very Low Temperature Spectroscopy and Dynamics Spectroscopy in Quantum Matrices

R. J. Le Roy, Presiding 1:20—134. Spectroscopy and dynamics of

atoms and molecules in bulk liquid helium. M. Takami

2:00—135. Zeeman and Stark spectroscopy of paramagnetic impurities in helium crystals. A. Weis

2:40—136. Interrogation of superfluidity on molecular scales in real time. V. A. Apkar-ian, A. Benderskii, J. Eloranta

3:2fJ—Intermission. 3:40—137. High-resolution spectroscopy of

molecules in solid parahydrogen. T. Mo-mose

4:20—138. IR spectra of doped solid parahydrogen: Diffusion quantum Monte Carlo studies. R. J. Hinde

4:40—139. Effects of confinement on rotational tunneling in methyl iodide. R. M. Dimeo, D. A. Neumann

* Aspects of Biological Electron Transfer cosponsored with Division of Inorganic Chemistry (see page 98)

1 2 0 JULY 24, 2000 C&EN


Sci-Mix D. M. Neumark, Organizer 8:00-10:00 140. Aqueous proton transfer dynamics as

determined by the union of Car-Parrinello molecular dynamics and transition path sampling. P. L Geissler, C. Dellago, D. Chandler

141. Piece-by-piece assembly of individual molecules: Dissociation and formation of molecular bonds by the scanning tunneling microscope. L. Battels, S. W. Hla, A. Kuhnle, G. Meyer, K-H. Rieder, M. Wolf, D. Velic, A. Hotzel, E. Knoesel, T. Klamm-roth, P. Saalfrank

142. STM characterization of molecular switches. J. D. Monnell, Z. J. Donhauser, L. A. Bumm, P. A. Lewis, K. F. Kelly, B. A. Mantooth, A. M. Rawlett, D. W. Price, J. M. Tour, D. L. Allara

143. Influence of collagen monomer surface charge on aggregate morphology. J. K. Rainey, M. C. Goh

144. Spectroscopy and photodissociation dynamics of reaction intermediates and sol-vated dications. R. B. Metz, J. Husband, K. Faherty, F. Aguirre, C. J. Thompson

145. Model for simulating dynamics of DNA denaturation. G. C. Schatz, K. Drukker

146. Simulating proton translocations in proteins: Probing proton transfer pathways in the Rhodobacter sphaeroides reaction center. Y. Y. Sham, I. Muegge, A. Warshel

147. New instrument for measuring ion-molecule kinetics at elevated pressures: The turbulent ion flow tube. S. Arnold, A. A. Viggiano, J. V. Seeley

148. Femtosecond excited-state dynamics of the nucleic acid bases in polar solvents. J-M. Pecourt, B. Kohler

149. Molecular dynamics studies of a stable heptapeptide. B. P. Krueger, P. Kollman

150. Femtosecond studies on asymmetric bi-pyridyl complexes of Ru(l l) . A. E. Curtright, J. K. McCusker

151. NMR and Raman spectroscopy as tools for the investigation of solvation and molecular dynamics of interfacial systems. S. L. Wallen, E. D. Dawson

152. Photodetachment of multiply charged anions in the gas phase. L-S. Wang, X-B. Wang

153. Photophysics of conformationally constrained oligosilanes. H. A. Fogarty, M. K. Raymond, S. Mazieres, J. Michl

154. Monitoring the photochemical ring-opening reaction of 1,3-cyclohexadiene using ultrafast electron diffraction. R. C. Dudek, P. M. Weber

TUESDAY MORNING


Chemistry Under Extreme Conditions High-Energy Chemistry

A. S. Mullin, Presiding 9:00—155. New studies of rovibrational en

ergy transfer of highly excited molecules in various environments. J. Troe

9:40—156. Collisional energy transfer of highly excited molecules. H-L. Dai

10:20—Intermission. 10:40—157. Chemistry under extreme condi

tions induced by cluster impact. R. D. Le-vine

11:20—158. Kinetic energy dependence of ion-molecule reactions. P. B. Armentrout, C. Rue, I. Kretzschmar, D. Schroeder, H. Schwarz


Dynamics in Liquids Vibrational Dynamics

A. Tokmakoff, Presiding 8:20—159. Femtosecond IR studies of orga-

nometallic reactions. C. B. Harris, H. Yang, K. T. Kotz, P. T. Snee, C. K. Payne, S. D. Mebane

9:00—160. Multidimensional coherent IR spectroscopy of small molecules and peptides in solutions. M. C. Asplund, M. T. Zanni, R. M. Hochstrasser

9:4rj—161. How can critical slowing down affect solute dynamics? G. Goodyear, M. W. Maddox, S. Tucker

10:00—162. Vibrational energy relaxation in molecular liquids. D. D. Dlott

10:20—Intermission. 10:40—163. Self-association reactions stud

ied by broadband ultrafast IR spectroscopy. T. A. Heimer, V. D. Kleiman, T. J. Bur-key, E. J. Heilweil

11:20—164. Ultrafast intermolecular interactions in liquid water. H. J. Bakker


Frontiers in Biophysical Theory Combined QM/MM Methods

R. A. Friesner, Presiding 8:20—165. Computational evidence of

ground state destabilization in enzyme catalysis: Importance of electrostatic stress in the reaction by OMP decarboxylase. J. Gao

9:00—166. QM/MM techniques for examining enzyme mechanism. B. R. Brooks

9:40—167. Multiscale quantum methods for simulations of biological reactions. D. M. York

10:20—Intermission. 10:40—168. NMR chemical shift due to sol

vation: RISM-SCF study. T. Yamazaki, H. Sato, F. Hirata

11:20—169. QM/MM method for large-scale modeling of chemistry in protein environments and applications to P-450_cam. R. B. Murphy, R. A. Friesner


Proton Transport in Liquids, Solids, and Proteins J. Gao, Presiding 8:20—170. Complexity of proton conduction

mechanisms in electrolytes for high drain applications. K. D. Kreuer, W. Munch, J. Maier

9:00—171. Proton transport in ice: Failure of the tunneling mechanism. J. P. Cowin, M. J. I edema, K. Wu, A. A. Tsekouras

9:40—172. State of strong acids on the surface of ice below 140 K. J. P. Devlin

10:20—Intermission. 10:40—173. Temperature-dependent Har-

tree approach for excess proton transport in hydrogen-bonded chains. R. I. Cukier

11:20—174. Autodissociation of a water molecule in liquid water. P. L. Geissler, C. Dellago, D. Chandler


Industrial Applications in Theoretical Chemistry Homo- and Heterogeneous Catalysis

A. M. Chaka, Presiding 8:20—175. DFT studies of reaction pathways

occurring on zeolite and metal oxide catalysts. A. T. Bell

8:50—176. Silicon and aluminum distributions in Faujasite zeolites. Β. Κ. Peterson

9:20—177. Interaction between catalyst and support: Submonolayers of Co and Ni on silica surface. Q. Ma, K. Klier, H. Cheng, J. W. Mitchell, K. S. Hayes, J. N. Armor

9:35—178. Modeling of chemical processes in a realistic environment. J. W. Andzelm



10:25—179. Toward computer design of single-site polymerization catalysts. T. Ziegler, M. Chan, L Deng, T. Firman, P. Margl, R. Schmid, T. K. Woo, K. Vanka

10:55—180. Comprehensive computational studies of metallocene catalyzed ethylene polymerization: Propogation and termination steps. P. K. Das, D. E. Lauffer

11:25—181. Life and death of a Ziegler catalyst: A density functional study on the life cycle of TiX-n supported on MgCI2. P. M. Margl, R. R. Ford, D. S. Williams

11:55—182. IMOMO approach to calculate the thermal stability of polymers: Application of quantum mechanics to a "wear" problem. E. Chamot, B. Porankiewicz


Very Low Temperature Spectroscopy and Dynamics Photoassociative Spectroscopy of Ultracold Atoms

Κ. Μ. Jones, Presiding 8:20—183. Photoassociation spectroscopy

of ultracold sodium. P. D. Lett, Κ. Μ. Jones, F. Fatemi

9:00—184. Double resonance photoassociative spectroscopy of laser-cooled potassium atoms. H. Wang

9:40—185. Theory of photoassociation. R. Côté

10:20—Intermission. 10:40—186. Highly excited states of ultra-

cold molecules: Photoassociative spectroscopy of Na2. N. P. Bigelow, J. P. Shaffer, W. Chalupczak

11:20—187. Making cold Cs2 and CsH molecules through photoassociation and cold reactions. M. Pichler, W. C. Stwalley

• Aspects of Biological Electron Transfer cosponsored with Division of Inorganic Chemistry (see page 98)

M Materials Discovery cosponsored with Division of Computers in Chemistry (see page 81)


State of the Art: New Developments in FTIR and FT-Raman Spectroscopy cosponsored with Division of Chemical Education (see page 71)

TUESDAY AFTERNOON


Chemistry Under Extreme Conditions Supercritical Fluids

J. E. Adams, Presiding

1:20—188. Molecular approach to solvation in highly compressible solvents. A. A. Chialvo

2:00—189. Local density enhancement in attractive supercritical solutions: Inhomoge-neous fluid theory. S. Egorov

2:20—190. Energy-transfer reactivity in supercritical fluids. D. P. Roek, J. E. Cha-teauneuf, J. F. Brennecke

3:00—Intermission. 3:20—191. Quadrupolar solvation in super

critical C02 and implications for chemical kinetics. J. F. Kauffman, M. Khajehpour

4:00—192. Vibrational relaxation in supercritical fluids. M. Fayer

4:40—193. Origin of local density enhancements in compressible supercritical fluids. S. Tucker, G. Goodyear


Dynamics in Liquids Vibrational Dynamics

E. J. Heilweil, Presiding 1:20—194. What 2-D Raman spectra really

tell us about the dynamics of liquids. R. M. Stratt, A. Ma

2:00—195. Molecular dynamics in solution studied with 1- and 2-D vibrational spectroscopy. A. Tokmakoff

2:40—196. Combined time correlation function and instantaneous normal mode investigation of liquid-state vibrational spectroscopy. B. Space

3:00—197. Intermolecular interactions and ultrafast dynamics of aqueous protein dénaturant solutions. H. Shirota, P. P. Wie-wior, E. W. Castner Jr.

3:20—Intermission. 3:40—198. Analysis of intermolecular coordi

nate contributions to the ultrafast third-order spectroscopy of liquids. D. McMor-row, J. S. Melinger, V. D. Kleiman, W. T. Lotshaw, N. Thantu, B. J. Loughnane, R. A. Farrer, J. T. Fourkas

4:20—199. Low-frequency, collective solvent dynamics as probed with time-resolved THz spectroscopy. M. C. Beard, G. M. Turner, C. A. Schmuttenmaer

4:40—200. Far-UV resonance Raman spectra of nitrate ion in solution: Vibrational and solvent dynamics. M. R. Waterland, A. M. Kelley


• Quantum Computing for the Next Millennium Coherences, Control, and Computation

Κ. Β. Whaley, I. Chuang, Organizers I. Chuang, Presiding 1:15—Introductory Remarks. 1:20—201. Entanglement assisted communi

cation. C. H. Bennett 2:00—202. Scalability of NMR quantum com

putation. N. A. Gershenfeld 2:40—203. Silicon-based quantum computa

tion. Β. Ε. Kane 3:20—Intermission. 3:40—204. Controlling quantum dynamics

phenomena. H. Rabitz 4:20—205. Controlling noise in quantum sys

tems. E. Knill

Section D Grand Hyatt Independence Ballroom Η

Proton Transport in Liquids, Solids, and Proteins S. Yoshikawa, Presiding 1:20—206. Pathway for proton transfer in

bacterial reaction centers. Μ. Υ. Okamu-ra, M. L. Paddock, P. Âdelroth, G. Feher

2:00—207. Molecular mechanism of proton translocation in membrane proteins. R. Pomes

2:40—208. Intraprotein proton transfer in photosynthetic reaction centers. C. A. Wraight, E. Takahashi, V. Shinkarev, T. A. Wells

3:20—Intermission. 3:40—209. Proton conduction by a chain of

water molecules in carbonic anhydrase. S. Scheiner, A. Isaev

4:20—210. Dynamics and thermodynamics of proton transfer from cationic acids in solutions and in biochemical-like environments. E. Pines, T. Barak, D. Pines

4:40—211. Reorganization of the QB pocket of photosynthetic reaction centers stabilizes ionization changes. M. R. Gunner, E. G. Alexov

A Catalysis



• Environmental


Sciences

A Science & Intellectual Policies


Industrial Applications in Theoretical Chemistry Adhesion and Tribology

P. M. Margl, Presiding 1:20—212. Metal/alumina adhesion at the

atomic level. J. R. Smith, W. Zhang 1:50—213. Comparing automatic transmis

sion fluid additive effects via molecular dynamics simulations. Ml. L. Greenfield, H. Ohtani

2:20—214. Structure and friction of alkane/ hydroxylated alumina interfaces. W. L. Hase, R. Y. Jin, K. Song, D. J. Mann

2:50—215. Modeling and simulation of materials for industrial applications. W. A. God-da rd, T. Cagin, M. Blanco, S. Dasgupta, N. Vaidehi, R. Muller

3:10—Intermission. 3:40—216. DFT: From molecules to solids

using LCAO numerical orbitals. G. Fitzgerald, B. Delley, J. W. Andzelm

4:10—217. Investigation of boundary additive decomposition pathways on aluminum using an ab initio methodology. L. G. Hector, S. M. Opalka, R. A. Reich

4:40—218. Effect of the environment on α-Μ203 (0001) surface structures. J. Edgar, A. M. Chaka, X-G. Wang, M. Scheffler, D. Barr


Very Low Temperature Spectroscopy and Dynamics Molecular Formation from Ultracold Atoms

C. I. Sukenik, Presiding 2:00—219. Survey of molecule formation

processes from ultracold atoms. P. S. Julienne

2:40—220. Molecule formation by photoassociation. P. Pillet, B. L. Tolra, C. Drag, O. Dulieu, C. Dion, A. Crubellier, F. Masnou-Seeuws

3:20—Intermission. 3:40—221. Experiments on ultracold ground-

state molecules formed by two-color pho-toassociation. Ε. Ε. Eyler

4:2fJ—222. Theory of state selected formation of ultracold molecules by coherent photoassociation. M. Shapiro

H Materials Discovery cosponsored with Division of Computers in Chemistry (see page 82)


State of the Art: New Developments in FTIR and FT-Raman Spectroscopy cosponsored with Division of Chemical Education (see page 71)

TUESDAY EVENING Grand Hyatt Constitution Ballroom Β

Industrial Applications in Theoretical Chemistry A. M. Chaka, W. F. Schneider, Organizers 6:00—Panel Discussion.

WEDNESDAY MORNING


Chemistry Under Extreme Conditions Low-Temperature Chemistry

M. A. Johnson, Presiding 8:40—223. Gas-phase reactions and colli-

sional energy transfer at ultralow temperatures. I. W. M. Smith

9:20—224. Tuning dynamics and reactivity: Sol-gel encapsulation of proteins. J. M. Friedman

10:00—225. Incoherent control of protein conformational state. N. Agmon

10:20—Intermission. 10:40—226. Chemistry and spectroscopy in

cryogenic parahydrogen solids. M. E. Fa-jardo, S. Tarn, M. E. DeRose

11:20—227. Low-temperature molecular reaction dynamics measured in free jet expansions. M. Smith


Dynamics in Liquids Photochemistry

B. Kohler, Presiding 8:20—228. Energy redistribution and energy

dissipation in condensed-phase chemical reactions. R. J. Sension

9:00—229. Photochemistry in aqueous solutions: The mechanisms of photoionization and threshold photodetachment. S. E. Bradforth, V. H. Vilchiz, J. A. Kloepfer, V. A. Lenchenkov, A. C. Germaine

9:40—230. Donor/acceptor electronic coupling is a dynamical variable. E. W. Castner Jr., R. J. Cave

10:00—231. Picosecond photoinduced conformational dynamics in the 1(π,π*) excited state of a nonplanar porphyrin. J. L. Ret-sek, S. Gentemann, C. J. Medforth, Κ. Μ. Smith, V. S. Chirvony, J. Fajer, D. Holten

10:20—Intermission. 10:40—232. Photodissociation and energy

relaxation at liquid interfaces. I. Benjamin 11:20—233. Resonance Raman studies of

chlorine dioxide photochemistry. P. J. Reid


• Quantum Computing for the Next Millennium Directions in the Solid State

Κ. Β. Whaley, Presiding 8:20—234. Quantum computing with quan

tum dots. D. DiVincenzo 9:00—235. Imprinting and manipulating spin

coherence in semiconductors. D. D. Aw-schalom

9:40—236. Decoherence-free quantum computation. D. A. Lidar

10:20—Intermission. 10:40—237. Entangling two excitons in a sin

gle quantum dot. G. Chen, D. Steel, D. Gammon, L. J. Sham

11:20—238. Quantum error correction through dissipative evolution. W. S. Warren, J. P. Barnes


Proton Transport in Liquids, Solids, and Proteins S. Hammes-Schiffer, Presiding 8:20—239. Proton solvation and proton mo

bility. N. Agmon 9:00—240. Predicting the rates of organic

proton transfer reactions with no adjustable parameters. J. P. Guthrie

9:40—241. Solvation and transport of hydro-nium and hydroxyl ions in water studied by ab initio dynamics and ab initio path integrals. M. Tuckerman, D. Marx, M. Par-rinello

10:20—Intermission. 10:40—242. Transport and infrared spectros

copy of the hydrated proton. D. Borgis, R. Vuilleumier

11:20—243. Proton tunneling dynamics simulation with 10 explicit degrees of freedom. C. H. Mak, M. Dikovsky


11:40—244. Comparative ultrafast molecular dynamics of selected green fluorescent proteins. A. A. Heikal, S. T. Hess, W. W. Webb


Industrial Applications in Theoretical Chemistry Surface Reactivity and Materials Properties

L. G. Hector, Presiding 8:20—245. Dissociation of H2 on a Cu(100)

surface: 6D quantum dynamics on a DFT-GGA potential energy surface. E. J. Baer-ends, R. A. Olsen, G-J. Kroes, D. McCor-mack

8:50—246. Photoinduced desorption of small molecules from surfaces: A microscopic understanding based on first principles. T. Kluener

9:20—247. Materials modeling for field emission applications. R. Ramprasad

9:50—248. Simulation of growth kinetics and thermodynamic equilibrium of lnAs(001) surfaces. M. F. Gyure, F. Grosse, W. Barvosa-Carter, R. Ross, C. Ratsch, J. Owen, J. J. Zinck

10:20—Intermission. 10:40—249. First-principles studies of

supported-metal catalysts. A. M. Rappe 11:10—250. Ab initio calculation of mechan

ical and thermomechanical materials. P. W. Saxe, Y. Le Page, Β. Mayer, J. Sticht, J. Harris, P. C. Schmidt

11:40—251. Computational evaluation of dental polymers. A. J. Holder, J. A. Morrill, C. D. Harris, D. White, J. D. Eick, C. Chappelow


Very Low Temperature Spectroscopy and Dynamics Molecular Formation from Ultracold Atoms

J. P. Burke Jr., Presiding 8:20—252. Molecules in a dilute gas Bose-

Einstein condensate. D. J. Heinzen 9:00—253. Molecular levels near dissocia

tion and cold collisions within magnetic fields. E. Tiemann, T. Laue, C. Samuelis, H. Knôckel

9:40—254. Ultracold molecule formation via two-body resonances. E. Tiesinga

10:20—Intermission. 10:40—255. Molecule formation in ultracold

three-body collisions. C. H. Greene, J. P. Burke Jr., B. D. Esry

11:20—256. Multiconical intersections, tunneling splitting, and nondegenerate ground states in Jahn-Teller effect dynamics. I. B. Bersuker, H. Koizumi, V. Z. Pol-inger, J. E. Boggs

11:40—257. Predissociation in the hydrocarbon flame bands of HCO. M. R. Manaa

Section G

Grand Hyatt Lafayette Park

* Physical Chemistry of Nucleic Acids: In Memory of Matt Petersheim Structure and Molecular Recognition

R. D. Sheardy, S. P. Kelty, Organizers L. D. Williams, J. Chaires, Presiding

8:10—Introductory Remarks. 8:20—258. Molecular recognition in RNA

folding and therapeutic design. D. H. Turner

9:00—259. How ions stabilize RNA tertiary structure. D. E. Draper, V. K. Misra, G. C. Conn

9:30—260. RNase H1 cleavage of RNA sites using hairpin DNA oligomers. R. M. War-tell, S. Yan

10:00—Intermission. 10:20—261. Rapid screening of structural

selective DNA binding ligands. J. B. Chaires

10:50—262. G-Quadruplexes and associated gene targets for drug design. L. H. Hurley, D. Bearss, H. Han, D. D. Von Hoff

JULY 24, 2000 C&EN 1 2 1

PHYS/TECHNICAL PROGRAM

11:20—263. Tetraplex DNA structures: Inherent stability and binding interactions with ligands. T. C. Jenkins


WEDNESDAY AFTERNOON


Chemistry Under Extreme Conditions High-Temperature Chemistry

R. Morris, Presiding 1:20—264. High-temperature gas-phase ki

netics. W. Tsang 2:00—265. Chemical kinetics at elevated

temperatures. A. Fontijn 2:40—266. Quantum rovibrational thermody

namics of really hot molecules using adaptive Fourier path-integral Monte Carlo methods. R. Q. Topper, D. Bergin, C. Briscoe, T. Isgro, J. Kirtland, D. G. Truhlar, S. L. Mielke, Y-P. Liu

3:00—Intermission. 3:20—267. Ion molecule chemistry at tem

peratures up to 1800 K. A. A. Viggiano 4:00—268. Shock tube studies of high-

temperature chemical kinetics: Advances enabled by new laser techniques. R. K. Hanson

4:40—269. IR spectroscopy of reactive transients by time-resolved Fourier transform emission spectroscopy. L. Letendre, D-K. Liu, C. D. Pibel, J. B. Halpern, H-L. Dai


Dynamics in Liquids Electronic Dynamics

R. J. Sension, Presiding 1:20—270. Ultrafast dynamics of geminate

radical ion pairs in polar solvents. B. Kohler, J. Peon, J. D. Hoerner, C. Xia

2:00—271. Inertial and diffusive dynamics of a nonpolar solute. M. A. Berg, Y. Zhang, M. Somoza, M. I. Sluch

2:20—272. Variable pump-wavelength pump-probe experiments on intervalence charge transfer. P. Kambhampati, D. H. Son, T. W. Kee, P. F. Barbara

2:40—273. Theory and simulation of the absorption and fluorescence of push-pull polyene molecules in solution. W. H. Thompson, D. Laage, M. Blanchard-Desce, J. T. Hynes

3:00—274. Femtosecond photon echoes and wavepacket reversibility in solution. D. M. Jonas, J. D. Hybl, A. W. Albrecht

3:20—Intermission. 3:40—275. Electrons dancing with mole

cules. A. Baltuska, M. S. Pshenichnikov, D. A. Wiersma

4:20—276. Electronic decoherence in the condensed phase: Electronic excited-state relaxation and electron transfer. P. J. Rossky


• Quantum Computing for the Next Millennium Advances in Coherent Control

H. Rabitz, Presiding 1:20—277. Laser cooling as a paradigm for

control of decoherence: A theory of purity increasing transformations. D. J. Tannor

2:00—278. Coherent control dynamics of rotational and vibrational degrees of freedom in wave packet superposition states. S. R. Leone, Z. Amitay, J. Ballard

2:40—279. Spatiotemporal femtosecond pulse shaping, spatiotemporal imaging, and spatiotemporal coherent control. R. M. Koehl, T. F. Crimmins, K. A. Nelson

3:20—Intermission. 3:40—280. Further development of the ex

tended STIRAP method for control of molecular dynamics. S. A. Rice, S. Shah, D. J. Tannor

4:20—281. Quantum measurement and realtime feedback. A. C. Doherty, H. Mabuchi

5:00—282. Complete measurement of molecular chiral superpositions. R. Harris


* Physical Chemistry of Nucleic Acids: In Memory of Matt Petersheim Molecular Recognition and Stability

R. D. Sheardy, S. D. Levene, Presiding 1:25—Introductory Remarks. 1:30—283. Specific recognition of the DNA

minor groove by heterocyclic dications. W. D. Wilson, L. Wang, C. Bailly, D. Ding, A. Kumar, D. W. Boykin

2:00—284. Binding of ligands large and small to DNA junctions, DNA hairpins, and carcinogen hotspots. S. Winkle, L. Agui-lar, R. Gonzales Jr., V. Pino, V. Ramsau-er, R. D. Sheardy

2:30—285. DNA structure and topology in Flp site-specific recombination. S. D. Levene, K. E. Huffman, I. K. Darcy

3:00—Intermission. 3:20—286. Interaction of minor groove li

gands to DNA oligomers containing one or two AAATT/TTTAA sites. S. Maiti, B. I. Kankia, L. A. Marky

3:50—287. DNA-cationic lipid complexes: Structure and stability. C. H. Spink

4:20—288. Influence of substituent modification on the energetics of ligand-DNA interactions. D. Graves, L. Velea



Industrial Applications in Theoretical Chemistry Gas- and Solution-Phase Reactivity and Properties

J. T. Golab, Presiding 1:20—289. DFT and reactivity in complex

systems: The fundamental things apply. D. R. Salahub

1:50—290. Computational studies of selective fluorination: Mechanisms and reactivity. H. Cheng, G. S. Lai, G. Pez

2:20—291. Data, methods, and software from NIST. K. K. Irikura

2:50—292. Development of a flexible and efficient software platform for geometry optimization in computational chemistry. T. C. Allison, C. A. Gonzalez

3:05—293. Complexity of kinetics and product channels for C2H3 + 02 . P. R. Westmoreland

3:35—Intermission. 3:55—294. Computational and experimental

studies of small aromatic radical reactions of relevance to incipient soot formation. M. C. Lin, J. Park, G. J. Nam, I. V. Tokma-kov, Y. M. Choi

4:25—295. Modeling mechanisms and kinetics of complex combustion systems. T. N. Truong

4:55—296. Frugal quantum chemist's approach to computational kinetics. C. A. Gonzalez, F. Louis, R. E. Huie, M. J. Kurylo


Very Low Temperature Spectroscopy and Dynamics Manipulation and Trapping of Ultracold Molecules

B. Friedrich, Presiding 1:20—297. Decelerating neutral dipolar mol

ecules. G. Meijer 2:00—298. Magnetic trapping of molecules.

J. M. Doyle 2:40—299. Optical trapping of ultracold mol

ecules. T. Takekoshi, B. Patterson, R. J. Knize

3:20—Intermission. 3:40—300. Atom-diatom collisions at very

low energy. R. C. Forrey 4:20—301. Dynamics of methane trapped in

fullerene interstices. G. H. Kwei, F. Trouw, B. Morosin, H. F. King

4:40—302. Ab initio studies of fluorofluoroxy-dioxirane (C02FOF) and its isomers. J. Song, M. R. Hoffmann


WEDNESDAY EVENING


Poster Session D. M. Neumark, Organizer 7:00-9:00 Atmospheric and Environmental

303. Intermediate species in the photodegra-dation of benzo[e]pyrene adsorbed on silica gel and alumina as models of the atmospheric particulate matter. S. E. Fioressi, R. Arce

304. Kinetics of soot nanoparticle oxidation. K. J. Higgins, H. J. Jung, D. B. Kittelson, J. T. Roberts, M. R. Zachariah

305. Computational and experimental determination of Henry's law constants of polynuclear aromatic hydrocarbons and polychlorinated biphenyls. T. C. Allison, D. Poster, R. E. Huie, H. A. Bamford, J. E. Baker

306. Equilibrium constant of the reaction OH + HN03 = H20 + N03 in aqueous solution. G. Poskrebyshev, P. Neta, R. E. Huie

307. Photoreduction of trichlorofluorometh-ane (Freon 11) in aqueous suspensions of Ti02. K. J. Winkelmann, G. Mills, R. L. Calhoun Jr.

Biophysical

308. Binding of imidazolium cations to calf thymus DNA. R. J. Morgan, J. Dillon, M. Adams, O. Morgan, R. J. Donovan

309. Molecular dynamics simulation study of TATA box binding protein-DNA complexes in solution. S. J. Suva, A. D. MacKerell Jr.

310. Purification, characterization, and crystallization of Rhodobacter sphaeroides photosynthetic reaction center. C. P. Wia-mer, M. Chiu

311. Anomalous migration of DNA in gel and in solution. U. Mohanty

312. Computational study of inhibition of the Hha I cytosine-C5-methyltransferase by conformationally constrained abasic oligonucleotides. N. K. Banavali, P. Y. Wang, V. E. Marquez, A. Brank, J. K. Christman, A. D. MacKerell Jr.

313. Effect of proximal heme ligand exchange on distal ligand vibrational frequencies in the heme domain of soluble guanylate cyclase. J. P-M. Schelvis, Y. Zhao, M. A. Marietta, G. T. Babcock

314. Electrochemical and spectroscopic studies of porphyrin dendrimers. M. J. Kim, H. Tang, D. E. Nikles

315. Nature of hydrogen bonding in proteins and enzymes revealed by NMR and AIM theory. W. D. Arnold, E. Oldfield

316. Stochastic resonance effects in diffusion through models of ion channels. K. R. Rodriguez, H. L. Martinez

317. Characterization of fibrous long spacing collagen structure: A comparison of AFM and TEM data. M. F. Paige, A. C. Lin, J. K. Rainey, M. C. Goh

318. Effect of membrane-buffer partition and membrane charge on semiquinone dispro-portionation. A. E. Alegria, G. Santiago, V. Castro, J. Morant, B. I. Rosario, M. Lopez

319. Electronic spectroscopy of the epidermal chromophore urocanic acid in a supersonic jet. W. L. Ryan, D. H. Levy

320. Interdependence of curvature and the local structure of model membranes. T. G. D'Onofrio, A. Hatzor, R. K. Smith, C. D. Keating, M. Natan, P. S. Weiss

321. Nucleotide-protein interactions: Directed aggregation of collagen. R. Rakhit, M. F. Paige, M. C. Goh

322. Photocycle dynamics in bacteriorhodop-sin as a function of lipid environment. T. M. Masciangioli, J. K. Rice

323. Photoinduced electron transfer for "pho-toligands" site specifically bound in proteins. Y. Sheng


324. Sulfur K-edge analysis of biological materials by near edge X-ray absorption fine structure. H. E. Canavan, W. E. O'Grady, D. E. Ramaker

325. Calorimetric analysis of the binding of apoE isoforms to phospholipid bilayers. P. Acharya, Z. Mohamed, J. Morrow, K. Weisgraber, M. Phillips, S. Lund-Katz, J. Snow

326. Monitoring collagenolysis of fibrous long spacing collagen in real time using atomic force microscopy. A. C. Lin, M. F. Paige, M. C. Goh

327. Development of a model biomembrane system to test for antioxidant activity of various compounds. J. J. Metzler, P. S. Acharya, J. Snow

328. NMR solution-state structures of duplex DNA dodecamers containing frans-syn(l) and frans-syn(ll) cyclobutane thymine dimers. W. Li, Y. Ren, J. F. L. Kao, J-S. Taylor

329. Chain-breaking phenolic antioxidants: TG, DSC, NMR, and IR study of activity and steric effect of ortho-a\ky\ groups. G. Litwinienko, K. Baczek, T. Kasprzycka-Guttman

330. Ab initio studies on the mechanism of tyrosine coupling. I. L. Shamovsky, G. M. Ross, R. J. Riopelle

331. Effect of the protein conformation change on bacteriorhodopsin photocycle efficiency. J. Wang, M. A. El-Sayed

332. Molecular dynamics simulations and metal-binding properties of a functional fragment of silver hake parvalbumin (iso-form B). D. J. Nelson, R. Pitts, Κ. Μ. El-kins, S. P. Revett

333. Solubility of β-carotene in pure and mixed solvents. T. Kasprzycka-Guttman, A. Treszczanowicz, T. Treszczanowicz

334. Transient absorption studies of the per-idinin chlorophyll-a protein light-harvesting complex. B. P. Krueger, S. S. Lampoura, I. H. M. van Stokkum, J. M. Salverda, C. C. Gradinaru, D. Rutkauskas, R. G. Hiller, R. van Grondelle

Condensed Phase and Interfaces

335. Atomic insight into hydrodesulfurization. P. Han, S. A. Kandel, J. G. Kushmerick, P. S. Weiss

336. Changes in temperature during excimer laser ablation of conducting polymers of polythiophene and poly-alkylthiophene films. T. Ishii, K. Tsunoda, H. Yajima

337. Investigations of the 2-D confined inter-facial water structures by sum frequency generation spectroscopy. J. Kim, G. Kim, P. Cremer

338. Molecular dynamics simulations of the ethanol/water interface. R. L. Shields, R. S. Taylor

339. Soft mechanochemical reactions: An overview. J. F. Fernandez-Bertran

340. Ultrafast observation of the 4T2 -> 2E in-tersystem crossing in a Cr(lll) complex. E. A. Juban, J. K. McCusker

341. Ultrafast photophysical study of self-assembled complexes between anionic porphyrins and cationic phthalocyanines. A. Gusev, E. Danilov, M. A. J. Rodgers

342. Dye aggregation on quartz surfaces: Quantification by UV-vis spectroscopy and atomic force microscopy. S. M. Ohline, S. Lee, S. Williams, C. Chang

343. Mechanisms of collision-assisted etching of silicon. J. Zhang, T. K. Minton

344. Novel light-emitting devices using cadmium selenide nanocrystals. V. C. Sundar, J. Lee, J. R. Heine, M. G. Bawen-di, K. F. Jensen

345. Photophysical studies of cysteine-capped cadmium sulfide nanoparticles. C. R. Luman, F. N. Castellano

346. Reaction of gas-phase atomic bromine with hydrogen chemisorbed on a silicon surface. Y. H. Kim, J. Ree, K. H. Moon, H. K. Shin

122 JULY 24, 2000 C&EN

347. Second harmonic generation from ox-azine dyes at the air/water interface. D. A. Steinhurst, J. C. Owrutsky

348. Ab initio molecular orbital study on the prediction of dielectric constant for organic liquids. H. Sato, W. Sotoyama, T. Hayano, A. Matsuura, T. Narusawa

349. Comparative study of solubility of C60

and C60-piperazine in organic solvents. J. Tian, A. L. Smith

350. Preferential solvation of ADMA [1-(9-anthryl)-3-(4-/V,/V-dimethylaniline)propane] in hexane-ethanol and THF-cyclohexane mixtures. M. Khajehpour, J. F. Kauffman

351. Density functional theory study of the desorption of hydrogen from the Si(100) surface. J. A. Steckel, K. D. Jordan

352. Resonance Raman investigation of MLCT transitions in metal-acetylide compounds. D. L. Phillips, Y. F. Cheng, C. L. Choi, C. M. Che, B. Xia, V. W-W. Yam, C. Yip

353. Scanning tunneling microscopy characterization of model silicon/silicon oxide interfaces. M. Banaszak Holl, K. Schneider, B. Orr

354. Time-resolved resonance Raman and density functional theory investigation of substituent effects on triplet states and radical cations of halogenated biphenyl compounds. D. L. Phillips, C. W. Lee, D. Pan, L. C. T. Shoute

Gas Phase and Clusters

355. Rotational and translational energy transfer in collisions between highly vibra-tionally excited pyrazine and CO. Q. Ju, N. Seiser, E. Sevy, J-Y. Cai, G. Flynn

356. Formation of a plasma and novel hydrides from incandescently heated hydrogen gas with certain catalysts. R. Mills, B. Dhandapani, N. Greenig, J. He, J. Dong, Y. Lu, H. Conrads

357. Observation of predicted resonance structure in the H + D2 -> HD (v' = 0,/' = 7) + D reaction. S. Moser, L. Jayasinghe, N. Shafer-Ray

358. Geometry of electronically excited states: Vibronic intensity distributions and bond-length changes. D. M. Wood

359. Addition and metathesis reactions of chlorine and aliène studied by ab initio calculations. J. W. Hudgens, C. A. Gonzalez

360. Vibronic spectra of organic molecules in helium droplets. A. Lindinger, D. M. Neu-mark, J. P. Toennies, A. F. Vilesov

361. Helium, neon, and argon clusters: Ground states, vibrationally excited states, and fragmentation geometries. D. Blume, C. H. Greene

362. IR study of the icosahedral shell closing in Cr-H20-Arm (m =1-13) clusters: Using water as a probe of structural isomers. K. M. Lisle, J. A. Kelley, W. H. Robertson, M. Johnson

363. Application of a molecular lens formed by focusing an IR laser pulse to benzene and CS2 molecular beams. D. S. Chung, H. Chung, B. S. Zhao, S. H. Lee, S. Hwang, K. Cho, S. H. Shim, S. M. Lim, J. Yu, W. K. Kang

364. Bond-energy ratios in valence isoelect r i c series of inorganic species. C. A. Deakyne, W. Zheng, L. Li, J. F. Liebman

365. Conformational structures containing intramolecular hydrogen bonds. R. J. Lavrich, C. R. Torok, M. J. Tubergen

A Catalysis



• Environmental


Sciences 4» Science & Intellectual

Policies

366. Influence of the 4ς -» kç shape resonance in CO on rotational distributions of CO+(B2Z+) photoions. G. R. Farquar, Ε. D. Poliakoff

367. Molecular structure of OCS-N20. H. 0. Leung, A. M. Osowski, O. A. Oyeyemi

368. Phase changes in small water clusters. A. Tharrington, K. D. Jordan

369. Rotational analysis of a b-type ring mode vibrational band of oxetane at 1008.4 cm"1. M. D. Marshall, D. K. Bae

370. Structural and spectral properties of rare cation clusters: Monte Carlo simulations with and without many-body polarization. J. A. Gascon, R. W. Hall

371. Vinyl radical: Visible spectroscopy and excited-state dynamics. C-H. Yang, M. Shahu, M. Bouadani, C. D. Pibel, K. H. Patrick, J. B. Halpern, A. Mcllroy, C. A. Taatjes

372. Analysis of electronic spectra of dimeth-ylzinc and perdeutero-dimethylzinc cations. F. J. Grieman, S. F. Cotton, T. R. Brewer

373. Energy minimization of mixed binary Lennard-Jones clusters using a parallel basin-hopping algorithm. L. J. Munro, K. D. Jordan

374. Molecular disorientation: Collisional effects on angular momentum orientation in acetylene. J. B. Halpern, A. D. Rudert, J. Martin, W-B. Gao, H. Zacharias

375. Theoretical study of the low-lying electronically excited states of Γ(Η20)4. F. D. Vila, K. D. Jordan

376. Ab initio and DFT calculations of the di-pole polarizability and the second dipole hyperpolarizability of benzene. H. Soscun, J. Hernandez, R. Escobar, Y. Alvarado, A. Hinchliffe

377. Investigation of the electronic structure of transition-metal clusters and nonstoi-chiometric ΑΙ-alloy clusters. L-S. Wang, X. Li, H-F. Zhang, A. I. Boldyrev

378. Low-temperature limitations to the use of virial and Chapman-Enskog expressions to determine Lennard-Jones force constants. C. L. Knauer

379. Near-IR laser spectroscopy of FeC and HfS. A. S-C. Cheung, J. W-H. Leung, W. S. Tarn, Q. Ran

380. NH2 A2Ai radiative lifetimes. Κ. Η. Patrick, M. He, J. B. Halpern

381. Physicochemical properties of hydrated complexes in Earth's atmosphere. J. E. Headrick, V. Vaida

382. Reactions of C3N radicals and HC3N metastables. T. A. Titarchuk, J. B. Halpern

383. Spectroscopic studies of cluster species. E. S. Wisniewski, D. E. Folmer, A. W. Castleman Jr.

Materials, Macromolecules, and Nanoscience

384. 2-D dopant profiling at high spatial resolution using a tunable microwave frequency AC scanning tunneling microscope. G. S. McCarty, Z. J. Donhauser, B. A. Mantooth, P. S. Weiss

385. Dependence of fluorescence spectra of PIC J-aggregates on their size. I. A. Stru-ganova, R. Garcia

386. Nonlinear mixing at high frequency in the AC STM tunnel junction as a molecular-scale electronic probe. L. A. Bumm, Z. J. Donhauser, G. S. McCarty, P. S. Weiss

387. Synthesis of Si02-carbon nanotubes mi-crorods and their applications in reinforcements of ceramics. K. C. Hwang

388. Photophysical properties of styryl-7 in organic media. G. Jones II, O. Klueva

Theory

389. Classical study of the isomerization dynamics for high angular momentum states of HCN. R. C. Mayrhofer, J. Kubeika

390. Ab initio ground-state potentials for some noble gas monohalides. G. J. Hoffman, M. Colletto, L. A. Swafford, R. Dan-nell, R. J. Cave

391. Theoretical study of solvent effects on photoinduced double proton transfer in 7-azaindole. M. A. Cooper, N. Shabe-stary, J. E. Eilers

392. Bond breaking and molecular conductance. V. Mujica, C. Mina, M. A. Ratner

393. Kinetics and mechanism for the reaction of OH with HN03 : An ab initio MO/ statistical theory study. W. Xia, D. Chakraborty, M. C. Lin

394. Simulation of the He I photoelectron spectrum of CI02 with the inclusion of an-harmonicity and Duschinsky effects. D. Wang, D. K. W. Mok, E. P. F. Lee, F-T. Chau, J. M. Dyke

395. Theoretical and experimental studies of Stokes and anti-Stokes resonance Raman excitation profiles of Zn and Fe porphyrins. H-H. Tsai, P. M. Hare, J-S. Ryu, M. C. Simpson

396. Theoretical and experimental study of association of pyridine. T. Kasprzycka-Guttman, E. Megiel

397. Theoretical calculations of voltage-dependent STM images for acetylene on Si(100) surface. F. Wang, D. C. Sorescu, K. D. Jordan

398. Theoretical investigation on the effects of π-conjugation attenuation of poly(p-phenylenevinylene) polymers upon incorporating 2,2'-bipyridines. G. Chen, M. F. Ng, D. Zhou, S. Yokojima

399. Theoretical study on rotamers of double hydrogen bonding urea dimers. S-Y. Chu, H-Y. Liao

Chemistry Under Extreme Conditions

400. Hydrogen production in the radiolysis of absorbed water. J. A. LaVerne, L. Tandon

401. FTIR reaction monitoring in alcohols and water up to 500 °C and 1000 bar. M. Poliakoff, S. J. Barlow, G. V. Bondarenko, Y. E. Gorbaty

402. Laser-induced decomposition of TATB at pressure to 2.0 GPa. S. M. Peiris, G. I. Pangilinan, T. P. Russell

403. Probing the deflagration chemistry of RDX at static high pressures. G. I. Pangilinan, T. Botcher, H. D. Ladouceur, T. P. Russell

404. Vibrational analysis of CdSe quantum dots: Evidence for surface reconstruction. R. W. Meulenberg, G. F. Strouse

405. Abstraction of deuterium from D/AI(111) by state-selected NH3

+. D. C. Jacobs, M. Maazouz, P. Maazouz

406. Chemical kinetics in supercritical water: A stirred reactor with direct substrate injection and on-line sampling. J. A. Man-ion, W. Tsang, V. Anikeev

407. Experimental and theoretical studies of nitrogen cluster surface-induced dissociation. G. H. Peslherbe, D. Koch, H. Vach

408. Kinetics of the reaction AI(2P) + SF6 in the temperature range of 300-600 K. N. L. Garland, J. K. Parker

409. Multiple-contact ion-molecule binding: An IR study of the Γ-HCOOH complex. W. H. Robertson, J. A. Kelley, K. M. Lisle, M. Johnson

410. Electronic, rovibrational, and translational energy effects in ion-alkylbenzene charge-transfer reactions. S. Williams, A. Midey, S. Arnold, R. Morris, A. Viggiano, Y-H. Chiu, D. Levandier, R. Dressier, M. Berman

411. Novel intermediate in the hydrothermal reaction of an organoazide. D. Miksa, T. B. Brill

Dynamics in Liquids

412. Clustering of cooperatively moving monomers in a glass-forming polymer liquid. Y. Gebremichael, T. B. Schroeder, S. C. Glotzer

413. Direct observation of power law behavior in the asymptotic relaxation to equilibrium of diffusion influenced AB = A + Β bi-molecular reaction. E. Pines, D. Pines


414. Novel method for simultaneous determination of reaction parameters: A key to unravel the complicated systems. A. Fattahi, T. Solouki

415. Optical probe studies of a glasslike transition in the monomer-dimer equilibrium of methylene blue in glycerol. E. L. Quitevis, F. W. Weaver

416. Autoregressive analysis of vibrational dephasing of liquids confined in nanopo-rous glass: Pore-size dependence. E. L. Quitevis, R. E. Wilde

417. Computer simulations of solvation in supercritical fluids. N. Patel, R. Biswas, M. Maroncelli

418. Dynamic exploration of the charge-transfer reaction in PYRBN. K. Dahl, M. Maroncelli

419. Experimental and theoretical analysis of the rotational motion of C60 in haloben-zenes. A. A. Rodriguez, N. H. Martin, R. A. Mclntyre, M. Issa, X. Shang

420. Femtosecond IR study of the dephasing and population relaxation of anharmonical-ly coupled vibrations in solution. O. Golonzka, N. Demirdôven, M. Khalil, A. Tokmakoff

421. Femtosecond Kerr studies of non-ideal solutions: Aqueous dimethyl sulfoxide. P. P. Wiewior, H. Shirota, E. W. Castner Jr.

422. Hydrogen-bond interactions and dynamics in aqueous polymers: Polyacrylamide. H. Shirota, E. W. Castner Jr.

423. Intermolecular dynamics and structure in binary solutions of water with form-amides. P. P. Wiewior, H. Shirota, E. W. Castner Jr.

424. Investigation of the wavelength-dependent properties of resonant third-order time domain spectroscopies. K. Ohta, D. S. Larsen, M. Yang, Q-H. Xu, G. R. Fleming

425. Investigations of solvent clustering in aqueous 1-propanol solutions. H. Shirota, E. W. Castner Jr.

426. Liquid-state molecular organization in benzene/hexafluorobenzene mixtures. T. Baldacchini, J. T. Fourkas, B. Lough-nane, A. Scodinu

427. Phase-sensitive detection for 1-D and 2-D nonresonant Raman spectroscopy. O. Golonzka, M. Khalil, N. Demirdôven, A. Tokmakoff

428. Surface-mediated solvation at solid/ liquid interfaces. R. A. Walker, X. Zhang

429. Ultrafast dynamics of gold nanoparticles embedded in a dendrimer host. J. S. Melinger, V. D. Kleiman, D. McMorrow, F. Grôhn, B. J. Bauer, E. J. Amis

430. Raman scattering and NMR diffusion study of liquid ethylene glycol confined to nanoporous silica glasses. R-S. Luo, J. Jonas

431. Excited-state dynamics of chlorine dioxide from resonance Raman intensity analysis. A. Esposito, C. Foster, P. J. Reid

432. Pressure dependence of the average proton lifetime in liquid water at low temperatures. R-S. Luo, L. Ballard, J. Jonas

Femtochemistry

433. Different surface modification methods to allow electron-hole recombination in semiconductor nanoparticles. C. Burda, S. Link, R. B. Little, M. Mohamed, M. A. El-Sayed

434. Femtosecond electronic absorption of vibrationally excited CH2I2 in solution: Watching the energy flow from bond to bond. A. M. King, D. Bingemann, F. F. Crim Jr.

435. Friction on macroscopic and molecular time scales and chemical dynamics in liquids. S. A. Adelman, R. Ravi

436. Isotope and temperature effect of proton transfer rate from extremely strong amine photoacids. T. Barak, D. Pines, E. Pines

437. Photophysical investigation of substituted cyclopropenylium cations: The smallest aromatic system. L. Zang, X. Yang, A. Gusev, D. C. Neckers, W. Zhang, M. A. J. Rodgers

JULY 24, 2000 C&EN 1 2 3

PHYS/POLY^ECHNICAL PROGRAM

438. Solar cell sensitizer dynamics and electron transfer. J. E. Monat, D. Kuciauskas, N. S. Lewis, J. K. McCusker

439. Unexpected signal in ultrafast gas-phase four-wave mixing. I. Pastirk, B. I. Grimberg, V. V. Lozovoy, M. Dantus

440. Coherent control through molecular phase manipulation in resonantly enhanced multiphoton dissociation-ionization of SOg. H-L. Dai, B. Xue, J. Han

441. Excited-state dynamics and rapid internal conversion in "stable dipoles" molecules. G. D. Reid, G. S. Beddard, B. J. Whitaker, D. Whittaker

442. Femtochemistry of photochromic spiro-compounds. S. A. Antipin, A. N. Petrukhin, F. E. Gostev, V. S. Marevtsev, O. M. Sarkisov

443. Femtochemistry of the paradigm Nal molecule in solution and clusters. G. H. Peslherbe, B. M. Ladanyi, J. T. Hynes

444. Femtosecond absorption spectroscopy of transition-metal-based chromophores: Redefining the rules for inorganic photo-physics. J. K. McCusker

445. Femtosecond probing of photodissociation dynamics in acetyl cyanide. P-Y. Cheng, l-R. Lee, Y-C. Chung

446. Withdrawn. 447. Mechanism of the reaction, CH4 +

0(1D2) -> CH3 + OH, studied by ultrafast and state-resolved photolysis/probe spectroscopy of the CH4O3 van der Waals complex. R. D. van Zee, C. C. Miller, J. C. Stephenson

448. Photoinduced dynamics in solid hydrogens. M. Chergui Sr., F. Vigliotti

449. Simulation of coherent nonadiabatic femtochemistry using classical trajectories. C. C. Martens

450. Ultrafast energy redistribution in fullerenes. M. Chergui, A. Spiridon, F. Vigliotti, B. Lang, M. Portella-Oberli

451. Ultrafast nonradiative decay of electronically excited methyl viologen in water. J. Peon, J. D. Hoerner, C. Xia, B. Kohler

452. Nanoscale shock wave spectroscopy: A direct view of coherent ultrafast bath dynamics. C. C. Martens, D. Kohen

453. Femtosecond dynamics of intramolecular electron transfer in photoexcited meso-tetraferrocenylporphyrins. V. A. Nad-tochenko, O. M. Sarkisov, N. M. Loim

454. Short time dynamics of alkali atoms on the surface of superfluid helium droplets: Ripplon excitation and desorption. F. Stienkemeier, C. P. Schulz

455. Ultrafast spectroscopic studies of coenzyme B12 derivatives and analogs. A. G. Cole, N. Anderson, J. J. Shiang, R. J. Sension

456. Ultrafast studies of methyl sulfonyl uni-molecular dissociation dynamics. J. C. Owrutsky, A. P. Baronavski

457. Vibrational coherences: Coherent control and excitation dynamics. V. D. Kleiman, D. McMorrow, J. S. Melinger

Frontiers in Biophysical Theory

458. Calculated vibrational circular dichroism of nucleic acid monomers utilizing DeVoe polarizability theory with ab initio input parameters. D. S. Moore, S. D. Ferber

459. Cholesterol-phospholipid complexes in membranes. A. Radhakrishnan, H. M. McConnell

460. Sequence similarity between APP and prion protein may suggest a common mechanism in the diseases. C. M. Yang

461. Thermodynamic model of multiple phospholipid-cholesterol complexes in membranes. T. Anderson, H. M. McConnell

462. Anomalous migration of DNA in gel and in solution. U. Mohanty

463. Computational investigations of ben-zylpenicillin and the metallo^-lactamase from B. fragilis. F. R. Salsbury Jr., C. L. Brooks

464. Conformational cycle of a single working enzyme. N. Agmon

465. Docking of organic cations on negatively charged polymers: A model for biological host/guest complexes. E. Pines, D. Pines, J. Cohen, Y. Zhao, V. Khutorsky, Z. Priel

124 JULY 24, 2000 C&EN

466. Electron propagator theory of purine and pyrimidine ions and their water complexes. J. V. Ortiz

467. Extended-state space sampling: Multiple Markov chain methods and annealing. S. B. Opps, J. Schofield

468. Folding of bacteriorhodopsin as a membrane channel creates a minimal surface of revolution. D. Gurel, O. Gurel

469. Fourier transform waveform analysis of pulsed electric fields and microorganism inactivation. P. Love

470. Interaction between bFGF and anti-angiogenic drug suradista: A possible induced-fit mechanism. A. H. Parola, C. Hariharan, R. Cohen-Luria, Z. Moreno, E. Pines, A. Yayon

471. Predicting biomolecular recognition phenomena using the TAE/RECON method. N. Sukumar, C. M. Breneman, C. B. Maz-za, S. Cramer

472. Variational theory for charged objects in ionic solutions. L. Blum, J. Hernando, E. Velazquez, O. Bernard

473. Xanthene dye aggregation on polypeptide electrolytes. V. I. Vullev, G. Jones II, P. Velev

474. Electronic propagation in DNA. G. S. M. Tong, I. V. Kurnikov, D. N. Beratan

Industrial Applications of Theoretical Chemistry

475. Ab initio MO and rate constant calculations for the NCO + NO reaction. R. Zhu, M. C. Lin

476. Cationization effect on the molecular weight distribution of an ethoxylated polymer: A combined theoretical and time-of-flight secondary ion mass spectroscopic study. H. Cheng, P. A. C. Clark, S. D. Hanton, P. W-C. Kung

477. Chemical vapor deposition modeling based on first principles: How far can we go beyond empiricism? A. A. Korkin

478. Computer-aided design of propane am-moxidation catalyst. J. Deng, T. R. Cundari

479. Kinetics and mechanism for the reaction of phenyl radical with formaldehyde. Y. M. Choi, W. Xia, J. Park, M. C. Lin

480. Kinetics of the reactions of C6H5 with C6H5C2HX (x= 1, 3). G. J. Nam, I. V. To-kmakov, J. Park, M. C. Lin

481. Mechanism and absolute rate coefficients for the reaction of phenyl radical with acetylene: A theoretical study. I. V. Tokmakov, M. C. Lin

482. Molecular simulation study of miscibility in polymer solutions and blends. S. S. Pat-naik, R. Pachter

483. Molecular-elastohydrodynamic modeling of tribochemical processes. D. Ben-Amotz, Β. Ε. Taylor

484. Acidity of Bronsted acid sites of zeolites. H. Soscun, J. Hernandez, O. Castellano

485. Simulating phase equilibria: Applications to octanol-water partitioning and gas-liquid chromatography. J. I. Siepmann, B. Chen, C. D. Wick, M. R. Schure

486. Quantum mechanical study of the protonation and covalent hydration of quinazo-line in the presence of metal cations. P. Sawunyama, G. W. Bailey

487. Ab initio molecular geometry and normal coordinate analysis of pyrrolidine. T. M. El Gogary, M. S. Soliman

488. Artificial intelligence in catalyst design. T. R. Cundari, J. Deng, Y. Zhao

489. Energetics of the interaction of nitric oxide with alkali metal atoms. E. Vayner, D. W. Ball

490. NIST computational chemistry comparison and benchmark database. R. D. Johnson III

491. Activated proton transport in the transition state of dual acid-catalyzed dehydro-condensation of alcohols to ethers. K. Kli-er, Q. Ma

Proton Transport in Liquids, Solids, and Proteins

492. Important sampling Monte Carlo method for ab initio simulations of reactive systems. J. Schofield, R. Iftimie

493. Computational studies of the mechanism for proton and hydride transfer in liver alcohol dehydrogenase. P. K. Agarwal, S. P. Webb, S. Hammes-Schiffer

494. Donor-acceptor vibration effects on free-energy relations and kinetic isotope effects for proton transfer reactions in solution. P. Kiefer, J. T. Hynes

495. Isotope effect in hydrogen diffusion in metals. J. K. Baird

496. Modeling proton transfer reactions in zeolites. J. M. Vollmer, T. N. Truong

497. Solutions of the mixed quantum-classical Liouville equation: A new method for performing nonadiabatic molecular dynamics. J. Schofield, C. Wan

498. Time-resolved study of the inner space of lactose permease. E. Nachliel

499. Mixed quantum/classical molecular dynamics simulations of hydride transfer catalyzed by liver alcohol dehydrogenase. S. R. Billeter, P. K. Agarwal, S. P. Webb, S. Hammes-Schiffer

500. Proton diffusion in low-temperature rare gas matrices. M. K. Beyer, G. Niedner-Schatteburg, E. V. Savchenko, V. E. Bondybey

501. Proton transfers in triosephosphate isomerase: Reaction pathways and tunneling coefficients from QM/MM calculations. Q. Cui, M. Karplus

502. Quantum/classical time-dependent self-consistent field methods for reaction dynamics in solvated environments. L. Wang, A. B. McCoy

503. Enhanced computational studies of proton-coupled electron transfer reactions through asymmetric salt bridges in solution. I. V. Rostov, A. V. Soudackov, S. Hammes-Schiffer

504. Theoretical investigation of nuclear quantum effects in hydride transfer catalyzed by liver alcohol dehydrogenase. S. P. Webb, P. K. Agarwal, S. Hammes-Schiffer

505. Influence of site-specific hydrogen-bonding interactions on the photophysical properties of oxygen photoacids. B-Z. Magnes, D. Pines, E. Pines

506. Mixed quantum/classical molecular dynamics simulation of photoinitiated proton-coupled electron transfer. M. N. Kobrak, S. Hammes-Schiffer

507. NMR and X-ray studies of a low barrier hydrogen bond in the mechanism of meth-ylglyoxal synthase. T. K. Harris, G. T. Marks, M. A. Massiah, A. S. Mildvan, D. H. T. Harrison

508. Spectroscopic evidence for partial arginine-82 deprotonation in bacteriorho-dopsin's photocycle. M. S. Braiman, M. S. Hutson, S. V. Shilov, U. Alexiev, K. J. Wise

Quantum Computing for the Next Millennium

509. State-selective coherent control and phase-sensitive measurements in Li2. Z. Amitay, J. Ballard, S. R. Leone

510. Quantum computing with nuclear spins in semiconductor structures. V. Privman

THURSDAY MORNING


Chemistry Under Extreme Conditions High-Temperature Chemistry

S. Williams, Presiding 8:4fJ—511. Subatomic, atomic, and molecu

lar thermometers for cavitational collapse. L. S. Bernstein

9:20—512. Conditions during cavitational collapse. W. B. McNamara III, Y. T. Diden-ko, K. S. Suslick

10:00—513. Multibubble sonoluminescence as a probe of acoustic cavitation and sonochemistry. W. B. McNamara III, Y. T. Didenko, K. S. Suslick

10:20—Intermission. 10:40—514. Mechanisms of laser ablation

from molecular dynamics simulations. B. J. Garrison, L. V. Zhigilei

11:20—515. Molten salts near a charged surface: Integral equation approximation for a model of KCI. A. D. J. Haymet, G. Goodyear, M. J. Booth


11:40—516. Structure determination of mixed clusters by surface scattering. H. Vach, E. Fort, N. Chaabane, G. Jundt, M. Chatelet, A. De Martino, F. Pradere


Dynamics in Liquids Single Molecules

R. M. Stratt, Presiding 8:20—517. Optical studies of single biomole-

cules in aqueous environments. W. E. Mo-erner, S. Brasselet, B. Lounis, E. J. G. Pe-terman, H. Sosa, L. S. B. Goldstein

9:00—518. Near-field optical studies of localized reorientation phenomena in individual micrometer-sized liquid-crystal droplets. D. A. Higgins, E. Mei, X. Liao

9:40—519. Molecular unraveling under flow. R. Larson, T. Perkins, D. Smith, H. Hu, L. Li

10:20—Intermission. 10:40—520. Single-molecule studies of rota

tional dynamics in supercooled liquid and polymer systems. L. A. Deschenes, D. A. Vanden Bout

11:20—521. Single-molecule conformational dynamics of proteins. H. Yang, P. Karn-chanaphanurach, X. S. Xie


• Quantum Computing for the Next Millennium Molecular and Materials Design Strategies and Requirements

D. D. Awschalom, Presiding 8:00—522. Coupling semiconductor nano-

crystals to a fused-silica microsphere: Toward entanglement of quantum dots. H. Wang

8:40—523. Self-assembled quantum dot lattices and spectroscopy of single quantum dot molecules. P. M. Petroff, W. Schoen-feld, C. Metzner, B. Gerardot, H. Lee, J. Johnson, J. Speck

9:20—524. Colloidal semiconductor quantum dots. A. P. Alivisatos

10:00—Intermission. 10:20—525. Toward a molecular electronics-

based computing machine. J. Heath 11:00—526. Molecular interconnects: Bridge

building for charges. V. Mujica, M. A. Rat-ner, A. Nitzan

11:40—527. Electronic properties of assemblies of quantum nanodots. F. Remade


* Physical Chemistry of Nucleic Acids: In Memory of Matt Petersheim Structure and Dynamics

A. S. Benight, S. Winkle, Presiding 8:15—Introductory Remarks. 8:20—528. Structures of modified DNA oli

gomers and RNA hairpins. T. R. Krugh 8:50—529. Nucleic acid database: Present

and future. Η. Μ. Berman 9:20—530. Unexpected interactions between

common cations and DNA. L. D. Williams 9:50—531. DNA bending: Dynamic bending

vs. conformational change. J. M. Schurr, A. N. Naimushin, B. S. Fujimoto

10:20—Intermission. 10:40—532. Picosecond "solvation" dynam

ics in DNA. M. A. Berg, E. B. Brauns, C. J. Murphy, M. L. Madaras, R. S. Coleman

11:10—533. Time-resolved fluorescence and anisotropy of free and DNA-bound fluores-cently labeled nucleotides. A. A. Heikal, J. Korlach, W. W. Webb


Section E Grand Hyatt Independence Ballroom I

Industrial Applications in Theoretical Chemistry Gas- and Solution-Phase Reactivity and Properties

S. J. Fitzwater, Presiding

8:20—534. COSMOtherm: A powerful tool for the calculation of solvation effects and phase equilibria. A. Klamt, F. Eckert

8:50—535. Computational look at two polymerization processes: Branching in butyl acrylate polymerization and thermal initiation of styrene polymerization. S. J. Fitzwater

9:20—536. Solid-fluid interfaces and phases in additized lubricants. R. B. Saeger, L. J. Altman, A. K. Samuels, G. H. Lee, P. J. Débets, A. Jackson

9:50—537. Global quantitation of chemical reaction thermodynamics in solution. A. D. Gift, Β. Ε. Taylor, Y. Melendez, D. Ben-Amotz

10:05—Intermission. 10:25—538. Molecular modeling at Dow

Chemical Company. N. G. Rondan 10:55—539. New product development using

computational molecular science. J. T. Golab

11:25—540. What do you or I know about formulation? D. B. Nicolaides

11:40—541. Calculated EFG tensors for amido- and imidoalanes as models for MAO. R. W. Hall, C. R. Harwell, P. L. Bryant, A. A. Mrse, L. S. Simeral, L. G. Butler


Femtochemistry: 1999 Nobel Prize Symposium M. Dantus, Organizer M. Chergui Sr., Presiding 8:00—542. Femtosecond techniques to mon

itor and control chemical reactions on isolated molecules. T. Baumert

8:40—543. Some interesting observed properties of metals confined in time and space of different shapes. M. A. El-Sayed

9:20—544. Ultrafast interferometry studies of light localization in photonic structures. Y-H. Liau, N. F. Scherer

10:00—Intermission. 10:20—545. Time-dependent electronic den

sity matrix simulations of nonadiabatic photodynamics in molecules and aggregates. S. Mukamel, M. Tommasini, V. Chernyak, C. Scheurer

11:00—546. Time-resolved dynamics in anion clusters using femtosecond photoelec-tron spectroscopy. D. M. Neumark

11:20—547. Femtosecond energy-transfer dynamics in iron-sulfur proteins. D. Zhong, A. H. Zewail

11:40—548. Dynamic stark shifting of molecular energy levels by femtosecond laser pulses. R. B. Lopez-Martens, T. W. Schmidt, G. Roberts

A Catalysis




Sciences


THURSDAY AFTERNOON


Chemistry Under Extreme Conditions Low-Temperature Chemistry

M. Smith, Presiding 2:00—549. Environmental effects of molecu

lar complexes. V. Vaida 2:40—550. Applications of strong fields in

condensed matter. V. A. Apkarian, A. Benderskii, R. Zadoyan, M. Petterson, J. Eloranta

3:2fj—Intermission. 4:00—551. Isolation and infrared spectro

scopic characterization of exotic ion-molecule complexes using argon cluster mediated synthesis. M. Johnson

4:40—552. Molecules in strong electric fields: Using ions in clusters. J. M. Lisy



Dynamics in Liquids Selected Topics

J. Fourkas, Presiding 2:00—553. Dynamics of a filled polymer melt

from molecular dynamics simulations. F. W. Starr, T. B. Schroeder, S. C. Glotzer

2:20—554. Growth of dynamic heterogeneities during physical aging of high-enthalpy glasses. M. T. Cicerone, N. Kimbler

2:40—555. Incoherent quasielastic neutron scattering from fructose-water solutions. M. R. Feeney, C. M. Brown, A. M. Tsai, D. A. Neumann, P. G. Debenedetti

3:00—556. Anomalous dynamics in molecular liquids. M. G. Guenza

3:20—557. Transient structures of liquids by means of time-resolved X-ray spectroscopy (EXAFS). P. M. Rentzepis, D. A. Ou-lianov, I. V. Tomov

3:40—Intermission. 4:00—558. Analysis of the 1,4-dioxane

anomaly using the ADMA [1-(9-anthryl)-3-(4-/V,/V-dimethylaniline)propane] molecule as a fluorescence probe. M. Khajehpour, J. F. Kauffman

4:20—559. Dynamics of electronically excited organic radicals and radical ions in solution. J. Peon, B. Kohler

4:40—560. 2-D IR spectroscopy: Dissecting the amide-l band of peptides. G. S. Gna-nakaran, R. M. Hochstrasser

5:00—561. Mode-selective vibrational energy redistribution in five coordinate iron porphyrins. M. C. Simpson, J. J. Loparo

5:20—562. Looking for dynamics and organization in solutions of carbonyl containing solvents. S. N. Goldie, G. J. Blanchard


• Quantum Computing for the Next Millennium Perspectives on Quantum Computation with NMR

I. Chuang, Presiding 2:00—563. NMR approaches to quantum in

formation processing. D. G. Cory 2:40—564. What we gain from solution NMR

quantum computation. D. W. Leung, I. Chuang, Y. Yamamoto

3:20—565. Quantum computing from an NMR perspective. R. Freeman

4:00—Intermission. 4:20—566. Dynamical generation of noise

less quantum bits. S. Lloyd 5:00—567. Tackling systematic errors in

NMR quantum computations. J. A. Jones


• Physical Chemistry of Nucleic Acids: In Memory of Matt Petersheim Thermodynamics, Hybridization, and Assemblies

S. P. Kelty, D. Graves, Presiding 1:55—Introductory Remarks. 2:00—568. Conformations and stabilities of

nucleic acids using FRET. R. M. Clegg, F. Stuehmeier, C. Gohlke, G. Vamosi

2:30—569. DNA binding ligands and oligodu-plex hybridization. A. S. Benight, P. V. Riccelli, P. M. Vallone, T. S. Hall, Κ. Ε. Mandell, M. J. Lane, S. Bortolin, M. H. Black, F. M. Merante, R. Janeczko

3:00—570. Supramolecular assemblies of porphyrins on DNA templates. R. F. Pas-ternack

3:3fJ—Intermission. 3:50—571. Arrays produced by DNA nano-

technology. N. C. Seeman 4:20—572. Adsorption thermodynamics and

kinetics of functionalized DNA oligomers on anisotropic noble-metal nanostruc-tures. B. D. Reiss, J. Mbindyo, T. E. Mal-louk, M. Natan, C. D. Keating

4:50—573. Measuring the strength of interactions between base pairs. B. D. Sattin, M. C. Goh



Industrial Applications in Theoretical Chemistry Polymer and Mesoscale Properties

M. L. Greenfield, Presiding 2:00—574. Fundamentals and applications

of MesoDyn. H. Fraaije 2:30—575. Mesoscopic modeling of concen

trated PPO-PEO triblock copolymer solutions (Pluronic BASF). O. Evers, H. Fraaije

3:00—576. Studying the distribution of actives in PEO-PPO-PEO block copolymer gels. F. H. Case

3:30—577. Simulation of the miscibility of polymer melts where the species differ only in stereochemical composition. W. L. Mattice, T. C. Clancy

4:00—Intermission. 4:20—578. Lattice simulations of nonionic

surfactant/cosurfactant systems. S. Balije-palli, J. Bicerano, C. Tucker, M. Hilliard

4:50—579. Modeling of polymeric networks by Monte Carlo methods. E. Hàdicke, H. Stutz

5:05—580. Application of ab initio based force fields to condensed phase material. D. Rigby, H. Sun

Section F

Grand Hyatt Constitution Ballroom Β

Femtochemistry: 1999 Nobel Prize Symposium M. A. El-Sayed, Presiding 1:00—581. Femtochemistry: Some new di

rections. A. H. Zewail 1:40—582. Probing wavepacket dynamics

with femtosecond energy- and angle-resolved photoelectron spectroscopy. K. Takatsuka, Y. Arasaki, K. Wang, V. McKoy

2:20—583. Influence of hydration on the dynamics of proton-transfer reactions. A. W. Castleman Jr., D. E. Folmer, E. S. Wisniewski, D. A. Card, S. M. Hurley

3:00—Intermission. 3:20—584. Extracting molecular interactions

from observations of controlled quantum dynamics phenomena. H. Rabitz

4:00—585. Initiating protein folding at the transition state. M. Gruebele


4:40—586. Spin-orbit relaxation and recombination dynamics in l2" and ICI" cluster ions: A new type of photofragment caging reaction. W. C. Lineberger, T. Sanford

5:00—587. Ultrafast observation and control of molecular dynamics: Beyond the pump-probe method. M. Dantus, I. Pastirk, V. V. Lozovoy, B. I. Grimberg

POLY

DIVISION OF POLYMER CHEMISTRY W. Ford, Program Chair

SUNDAY MORNING

Section A JW Marriott Grand Salon I

Scanning Probe Microscopy of Polymers: The Next Generation Overviews and Introduction

V. V. Tsukruk, N. D. Spencer, Organizers D. Reneker, N. Spencer, Presiding 8:30—Introductory Remarks. 8:40—1. Overview of state-of-the-art SPM of

crystalline polymers. M. J. Miles, J. K. Hobbs, T. J. McMaster, A. A. Baker, P. J. James, S. T. Blakely, M-N. Aissaoui

9:25—2. Visualization of nanoscale architecture of ordered polymers with atomic force microscopy. S. Magonov

10:10—Intermission. 10:30—3. Nanoindentation of polymers:

Overview. M. R. VanLandingham, J. S. Villarrubia, G. F. Meyers

11:15—4. Molecular dynamics modeling of scanning probe microscopy experiments. J. A. Harrison

Section Β JW Marriott Capitol Salon Ε

M Macromolecular Synthesis by Selective Chemical Modification Hydrogénation and Other Selective Modifications

M. A. Hillmyer, S. Hahn, Organizers S. F. Hahn, Presiding

8:00—Introductory Remarks. 8:30—5. Control of structure and properties

in polyphosphazenes by selective chemical reactions. H. R. Allcock

9:00—6. Influence of the tacticity on the ester-ification of syndio and atactic poly(meth-acrylic acid)s. P. Gramain, C. Chovino


Interfacial Adhesion and Molecular Composites (see Division of Colloid & Surface Chemistry, Mon, page 77)

Polymer Interfaces: Adsorption, Self-Assembly, and Blend Interfaces (see Division of Colloid & Surface Chemistry, Tue, Wed, Thu, page 79)

Surfactants, Polymers, and Colloids in the Aquatic Environment (see Division of Colloid & Surface Chemistry, Sun, Mon, page 76)

Functional Nanostructures (see Division of Industrial & Engineering Chemistry, Mon, Tue, page 93)

SOCIAL EVENTS: Social Hour, Sun, Tue Reception, Tue

BUSINESS MEETING: Sun

JULY 24, 2000 C&EN 125

POLY/TECHNICAL PROGRAM

9:30—7. Synthesis of well-defined maleic anhydride grafted PE, PP, EP, and s-PS polymers via selective modifications of metallocene-prepared polyolefin copolymers. B. Lu, G. Xu, J. Y. Dong, T. C. Chung

10:00—Intermission. 10:15—8. Catalytic hydrogénation of nitrile

butadiene rubber. G. Rempel 10:45—9. Catalytic modification of polymers:

Hydrogénation routes to amine functional materials. B. M. Novak, Y. Aoyama

11:15—10. Diimide hydrogénation of emulsified unsaturated polymers: Past, present, and future. D. K. Parker

11:45—11. Soluble polymers with controlled levels of secondary and tertiary amine functional groups. M. P. McGrath, E. D. Sail, S. J. Tremont

Section C JW Marriott Grand Salon II

M 4th International Biorelated Polymers Symposium

Tutorial Session: Polymers in Biorelated Fields

A. V. Kabanov, R. M. Ottenbrite, Organizers A. V. Kabanov, T. Ouchi, Presiding

8:00—Introductory Remarks. 8:05—12. Controllable design of block copo

lymer vehicles for drug delivery. P. Lim Soo, O. Terreau, R. Savic, C. Allen, D. Maysinger, A. Eisenberg

8:45—13. Bioinspired polymeric conjugates for biotechnologies. P. Stayton, A. Hoffman, N. Murthy, C. Cheung, C. Lackey, Z. Ding, T. Shimoboji, O. Press

9:25—Intermission. 9:4fJ—14. Synthetic polymers as vectors for

gene delivery. E. H. Schacht, V. Ton-cheva, L. DeKie, P. Dubruel

10:10—15. Thermodynamic investigation of the interaction of polycations with DNA. T. K. Bronich, B. I. Kankia, A. V. Kabanov, L A. Marky

10:40—16. What happens to negatively charged vesicles upon interacting with polycation species? A. Yaroslavov, V. Kabanov

11:10—17. Grafted polymer layers and their interactions with proteins. I. Szleifer

Section D JW Marriott Capitol Salon F

M Electroactive Polymers for Corrosion Control/Prevention Tutorial and Overview of Corrosion Protection

P. Zarras, J. D. Stenger-Smith, Y. Wei, B. Wessling, Organizers P. Zarras, J. D. Stenger-Smith, B. C. Benicewicz, Presiding

8:15—Introductory Remarks. 8:20—18. Tutorial on the use of electroactive

polymers as corrosion-inhibiting materials. P. Zarras, J. D. Stenger-Smith

9:00—19. Corrosion-protective coatings from electroactive polymers. K. G. Thompson, B. C. Benicewicz

9:30—20. Synthesis and characterization of polymers with oligoaniline side chains. B. C. Benicewicz, R. Chen

10:00—Intermission. 10:10—21. Experimental evidence for passi

vation by the organic metal. B. Wessling, J. Posdorfer

10:40—22. Fully sulfonated polyaniline (NS-PAN) and aluminum interface: An ESCA study. A. J. Epstein, J. A. O. Smallfield, H. Guan, M. Fahlman

11:10—23. Corrosion prevention of cold rolled steel using water-dispersible ligno-sulfonic acid-doped polyaniline. B. C. Berry, A. U. Shaikh, T. Viswanathan

11:40—24. Corrosion inhibition by aniline tri-mers via charge transfer: A DFT approach. L. T. Sein Jr., Y. Wei, S. A. Jansen

Organic Thin Films for Photonic Applications cosponsored with Division of Polymeric Materials: Science & Engineering (see page 132)

SUNDAY AFTERNOON


Scanning Probe Microscopy of Polymers: The Next Generation Microthermal and Chemical Probing A. Takahara, A. Karim, Presiding

1:30—25. Lateral distribution of functional groups at polymer surfaces by chemical force microscopy: Force-titration and force-volume measurements. G. J. Vanc-so, H. Schônherr, M. van Os, Z. Hruska, J. Kurdi, R. Fôrch, F. Arefi-Khonsari, W. Knoll

2:15—26. Microthermal characterization of polymers. M. Reading, D. M. Price, D. Grandy, H. M. Pollock, A. Hammiche

3:00—Intermission. 3:20—27. Characterization of the surface

structural, mechanical, and thermal properties of benzocyclobutene dielectric polymers using scanned probe microscopy. G. F. Meyers, M. T. Dineen, E. O. Shaffer II, T. M. Stokich Jr., J-H. Im

3:50—28. Microthermal probing of polymers: Dynamic localized thermomechanical analysis, localized IR spectroscopy. H. M. Pollock, A. Hammiche, E. Dupas, D. M. Price, M. Reading, L. Bozec

4:20—29. Mapping chemically heterogeneous polymer system using chemical modification and atomic force microscopy. D. Raghavan, X. Gu, M. VanLandingham, T. Nguyen


M Macromolecular Synthesis by Selective Chemical Modification Block Copolymers

M. A. Hillmyer, Presiding 1:30—30. Thermodynamics, kinetics, and

mechanisms of the formation of multiple block copolymer morphologies. A. Eisenberg

2:00—31. Organically modified ceramic precursors for nanostructured block copoly-mer/inorganic hybrid materials. U. B. Wiesner

2:30—32. Selectively functionalized block copolymers for modification of thermosets. F. S. Bates, R. B. Grubbs, J. M. Dean, M. E. Broz, W. S. Saad

3:00—Intermission. 3:15—33. Morphological behavior and self-

assembly of semicrystall ine linear-dendritic block copolymers. M. A. Johnson, P. T. Hammond

3:45—34. Synthesis and characterization of diblock copolymers containing surface-modifying moieties for nonbiofouling materials. S. H. Kang, C. K. Ober, E. J. Kramer

4:15—35. Synthesis and characterization of controlled architecture ionic/neutral block copolymer. J. Yang, J. Mays

4:45—36. Hydrogénation of styrenic block copolymers. K. A. Johnson


M 4th International Biorelated Polymers Symposium Biocompatible and Biodegradable Polymer Materials

V. Labhasetwar, I. Szleifer, Presiding

1:30—Introductory Remarks. 1:35—37. Improved synthesis of ethyl

α-hydroxymethylacrylate, a unique isomeric analog of HEMA. J. M. Antonucci, J. W. Stansbury, B. O. Fowler

2:05—38. Degradation behavior of porous poly(cc-hydroxy acids)/hydroxyapatite composite scaffolds. R. Zhang, P. X. Ma

2:25—39. Polymer-ceramic composites for bone graft applications. S. Bose, A. Ban-dyopadhyay, H. L. Hosick, T. Myers

2:45—40. Potentially more blood-compatible polymers using nitric oxide release fumed silica fillers. H. Zhang, M. M. Batchelor, M. E. Meyerhoff


3:20—41. Evaluation of clustering effect of partial structure in heparin. Y. Suda, S. Koshida, A. Arano, T. Morichika, Y. Fukui, S. Kusumoto, M. Sobel

3:50—42. Structural studies of biorelated polymers derived from natural PHA and their synthetic analogs with the aid of elec-trospray multistage mass spectrometry. M. Kowalczuk, G. Adamus, W. Sikorska, J. Rydz

4:10—43. New matrices for controlled drug delivery. A-C. Albertsson, U. Edlund

4:30—44. Water-soluble ampholytic polymers as oral controlled-release carriers. M. Bari, C-J. Kim

4:50—45. Glucose-specific polymeric molecular imprints. W. Wizeman, P. Kofinas

Section D

JW Marriott Capitol Salon F

M Electroactive Polymers for Corrosion Control/Prevention Synthesis and Mechanistic Studies

B. C. Benicewicz, K. G. Thompson, Y. Wei, Presiding 1:30—46. Corrosion protection with conduct

ing polymers: Protection mechanism, application guidelines, and its validity for commercial products. F. A. Lux

2:00—47. Polyaniline oxidation states and anticorrosion. L. Chigirinskaya, K. Levon

2:30—48. Stabilization and anticorrosion property of phenyl-capped and aniline tet-ramer as additives to common coating. W. Zhang, C. Wang, J. Gao, C. Chen, H. Qui, Y. Yu, L. Chen, Z. Wu

3:00—49. De-doping/re-doping study of organic soluble polyaniline: Impact on corrosion protection. A. Dominis, G. Spinks, L. A. P. Kane-Maguire, G. G. Wallace

3:30—Intermission. 3:40—50. Assessment of electronic factors

necessary for corrosion inhibition: An analysis of substituted aniline oligomers. S. A. Jansen, L. T. Sein, Y. Wei, T. Duong

4:10—51. Corrosion protection on mild steel using polyaniline emeraldine base by solvent-free technique. X. Wang, Y. Wang, J. Li, J. Lu, X. Jing, F. Wang

4:40—52. Polyaniline-metal interfaces: Implications for corrosion protection of steel and aluminum alloys. M. Fahlman, X. Crispin, H. Guan, S. Li, J. A. O. Smallfield, Y. Wei, A. J. Epstein

M Organic Thin Films for Photonic Applications cosponsored with Division of Polymeric Materials: Science & Engineering (see page 133)

SUNDAY EVENING

Section A Grand Hyatt Independence Ballroom A

Poster Session 5:30-7:30 Characterization

R. B. Moore, Organizer

53. Core-shell morphology prediction via interfacial energy estimation and its application to polyacrylate-polysiloxane latex particles. C. Kan, X. Z. Kong, D. Liu

54. Curing behavior and thermal properties of cyanate ester-cured rigid rod epoxy resin. W-F. Su, C-M. Chuang

55. Interaction study of fullerene and single-wall carbon nanotubes with a conducting polyaniline. C-H. Song, B. C. Berry, T. Viswanathan, W. Zhao

56. Investigation of IR laser-induced pho-topolymerization of multifunctional acrylate by real-time FTIR spectroscopy. S. Zhang Sr., B. Li, L. Tang, R. Yang, Q. Zhou

57. Thermal stability of thick tubular HDPE pipe with temperatures and heat-transfer fluids. S. O. Han, D. W. Lee, S. K. Woo


58. Wettability and protein adsorption on ep-oxidized HTPB-based polyurethane membrane. J. M. Yang, H. T. Lin

59. Novel ferromagnetic conducting lignosul-fonic acid-doped polyaniline nanocompos-ite. B. C. Berry, D. Lindquist, J. P. Smith, T. Viswanathan

60. Interaction and plasticization of dioctyl phthalate in low-density polyethylene. Y-T. Shieh, C-M. Liu

61. Compressible RPA and its application to a phase segregating polymer blend. J. Cho

62. All-optical poling of a side-chain poly-(urethane-imide) for second-order nonlinear optics. X. Yu, Y. Sui, J. Yin, Q. Li, X. Zhong, Y. Chen, Z. Zhu, Z. Wang

63. Side-chain poly(urethane-imide)s for second-order nonlinear optics. Y. Sui, J. Yin, Z. Hou, N. Zhu, J. Lu, Ζ. Zhu, Ζ. Wang

64. Central functionalized asymmetric tri-block copolymers for surface modification with switchable surface properties. J. Wang, T. E. Long, T. C. Ward

65. Clustering behavior in three different acrylate ionomers. J-S. Kim, J. Kim, Y. H. Nah

66. Positron annihilation lifetime (PAL) spectroscopy as a tool to study polyisoprene vulcanizate network structures. P. E. Mal-lon, Y. C. Jean, C. M. Huang, H. Chen, R. Zhang, M. H. S. Gradwell

67. Compatibilization of blends of poly-(butylene-2,6-naphthalenedicarboxylate) and polycarbonate. B. J. Chisholm, R. Hendrix, P. M. Fong, M. Larsen

68. Controlled adsorption of end-func-tionalized polystyrene to tris(trimethylsil-oxy)silyl binary mixed monolayers. C. M. Stafford, A. Y. Fadeev, T. P. Russell, T. J. McCarthy

69. Structural changes during swelling of poly[2-(A/,/V-dimethylamino)ethyl methacryl-ate-l-polyisobutylene (PDMAEMA-I-PIB) amphiphilic co-network. A. Domjân, B. Ivân, K. Suvegh, A. Vertes

70. Effect of hard segments on morphology of polyurethanes. W. Kang, J. O. Stoffer

71. Effect of thermal treatment on the morphology and physical properties of Nation/ dendrimer blends. E. P. Taylor, R. B. Moore

72. Hydrogel prepared from cationic copolymer. Y. Zhong, J. Jachowicz, P. Wolf, R. McMullen

73. Influence of orientation of functional bridge on the properties of l iquid-crystalline polyacetylenes. F. Salhi, J. W. Y. Lam, J. A. K. Cha, Β. Ζ. Tang

74. Development of fluorescence-based fiber-optic sensors for determining the degree of cure in thermosetting resins. S. K. Pollack, C. A. James

75. Ion-conductive polymer multilayers for electrochromic applications. D. M. De-Longchamp, P. T. Hammond

76. Matrix isolation effect of water-soluble poly(p-phenylenevinylene) in a lyotropic liquid-crystal nanocomposite. K. Yoneza-wa, D. L. Gin

77. Mean-square radius of gyration of poly(ethylene-co-propylene)s. Z. Zhou Sr., J. Li, X. Cai, D. Yan

78. Intercalation and mechanical properties of the SBS block copolymer and clay hybrid composites. J. S. Park, S. Lee, K. Lee, E. Kim, H. Lee

79. Morphologies of PC12 cells cultured on some polymeric membranes prepared by Langmuir-Blodgett and casting methods. M. Hara, T. Asakura, C-S. Cho, T. Akaike, A. Higuchi

80. Peptide-amphiphile induction of α-helical structures. P. Forns, G. B. Fields

81. Fluorescence studies of solvent-polymer interactions at poly(acrylic acid) grafts and their derivatives on polyethylene films. G. Tao, M. L. Liu, D. E. Bergbreiter

82. Melt crystallization of bisphenol A polycarbonate in polycarbonate/ionomer blends. L Xu, R. A. Weiss

83. Miscible blends of a liquid-crystalline polymer and a sulfonated polystyrene ion-omer. H-S. Lee, R. A. Weiss

84. Molecular ordering within ordered super-molecular structure. L. Zhu, S. Z. D. Cheng, Q. Ge, R. P. Quirk, B. Hsiao, F. Yeh

85. Monte Carlo simulation of single chain of high-performance polymer. S. Zhu, D. Yan

126 JULY 24, 2000 C&EN

86. Random perfluorocyclobutyl copolymers with controlled optical properties. D. W. Smith Jr., A. B. Hoeglund, H. V. Shah, J. Ballato, C. Langhoff, S. F. Macha, P. A. Limbach

87. Solid-state 13C NMR study of poly(meth-yl acrylate) ionomer. J-S. Kim, A. R. Lim

88. Structural investigation on physical aging in bisphenol A polycarbonate. J. Lu, Y. Wang, D. Shen

89. Synthesis and characterization of high Tg organo-soluble side-chain copolyimides containing a triazine-based azo chro-mophore. Y. Sui, J. Yin, X. Guo, Y. Liu, J. Gao, Z. Zhu, D. Huang, Z. Wang

90. Studies on in situ composites and properties of poly(ether ether ketone) and novel poly(aryl ether ketone) liquid crystalline containing fluorine. G. Wang, C. Chen, Z. Jiang, C. Yu, L Zhang, W. Zhang, Z. Wu

91. Experimental study of release and uptake in well-defined imprinted polymer films. K. Das, D. J. Duffy, S. L Hsu, J. Penelle, V. M. Rotello

92. Study on molecular movement and compatibility of polypropylene/polyester semi-interpenetrating polymer networks. F. Li, J. Wang, Y. Li, J. Jin, X. Tang

93. Synthesis and study of a new polyorgan-ophosphazene with pendant carbazolyl groups. J. Wang, F. Li, Y. Li, X. Tang

94. Study on surface photovoltage properties of α-terthiophene derivatives. C. Wang, C. Cao, Y. A. Cao, Y. H. Shi, Z. M. Guo, T. J. Li

95. Nature of aluminum deposited on a urethane-substituted polythiophene. J. E. Whitten, H. Ahn, H. Seung

96. Rheological characterization of polyethylene oxide)/clay nanocomposites. H. J. Choi, S. G. Kim, Y. H. Hyun, M. S. Jhon

97. Self-assembling morphologies of am-phiphilic polyacetylenes containing amino acid moieties. F. Salhi, J. W. Y. Lam, Κ. Κ. L. Cheuk, J. A. K. Cha, Β. Ζ. Tang

98. Silver nanostructures on PEN and PET films. B. Hu, R. M. Ottenbrite, J. A. Sid-diqui

99. Graft polyelectrolyte layers on PEN and PET films. B. Hu, I. Germanenko, R. M. Ottenbrite, J. A. Siddiqui

100. Stimuli-responsive release from porous silica/stimuli-responsive gel hybrid particle. K. Suzuki, T. Yumura, Y. Tanaka, M. Akashi

101. Structure and morphology of poly(mefa-phenylene isophthalamide) nanofibers produced by electrospinning. W. Liu, Z. Wu, D. H. Reneker

102. Studies of chain conformation in triblock oligomers and multiblock copolymers of ethylene and ethylene oxide. Y. Ding, J. F. Rabolt, K. L. Olson, Y. Chen, G. L. Baker

Synthesis

103. Accurate structure control of graft copolymers via well-defined polyfunctional mac-roinitiators for nitroxide-mediated "living" free-radical polymerization. C. Cheng, N-L. Yang

104. Biocompatible macroligands: New sub-units for the assembly of metal-containing polymers. P. S. Corbin, J. E. McAlvin, M. P. Webb, S. Shenoy, C. L. Fraser

105. Development of polymerization processes based on palladium-mediated reactions. Z. Wu, D. Wang, P. Wei, J. Xu, X. Bi

• Catalysis • Chemistry & Computers • Federal & Private Sector


• Environmental H Materials Ά Pharmaceuticals & Life

Sciences 4» Science & Intellectual

Policies

106. Norbomene polymerization with half-titanocene/MAO catalyst: Dependence of structure of the polymer on polymerization conditions. Q. Wu, J. He, Y. Lu, Z. Lu

107. Soluble polyimides containing naphthalene structure. C. S. Wang, T. S. Leu

108. Surface modification of poly(tetrafluoro-ethylene-co-hexafluoropropylene) (FEP) by adsorption of poly(L-lysine) and poly-(acrylic acid). W. Chen, M. E. Evangelista, R. M. Y. Yeung

109. Synthesis, characterization, and micro-structure of poly (ethylene terephthalate) copolymers containing nitroterephthalic units. D. P. R. Kint, A. Martinez de llar-duya, S. Munoz-Guerra

110. Anionic living polymerization of n-hexyl isocyanate. S-Y. Kim, J-H. Ahn, Y-D. Shin, J-S. Lee

111. Triarylphosphine oxide-based benza-zole polymers for potential space applications. T. D. Dang, N. C. Thiesing, W. A. Feld, N. Venkatasubramanian, C. A. Cer-bus, F. E. Arnold

112. Use of carbohydrate reagents for the polymerization and oligomerization of dicy-anoalkenes and -arènes. D. J. Sandman, M. A. Rixman, Z. Tsai, D. Wu, l-B. Kim

113. Gel formation between thermoplastic polyurethane and poly(ethylene-co-vinyl alcohol) during blend processing. D. D. Jiang, R. F. Storey

114. New initiating system for controlled radical polymerization of butyl methacrylate. W. Wang, D. Yuping, L. Qianshu

115. Anionic synthesis and characterization of poly(styrene-6/oc/c-1 -butène oxide) block copolymers and their application in anionic dispersion polymerization. Q. Ge, R. P. Quirk

116. Anionic polymerization of 3-nitro-9-ethylcarbazolyl methacrylate. Y-S. Cho, J-S. Lee

117. Bergman cyclopolymerization of bis-phenol-A-derived tetraynes. D. W. Smith Jr., K. P. U. Perera, K. A. Abboud

118. Chemical modification of buried interfaces using supercritical carbon dioxide. X. Jia, T. J. McCarthy

119. Chiral induction in radical polymerization of maleimide derivatives using optically active cobalt(ll) complexes. T. Nakano, D. Tamada, J-l. Miyazaki, K. Kakiuchi, Y. Okamoto

120. Convenient method for the preparation of poly(ethylene oxide) and poly(ethylene oxide) block copolymers. D. H. Adamson

121. Cyclolinear phosphazenes via acyclic diene metathesis polymerization. E. C. Kellam III, M. A. Hofmann, H. R. Allcock

122. End-group functionalization of regioreg-ular head-to-tail poly(3-alkylthiophene)s. J. Liu, R. D. McCullough

123. Free-radical grafting of hindered phenol antioxidants onto low molecular weight PE. T. H. Kim, D. R. Oh

124. Influence of bisphenol structure on the direct synthesis of sulfonated poly(arylene ether)s. W. Harrison, F. Wang, J. B. Mecham, K. O'Connor, J. E. McGrath

125. Linear and star liquid-crystalline polymers prepared using atom transfer radical polymerization. S. M. Ruder, A. Datta, S. D. Allen

126. Poly(styrene-divinylbenzene)-bound platinum complex in hydrosilylation of unsaturated hydrocarbons. C. Kan, X. Z. Kong, D. Liu

127. Polycyclotrimerization of internal diynes: Synthesis of hyperbranched poly(alkene-phenylenes). K. Xu, H. Peng, Y. Huang, Z. Xu, Β. Ζ. Tang

128. Polymerization of polypropylene glycol)-methacrylate by ATRP. B. L. Sadicoff, A. E. Acar, L. J. Mathias

129. Inclusion complexes of a-cyclodextrin and (AB)n block copolymers. K. L. Olson, Y. Chen, G. L. Baker

130. New approaches to polyethylene-functionalized ligands for atom transfer radical polymerization. M. E. Pallack, S. Liou, W. J. Brittain

131. Segmented amine-epoxy-based thermosetting elastomers. D. W. Smith Jr., T. W. Baughman, E. J. Nelson, S. H. Foulger

132. New methacrylate derivatives based on py-roglutamic acid. T. J. Smith, L. J. Mathias

133. Phosphatidylcholine-functional surfaces via sequential grafting reactions. S. K. Pollack, Y. S. Bullen

134. Photoconductive polyimides based on bisphenyl-porphyrin: Synthesis and characterization. B. Zhu, Z. Xu, Y. Xu

135. Synthesis and characterization of a novel AB2 monomer and corresponding hyperbranched poly(arylene ether phosphine oxide)s. Q. Lin, T. E. Long

136. Photoconductive polyimides based on bisphenyl-porphyrin: Structure and photoconductive properties of polyimide and their precursor films. B. Zhu, Z. Xu, Y. Xu

137. Synthesis and characterization of polyimides prepared from sulfone, carbonyl, and phosphine oxide-containing diamines. D. J. Klein, R. G. Bryant

138. Photolysis of iodonium salts in the presence of 1 -naphthol and 1 -methoxynaphtha-lene. H. Gu, W. Zhang, D. C. Neckers

139. Synthesis and characterization of novel fluorine-containing polyarylate. B. Liu, Y. Dong, W. Hu, C. Chen, G. Wang, Z. Wu

140. Poly(p-phenylene)s with polyethylene oxide) as pendant groups. F. H. Asfour, C. Ruud, G. L. Baker

141. Synthesis and luminescent properties of a novel rigid-rod alternating copolymer containing oligo(ethylene oxide) side chains. H. Cheng, H. Wei, G. Jian, Y. Chang-zheng

142. Synthesis and optical properties of naphthalene-containing conjugated polymers. Z. Peng, Y. Pan

143. Synthesis and polymerization of phosphorus-containing acrylates. D. Avci, L. J. Mathias

144. Polysilsesquioxanes through base-catalyzed redistribution of oligomethylhy-dridosiloxanes. K. Rahimian, D. P. Lang, D. A. Loy

145. Synthesis and polymerization of styryl-oxycyclophosphazene derivatives. D. Hernândez-Rubio, C. W. Allen

146. Synthesis and characterization of polyphosphazenes with sulfur-bearing substituents. H. Ma, Y. Li, S. Liu, J. Wang, X. Tang

147. Radical reactions of 3,4-dimethoxy-1-butene in the presence of a redox initiator system. Y. Yoo, L. K. Johnson, A. J. Pas-quale, T. E. Long

148. Synthesis of block copolymer containing poly(styrene-a/f-A/-phenylmaleimide) by stable free-radical polymerization. C-G. Cho, T. E. Chang, K-D. Ahn

149. Synthesis of polyols of various structures with narrow molecular weight distribution for different applications. O. N. Pi-raner, M. Balasubramanian

150. Effects of increasing P205 content in polyphosphoric acid by POCI3. Y-H. So, M. T. Bishop, R. M. VanEffen, B. L. Kal-iszewski

151. Ring-opening polymerization of 1,1-dicyanocyclopropane. L. Kagumba, J. Penelle

152. Toward the synthesis of C-glycoside dendrimers. M. J. Panigot, S-U. Kim, M. W. Arnold, A. Bailey, D. Bailey, J. L. Faulkner, J. Middleton

153. Stereospecific polymerization of methyl-methacrylate with bisindenyllanthanide complexes. S. Y. Knjazhanski, H. R. Lopez-Gonzâlez, L. Larios-Lopez, G. Cadenas

154. Study on synthesis and LC behaviors of novel ternary polyurethanes. Y. Lian, D. Liu, Q. Zhou

155. Sulfonated aromatic diamines as precursors for polyimides for proton-exchange membranes. H. K. Shobha, M. Sankarapandian, T. E. Glass, J. E. McGrath

156. Surface-initiated atom transfer radical polymerization on gold at ambient temperature. J-B. Kim, M. L. Bruening, G. L. Baker

157. Surface-initiated radical polymerization on gold using stabilized initiator monolayers. W. Huang, S. Ganesan, M. L. Bruening, G. L. Baker

158. Syndiospecific radical polymerization of methyl methacrylate in the presence of syndiotactic poly(methyl methacrylate). M. Nodono, T. Makino, K. Nishida

159. Synthesis and characterization of copoly-(acrylate)s with silane functional groups in the side chain. S. Hait, D. E. Nikles

160. Synthesis and characterization of novel biodegradable poly(ester-carbonates). R. F. Storey, B. D. Mullen


161. Synthesis and characterization of novel chlorosilyl functional polyisobutylene. I-J. Kim, R. Faust

162. Synthesis and characterization of polymers containing diketopiperazine. D. A. Parrish, L. J. Mathias

163. Synthesis and microstructural analysis of poly(alkyl 1-cyanocyclopropanecarbox-ylates). L. Kagumba, J. Penelle

164. Synthesis of polymer brushes on silicate substrates by reversible addition fragmentation chain-transfer technique. M. Baum, W. J. Brittain

165. Synthesis of soluble and controllable cross-linking poly(aryl ether ether ke-tone)s. Z. Gao, T. Ben, X. Liu, H. Cao, H. Qiu, C. Chen, Z. Wei, Z. Wu, W. Zhang

166. Synthesis of stable and luminescent hyperbranched poly(alkenephenylenes) via copolycyclotrimerization of diynes and monoynes. K. Xu, H. Peng, P. P. S. Lee, Y. Dong, Β. Ζ. Tang

167. Thiophene polymerization in an ultrathin hyperbranched graft on a polyethylene film substrate. M. L. Liu, G. Tao, D. E. Berg-breiter

Electroactive Polymers for Corrosion Control/Prevention P. Zarras, Presiding 168. Scanning vibrating electrode study of

chromated-epoxy coatings on steel and aluminum. J. He, V. J. Gelling, D. E. Tall-man, G. P. Bierwagen

169. Amine-quinone polyurethanes. M. Han, R. Sharma, Y. Hu, G. W. Warren, D. E. Nikles

170. New amine-quinone polyimides for protecting iron against corrosion. M. Han, H. Bie, D. E. Nikles, G. W. Warren

171. Adhesion properties of analine oligomers and their epoxy resin-cured derivatives over cold rolled steel. Y. Wei, H. Ja-masbi, S. Li, S. A. Jansen, L. T. Sein, S. Cheng

172. Conducting polypyrrole on an epoxy substrate: Effect of surface pretreatment. R. Van den Schoor, M. Krupers, R. Van de Leur, H. De Wit

173. Impedance studies of polyaniline epoxy coatings. A. Talo, T. Sammi, M. Tiitu, O. Ikkala, O. Forsén

174. Regioregular polymerization of 3-semi-fluoroalkylthiophenes. X. M. Hong, J. C. Tyson, X. Wu, D. M. Collard

175. Rubber-modified water-soluble polyaniline latex. C. Kuo, L. Y. Chiang, J. Kumar, L. Samuelson, S. K. Tripathy

176. Study of poly(3-octyl pyrrole) for corrosion control of aluminum 2024-T3. V. J. Gelling, D. E. Tallman, G. P. Bierwagen, G. G. Wallace

177. Synthesis and characterization of poly-(aniline-co-anthranilic acid)s. S. Baek, M. Ree

JW Marriott Salon II


MONDAY MORNING


Scanning Probe Microscopy of Polymers: The Next Generation Polymer Morphology and Microstructure

M. J. Miles, G. J. Vancso, Presiding 8:30—178. Phase-separated microstructures

in "all-acrylic" thermoplastic elastomers. P. Leclère, A. Rasmont, J-P. Aimé, R. Jérôme, J-L. Brédas, R. Lazzaroni

9:00—179. Atomic force microscopy studies of phase ordering in polymer blends and clay-filled systems. V. Ferreiro, J. F. Douglas, A. Karim, G. Coulon

9:30—180. Evolution of lamellar structure during crystal l izat ion of a binary semicrystalline-amorphous blend: Time-resolved hot-stage SPM study. D. A. Ivanov, C. Basire

9:50—181. In situ AFM of the crystallization of polyethylene. J. K. Hobbs, M. J. Miles


JULY 24, 2000 C&EN 1 2 7


10:30—182. Scanning probe imaging and nanoindentation studies of model pressure-sensitive adhesives and their aging. M. D. Foster, A. Paiva

10:50—183. Scanning force microscopy of polyester: Surface structure and adhesive properties. G. J. Leggett, B. D. Beake, N. J. Brewer

11:10—184. Elastomers from α,ω-dihydroxy polydimethylsiloxane and the ethoxysilox-ane mixture "ES40": Bulk characterization and surface features. J. Uilk, S. Bullock, E. Johnston, K. J. Wynne, L Merwin, S. Myers

11:30—185. Patterns in biopolymers and other biological systems as observed by atomic force microscopy. I. V. Yaminsky


H Macromolecular Synthesis by Selective Chemical Modification M. A. Hillmyer, Presiding

8:15—186. Hyperbranched and dendrimer-like architectures by chemical modification of polymer termini. Y. Gnanou, D. Taton, S. Lecommandoux, M. Saule

8:45—187. Hyperbranched molecular objects elaborated via successive living ionic polymerization/chemical modification steps. A. Deffieux, Z. Muchtar, M. Schap-pacher

9:15—188. Preparation of nanoscopically resolved amphiphilic networks from the hybridization of hyperbranched fluoropoly-mers and linear poly(ethylene glycol)s. K. L. Wooley, D. Gan

9:45—Intermission. 10:00—189. Postpolymerization ion-ex

change and chemical modification of cross-linked lyotropic liquid-crystal networks. J. H. Ding, W-J. Zhou, D. H. Gray, D. L. Gin

10:30—190. Functionalized polymers for catalysis and polymer synthesis. H. Alper

11:00—191. ADMET polymerization in the preparation of hydrocarbon polymers containing amino acid-based functionalities. T. E. Hopkins, J. H. Pawlow, F. J. Gomez, S. M. Solivan, J. A. Davis, K. S. Deters, D. L. Koren, Κ. Β. Wegener

11:30—192. Synthesis of new hydrophilic γ-substituted poly-e-caprolactones. P. Lecomte, V. D'aloia, M. Mazza, O. Hal-leux, S. Gautier, C. Detrembleur, R. Jerome


M 4th International Biorelated Polymers Symposium Nanoparticles and Block Copolymers for Drug Delivery and Gene Therapy

P. Alexandridis, Ε. Η. Schacht, V. Alakhov, Presiding 8:30—Introductory Remarks. 8:35—193. SP1017: A nonviral carrier sys

tem for gene expression in skeletal muscle and dermal tissues. V. Alakhov, P. Le-mieux

9:05—194. Transfection of Caco-2 cells by PLGA-nanoparticles. W-Z. Zhou, V. Lab-hasetwar

9:35—195. Architecture of polymer micelles from block copolymers of lactide and dep-sipeptide as drug carriers. T. Ouchi, H. Miyazaki, F. Tasaka, A. Hamada, Y. Ohya

10:05—196. Selective energy depletion and sensitization of multiple drug-resistant cancer cells by pluronic block copolymers. E. V. Batrakova, S. Li, V. Y. Alakhov, A. V. Kabanov

10:25—Intermission. 10:40—197. Novel drug delivery systems:

Nanogel networks. S. Vinogradov, E. V. Batrakova, A. V. Kabanov

11:00—198. Thermally responsive amphiphilic block polypeptides for drug encapsulation. Y. Zhou, V. P. Conticello

11:20—199. Reactive stabilization of vesicles from cationic surfactants self-assembled on anionic block ionomer template. T. K. Bronich, M. Ouyang, A. Eisenberg, V. Kabanov, F. C. Szoka Jr., A. V. Kabanov

11:40—200. Solvation dynamics in unimolec-ular polymeric micelles. L. Frauchiger, H. Shirota, E. W. Castner Jr., K. Uhrich


M Electroactive Polymers for Corrosion Control/Prevention Synthesis and Testing

S. C. Yang, B. Wessling, K. J. Wynne, Presiding 8:15—201. Scanning vibrating electrode

study of electronically conducting polymers on aluminum alloy. J. He, V. J. Gelling, D. E. Tallman, G. P. Bierwagen

8:45—202. Electroactive polymers for corrosion inhibition of aluminum alloys. S. C. Yang, R. Brown, R. Racicot, Y. Lin, F. Mc-Clarnon

9:15—203. Corrosion protection properties of coatings of the aniline oligomers and their epoxy resin-cured derivatives based on salt spray and cyclic testing. Y. Wei, H. Jamasbi, S. Li, S. A. Jansen, L. T. Sein, S. Cheng

9:45—204. Amine-quinone polymers: A new class of corrosion-resistant coatings. H. Bie, M. Han, A. B. Helms, G. W. Warren, D. E. Nikles, S. C. Street

10:15—Intermission. 10:25—205. Unique method of aniline/DBSA

polymerization in aqueous dispersions: Blending with polymers and encapsulation of fillers. M. Narkis, E. Segal, Y. Haba, W. Jia, A. Siegmann

10:55—206. Corrosion protection of mild steel with polyaniline. T. Schauer, H. W. Greisiger, C. D. Eisenbach

11:15—207. Functionalized conducting polymer for coatings on metals. W. Li, S. C. Yang

11:35—208. Sulfur-quinone polyurethanes and the protection of iron against corrosion. Y. Hu, A. B. Helms, D. E. Nikles, S. C. Street, G. W. Warren, D. Yang


MONDAY AFTERNOON


Scanning Probe Microscopy of Polymers: The Next Generation Thin Polymer Films

A. J. Lovinger, M. H. Rafailovich, Presiding 1:30—209. AFM studies of confined dewet-

ting on gradient patterned surfaces. A. Ka-rlm, A. Sehgal, E. J. Amis

2:00—210. Scanning force microscopic observation of the protein adsorption behavior onto the surface of organosilane monolayers prepared by the Langmuir-Blodgett method. A. Takahara, Y. Hara, K. Kojio, T. Kajiyama

2:30—211. Oligo(ethylene glycol)-terminated monolayers under electrolyte solution studied with scanning force microscopy. G. Hàhner, C. Dicke, K. Feldman, W. Eck, S. Herrwerth

3:00—Intermission. 3:20—212. Characterization of poly-

(amidoamine) dendrimer packing by atomic force microscopy. J. Li, D. Qin, J. R. Baker Jr., D. A. Tomalia

3:40—213. Atomic force microscopy of tethered diblock copolymers. W. J. Brittain, B. Zhao, W. Zhou, S. Z. D. Cheng

4:00—214. Near-field scanning optical microscopy studies of nanoscale polymer ordering in thin films of poly(9,9-dialkyl-fluorene). J. A. Teetsov, D. A. Vanden Bout

4:20—215. Electrochemical AFM on surface-grafted poly(ferrocenylsilanes). M. Péter, M. A. Hempenius, R. G. H. Lammertink, M. T. van Os, G. J. Vancso

Section B JW Marriott Capitol Salon E

M Macromolecular Synthesis by Selective Chemical Modification

J. W. Mays, Presiding

1:20—216. Pyrenyl attachment to polyethylene is more selective with MeV-range particles than with eV-range photons. G. O. Brown, N. A. Guardala, J. L. Price, R. G. Weiss

1:40—217. Novel synthesis and modification of polymers via electron transfer. Z. Jed-linski, H. Janeczek, I. Bosek

2:00—218. Epoxidation of degraded polyvinyl chloride). T. Szakâcs, B. Ivân

2:20—219. Chemical modification of hexafluo-ropropyleneoxide oligomers for synthesis of segmented polyurethanes. A. A. Vaidya, Μ. Κ. Chaudhury

2:40—Intermission. 3:00—220. Synthesis and catalytic hydrogé

nation of poly(1,3-cyclohexadiene) star-shaped polymers. D. T. Williamson, K. P. Brazhnik, J. F. Elman, A. J. Pasquale, T. E. Long

3:20—221. Chemical modification of polyole-fins. A. O. Patil

3:40—222. Synthesis of biomedical graft-copolymers using polysaccharides as backbone polymers. T. Ouchi, T. Hirano, S. Maruhashi, H. Nishizawa, K. Shizuno, Y. Ohya

4:00—223. Synthesis of regioselectively functionalized polysaccharide esters avoiding protecting groups. R. Dicke, D. O. Klemm

4:20—224. Synthesis of novel branched polylactides and their biodégradation. F. Tasaka, H. Miyazaki, Y. Ohya, T. Ouchi

4:40—225. Nickel-mediated atom transfer radical polymerization of side-group siloxane-containing block copolymers for controlled wettability. J. P. Youngblood, T. J. McCarthy


M 4th International Biorelated Polymers Symposium Bioconjugated Nanocomposite Materials and Polymer Gels for Pharmaceutical Applications

L. E. Bromberg, Y. Nagasaki, Presiding

1:30—Introductory Remarks. 1:35—226. Novel synthesis of PEG/poly-

cation block copolymers possessing a reactive PEG-end group for high-performance gene targeting. Y. Nagasaki, D. Wakebayashi, Y. Akiyama, A. Harada, K. Kataoka

2:05—227. Creating functional groups on polymer surfaces with ω-functional surface-active block copolymers. J. Chen, Q. Fu, D. A. Smith, J. T. Koberstein

2:25—228. Reconstitution of thrombomodulin into polymerizable phospholipid vesicles. J. Feng, E. L. Chaikof

2:45—229. Preparation of liposomes containing dibranched amino acids and characterization of their glucose-binding properties. H. Seong, W-M. Choi, J-C. Kim, D. H. Thompson, K. Park

3:05—230. Bioconjugates of protein transduction domain and shell cross-linked nanoparticles: Nanostructured materials designed for cell delivery. J . Liu, Q. Zhang, K. L. Wooley

3:25—Intermission. 3:40—231. Modeling of drug release from

polymer matrix via diffusion and erosion. S. S. Talukdar, L. Yang, P. Alexandridis

4:00—232. Diffusivity of 3-D, ionically cross-linked alginate hydrogels. C. K. Kuo, P. X. Ma


4:20—233. Predicting degradation behavior of PLA-b-PEG-fc-PLA hydrogels. A. T. Metters, K. S. Anseth, C. N. Bowman

4:40—234. Engineering dynamic structure and activity in artificial protein hydrogels. S. Β. Kennedy, T. P. Russell, D. A. Tirrell

5:00—235. Rheology of pressure-sensitive adhesive hydrogels designed for skin application. S. V. Kotomin, T. A. Borodulina, M. M. Feldstein, V. G. Kulichikhin



General Session Novel Polymer Architectures

R. B. Moore, Organizer K. L. Wooley, Presiding 1:30—236. Control of polymer structure: Or

ganization by noncovalent interactions. G. Clavier, F. Ilhan, T. H. Galow, M. Gray, V. Rotello

1:50—237. Dendripore and dendrilock concepts: New controlled-delivery strategies. R. Esfand, D. A. Tomalia, A. E. Beezer, J. C. Mitchell, M. Hardy, C. Orford

2:10—238. Microgel formation in highly cross-linked polymers: Simulated and experimental results. J. B. Hutchison, K. S. Anseth

2:30—239. Radical-based preparation of block copolymers containing fluorine tags: Tools for detailed analysis of nanostructured materials. M. L. Becker, K. L. Wooley

2:5fj—240. Synthesis and characterization of novel nanostructured polymers enhanced by hydrogen bonding using liquid-crystal monomers. W-J. Zhou, D. Gin

3:10—241. Pom-pom polystyrene by convergent living anionic polymerization. D. M. Knauss, T. Huang

3:30—242. Synthesis of functional star-shaped polymers by living cationic polymerization. S. Kanaoka, T. Higashimura

3:50—243. Interpolymer complexes through hydrophobic interactions: C60-end-capped poly(ethylene oxide)/poly(acrylic acid) complexes. X. D. Huang, S. H. Goh

4:10—244. Synthesis of linear and hyperbranched poly(silyl ester)s via cross-dehydrocoupling-based polymerization. M. Wang, D. Gan, K. L. Wooley


TUESDAY MORNING


Scanning Probe Microscopy of Polymers: The Next Generation Microtribology and Applications

V. V. Tsukruk, K. J. Wahl, Presiding 8:30—245. Interfacial force microscopy: Ap

plication to polymer surfaces. J. E. Houston, R. M. Winter

9:00—246. Molecular-level interpretations of frictional force data collected with atomic force microscopy: Chain-length effects in self-assembled organic monolayers. S. S. Perry, S. Lee, T. R. Lee, M. Graupe, A. Puck, R. Colorado, R. Colorado Jr., I. Wenzl

9:30—247. Nanometer-scale structural, tri-bological, and optical properties of ultra-thin poly(diacetylene) films. R. W. Car-pick, D. Y. Sasaki, A. R. Burns

10:00—Intermission. 10:20—248. AFM study of positive chemical

ly amplified resists. Q. Lin, R. Sooriyaku-maran, W-S. Huang

10:40—249. Sliding friction between cellulose and silica surfaces. G. Bogdanovic, F. Tiberg, M. W. Rutland

11:00—250. AFM analysis of mass-produced nanostructures. D. A. Chernoff, C. S. Cook, D. L. Burkhead

11:20—251. Indentation behavior of the polymer third body generated in a PMMA/steel contact. A. Chateauminois, B. J. Briscoe, D. Parsonage

128 JULY 24, 2000 C&EN

Section B JW Marriott Capitol Salon Ε

Industrial Sponsors Award Ε. Sybertz, Organizer, Presiding 9:00—Introductory Remarks. G. Whitesides 9:25—252. New generation of nonabsorbed,

lipid-lowering polymers. W. H. Mandevllle 9:50—253. Polymers as novel drug delivery

systems. K. E. Uhrich 10:15—254. Current research in polymeric

pharmaceuticals. S. R. Holmes-Farley 10:40—255. Second-generation PEG-protein

pharmaceuticals. M. J. Roberts, M. D. Bentley, J. M. Harris

11:05—256. Self-assembly of block co-polypeptides. T. J. Deming

11:30—257. Synthetic and biosynthetic polymers with stimuli-responsive microdomains in aqueous media. C. L. McCor-mick, R. S. Armentrout, G. C. Cannon, G. G. Martin


General Session Composites and Blends

K. R. Carter, Presiding 8:30—258. Composite prepared from epoxi-

dized soybean oil. P. Lu, J. O. Stoffer, R. A. Babcock, L. R. Dharani

8:50—259. Fabrication and properties of new aramid fiber-cyanate ester composites. M. Sankarapandian, P. Shih, V. Gabara, G. L. Hendren, A. C. Loos, J. E. McGrath

9:10—260. Self-encapsulation of poly-2,7-fluorenes in a dendrimer matrix. D. Mar-sitzky, R. Vestberg, C. J. Hawker, K. R. Carter

9:30—261. Molecular weight and temperature dependence of the interfacial tension of PS/ PDMS blends using imbedded fiber retraction method. G. Biresaw, C. J. Carrière

9:50—262.Polymer-mediated"bricks-and-mor-tar" self-assembly of nanoparticles into discrete structured arrays. F. Ilhan, A. K. Boal, V. Rotello

10:10—263. Phosphine oxide containing polymer-based metal salt/polymer and silica/polymer hybrid nanocomposites. S. Wang, H. Zhuang, M. Sankarapandian, H. K. Shobha, A. R. Shultz, J. E. McGrath

10:30—264. Macromolecular engineering using novel alkoxyamines. Y. Gnanou, S. Robin, O. Guerret, J. L. Couturier

10:50—265. Rod/coil blends via specific interactions: Miscibility and properties. D. R. Dean, N. Venkatasubramanian, T. D. Dang, G. E. Price, F. E. Arnold

11:10—266. Synthesis of aminopropyltri-ethoxysilane-catalyzed organo-silica hybrid nanoparticles. R. M. Ottenbrite, J. S. Wall, J. A. Siddiqui

A Catalysis



• Environmental

M Materials




General Session Functional Polymeric Materials

Κ. Ε. Uhrich, Presiding 8:30—267. Azobenzene containing photody-

namic polymers from post-azo-coupling reaction. Y. He, H. Yang, X. Wang, Q. Zhou

8:50—268. Thermomorphic systems for Heck catalysis and metal sequestration. J. D. Frels, D. E. Bergbreiter, P. L. Osburn

9:10—269. Enzymatic synthesis of poly(4-hydroxystilbene): A new class of luminescent material. P. Wu, W. Liu, S. Balasu-bramanian, J. Kumar, L. Samuelson, S. K. Tripathy

9:30—270. Photocurable polymers based on methacrylates and dimethacrylates containing carbazole. J. E. McGrath, L. Ras-mussen, H. Shobha, M. Sankarapandian, Κ. Ε. Uhrich

9:50—271. Polymer electrolytes based on ethylene oxide-segmented microblock copolymers. K. A. Swan, M. K. Stowe, Y. Chen, J. Qiao, G. L Baker

10:10—272. Synthesis of novel, degradable polyanhydrides containing para-amino-salicylic acid as drug delivery devices for tuberculosis treatment. T. J. Anastasiou, Κ. Ε. Uhrich

10:30—273. Synthesis and characterization of novel silicone magnetic materials. J. S. Riffle, M. Rutnakornpituk, M. Vadala, K. S. Wilson, J. K. Hoyt

10:50—274. Mechanism of interactions between unimolecular polymer micelles and lipid bilayers. L. N. Albers, K. E. Uhrich

11:10—275. Synthesis and characterization of phosphine oxide diol modified epoxy adhesives. M. A. Hickner, A. Banthia, J. E. McGrath


TUESDAY AFTERNOON


Scanning Probe Microscopy of Polymers: The Next Generation Micromechanical Probing

J. E. Houston, G. F. Meyers, Presiding 1:30—276. Relationship between the in

crease of vibrating cantilever dissipation and relaxation processes at the molecular scale. G. Couturier Sr., J-P. Aimé, J. Sal-ardenne, A. Gourdon, S. Gauthier

2:00—277. Sliding transitions, mechanics, and dissipation in nanoscale contacts. K. J. Wahl, S. A. S. Asif, R. J. Colton

2:30—278. Tapping mode atomic force microscopy study of elastomers: Dynamics of tip-sample interaction. G. Bar, L. Deli-neau, R. Brandsch, M-H. Whangbo

3:00—Intermission. 3:20—279. Size and confinement effects in

thin polymer films. R. M. Overney 3:50—280. Scaling relationships for indenta

tion measurements. Y-T. Cheng, C-M. Cheng

4:20—281. Viscoelastic energy dissipation and time-dependent adhesion hysteresis of polydimethylsiloxane networks on the nanometer scale with atomic force microscopy. J. P. Pickering, D. Kriiger, B. Anc-zykowski, H. Fuchs, G. J. Vancso

4:40—282. New directions in tapping mode AFM of polymers: Toward full control of tip-sample forces and high resolution. T. Kowalewski



• Enviro-Compatible Syntheses and Processes: Targeting Sustainability Tutorial Lectures

Cosponsored with Division of Polymeric Materials: Science & Engineering R. A. Gross, H. N. Cheng, G. Swift, Organizers Η. Ν. Cheng, Presiding 1:30—283. Biotechnology: The third wave.

B. L. Marrs 2:15—284. In vitro enzyme-catalyzed poly

mer synthesis. R. A. Gross, A. Kumar, B. Kalra

3:00—Intermission. 3:15—285. C02 technology platform for sus

tainable manufacturing. J. M. DeSimone 4:00—286. Green chemistry and the polymer

industry. G. Swift


M Â Emerging Frontiers in Polyolefins Tutorials

T. E. Hanlon, P. Arjunan, Organizers, Presiding

1:30—Introductory Remarks. 1:35—287. Overview of synthesis and basic

chemical structure/physical property relationships in polyolefins. J. E. McGrath

2:05—288. Advances in single-site catalysis for olefin polymerization. P. Brant

2:50—289. Role activators in single-site olefin polymerization. T. J. Marks

3:35—Intermission. 3:45—290. Olefin polymerization by nonmet-

allocene group 4 metal complexes. R. R. Schrock

4:30—291. Advanced polyolefin characterization: Molecular architecture to solid-state microstructure. A. H. Tsou, T. Sun, M. L. Lyon, W. Hu, D. W. Abmayr Jr.

Section D

JW Marriott Capitol Salon F

Polymer Materials for the 21st Century: Industrial Sponsors Program

M. Jaffe, R. M. Ottenbrite, Organizers M. Jaffe, Presiding

2:00—Introductory Remarks. M. Jaffe 2:15—Making substantial that which is

superficial: The future of adhesion and polymer-based additives. A. V. Pocius

2:55—Polymer science and knowledge intensity in coatings systems. D. Engel

3:35—NASA: Polymers for the future. A-M. McGowan

4:15—New polyolefin structures by coordination polymerization of ethylene and propylene monomers. P. Brant



TUESDAY EVENING

Section A

Convention Center Exhibit Hall D

Joint PMSE/POLY Poster Session

6:00-8:00 M 4th International Biorelated Polymers Symposium

A. Kabanov, R. M. Ottenbrite, Organizers

292. Permeation of γ-globulin through micro-porous membrane under existence of trace DNA. K. Hirano, A. Komuro, M. Hara, M. Yokogi, S-l. Manabe, A. Higuchi

293. Synthesis of dendritic amphiphilic block copolymers by ATRP. S-G. An, C-G. Cho

294. Use of poly(ethylene oxide) nonionic surfactants as templates for enzyme-containing mesoporous sol-gel materials. J. Xu, H. Dong, Q. Feng, Y. Wei

295. Development of phase structure during the processing of poly(i_-lactic acid) scaffolds for tissue engineering. S-H. Zhu, P. X. Ma

296. Cyclic voltammetric analysis of methyl viologen in water and sulfonated polymer membranes. S. Kaur, D. Michalak, G. M. Florio

297. Selective anion sorption and recovery from wastewater by polyelectrolyte hydro-gels. D. R. Kioussis, P. Kofinas

298. Affinity photocross-linking for the efficient identification and isolation of heparin-binding proteins. Y. Suda, K. Mori, M. Na-kamura, S. Kusumoto, M. Sobel

299. Antimicrobial nylon. J. Lin, C. Winkel-mann, S. D. Worley, R. M. Broughton, J. F. Williams, J. Bickert

300. Attachment of proteins to polyvinyl alcohol) for biomedical applications. C. R. Nuttelman, K. S. Anseth

301. Chitosan macroporous scaffolds for cell culture. H. Seong, H-J. Baek, l-C. Kwon, S-Y. Jeong, E-H. B. Lee

302. Confinement effects in polymers under an applied field. R. Wenczel, C-Y. Shew

303. Conformational behavior of an isolated polymer chain labeled with an elastic ball. Y. Chen, C-Y. Shew

304. Enhanced production of antigen (CEA) and human antibody by mammalian cells cultured on various polymeric films. S. Adachi, M. Hara, M. Kamei, S. Hashi-zume, A. Higuchi

305. Evaluation of kinetic parameters of polylactide-co-polyethylglycolide. C. Wang, Y. Mao, G. L. Baker

306. Experimental studies of phase transitions in solutions of random heteropoly-mers. M. McCormick, J. A. Reimer

307. IFN-β production of fibroblast cells cultured on various polymeric membranes. Y. Takanashi, T. Ohno, M. Hara, T. Asakura, A. Higuchi

308. Microfabrication of hydrogels as polymer scaffolds for tissue-engineering applications. T. Yu, F. Chiellini, D. Schmaljo-hann, R. Solaro, C. Ober

309. Molecular recognition of vesicles containing pyrene compounds using fluorescence spectroscopy. H. Kofune, M. Hara, M. Maekawa, T. Nohmi, T. Kinoshita, A. Higuchi

310. Physicochemical aspects of drug release from poloxamer block copolymer gels. L. Yang, S. S. Talukdar, P. Alexan-dridis

311. Polymer matrix effects on the properties of amorphous calcium phosphate-filled composites. D. Skrtic, J. M. Antonucci, D. E. Eanes

312. Preparation of various surface-modified membranes and their optical resolution of amino acids. H. Yomogita, M. Hara, S. Maniwa, M. Saito, A. Higuchi

313. Self-aggregation phenomena in human mucin. L. E. Bromberg, D. P. Barr

JULY 24, 2000 C&EN 129


314. Size exclusion chromatography of high molecular weight polymers: Effects of flow rate and the creation of a universal calibration curve. Y. Cheng, R. K. Prud'homme

315. Stereoselective polymerization using a racemic catalyst. C. P. Radano, G. L. Baker, M. R. Smith III

316. Structurally controlled polymers from academia to industry: Poly-e-caprolac-tone-based block copolymers. S. K. Varshney, J. X. Zhang

317. Synthesis and characterization of pH and temperature-sensitive silk-elastinlike block copolymers for controlled drug delivery. A. Nagarsekar, J. Crissman, M. Crissman, F. Ferrari, J. Cappello, H. Ghan-dehari

318. Synthesis of aromatic polyanhydrides for controlled drug delivery. A. J. Sanders, F. W. Harris

319. Synthesis of novel hydrophilic biopoly-mers. Ε. Β. Walsh, M. J. Sheehy, M. W. Grinstaff

320. Synthesis of photocross-linkable bio-polymers for in situ applications. K. A. Smeds, M. W. Grinstaff

321. Synthesis, characterization, and evaluation of urethane derivatives of bis-GMA. C. A. Khatri, J. M. Antonucci, J. W. Stans-bury, C. R. Schultheisz

322. Transport of macromolecular drug carriers across microvascular beds. M. El-Sayed, M. Naimark, M. F. Kiani, H. Ghan-dehari

323. UV-induced radical grafting of hydrophilic monomers from dithiocarbamated polymer surfaces. N. Luo, J. B. Hutchison, N. P. Nartin, C. N. Bowman, K. S. Anseth

H À Emerging Frontiers in Polyolefins

P. Arjunan, Organizer P. Arjunan, T. E. Hanlon, J. E. McGrath, Presiding

324. Applications of cobalt(ll) porphyrins in controlled radical polymerizations of acry-lates in organic and aqueous media. L. Basickes, G. F. Parks, B. B. Wayland

325. Elementary reactions in the zirconocene activation process by methylaluminoxane. A. Deffieux, H. Cramail, J-N. Pédeutour

326. Homo- and copolymerization of mac-romonomers via coordination polymerization. P. J. Lutz, F. Breitling, J-F. Lahitte, F. Peruch, S. Plentz Meneghetti, F. Isel

327. Novel aluminum-based, transition-metal-free, catalytic systems for homo-and copolymerization of alkenes. J. S. Kim, A. Sen

328. Rapid monomer consumption during initiation of living cationic polymerization of olefins: Varying monomer/initiator combinations. R. F. Storey, Q. A. Thomas

329. Study of initiation effects in the living cationic polymerization of styrene using real-time ATR-FTIR monitoring. R. F. Storey, S. J. Jeskey

330. Crystalline texture investigation of linear low-density polyethylene blown films. J. Lu, H-J. Sue

331. Synthesis and characterization of novel styrene copolymers, including syndiotactic styrene homosequences. M. Caprio, A. Grassi, A. Zambelli

332. Synthesis of syndiotactic polyamino-styrene derivatives by using cationic metallocene/borate catalysts. G. Xu, T. C. Chung

333. Synthesis and properties of double-bond-terminated isotactic polypropylene. P-F. Fu, S. Glover, R. K. King, C-L. Lee, M. R. Pretzer, M. K. Tomalia

334. Zirconocene/MAO-catalyzed polymerization of ethene and 1-hexene: The influence of methyl substitution pattern on the cyclopentadienyl ligand. H. Wigum, L. Tangen, J. A. Stovneng, E. Rytter

130 JULY 24, 2000 C&EN

• Enviro-Compatible Syntheses and Processes: Targeting Sustainability Cosponsored with Division of Polymeric Materials: Science & Engineering

R. A. Gross, G. Swift, H. N. Cheng, Organizers

335. Chemoenzymatic synthesis of nucleo-side-branched polyvinyl alcohol). Y. Toki-wa, H. Fan, T. Raku, M. Kitagawa

336. Effect of DMSO on selective acylation of allopyranose catalyzed by protease. M. Kitagawa, Y. Tokiwa, T. Raku, H. Fan

337. Control of polyester-chain scission by lipase-catalysis. M. Bankova, A. Kumar, R. A. Gross, G. Impallomeni, A. Ballistreri

338. Exploiting lipase-catalysis to prepare an A2B hetero-arm block copolymer from glycerol. Y. Mei, A. Kumar, R. A. Gross

339. Functional bioresorbable copolymers from lipase-catalysis. A. Mahapatro, A. Kumar, R. A. Gross

340. HRP-mediated polymerizations of acryl-amide and sodium acrylate. B. Kalra, R. A. Gross

341. Lipase-catalysis facilitates copolymer-izations that were otherwise difficult or impossible by alternative chemical approaches. A. Kumar, K. Garg, W. Gao, R. A. Gross

342. Lipase-catalyzed pentadecalactone/ caprolactone copolymerizations. A. Kumar, B. Kalra, A. Dekhterman, R. A. Gross

343. Lipase-catalyzed grafting reactions on polysaccharides. Q-M. Gu

344. Methylated-p-cyclodextrin mediated aqueous polymerization of hydrophobic methacrylic monomers. P. H. Madison IV, T. E. Long

345. Patternable low-k dielectrics developed using supercritical C02. G. L. Weibel, H. Pryce Lewis, K. K. Gleason, C. Ober

346. Radical polymerization of methyl meth-acrylate initiated with a thermal iniferter. S. H. Qin, K. Y. Qiu, G. Swift, W. Lau, D. G. Westmoreland, S. Wu

347. Reworkable thermosets: Enabling disassembly of microelectronic components. J-S. Chen, C. K. Ober, M. D. Poliks

348. Sol-gel process of microencapsulation of reactive chemicals. M. Temchenko, C. Westmark, T. Tiano, R. Kovar, W. Zukas, N. Landrau

349. Study of thermomechanical properties of polyester with vinyl ether side chains before and after photocuring. D. E. Nikles, T. Woo, J-Y. Huh

M Macromolecular Synthesis by Selective Chemical Modification

M. A. Hillmyer, S. F. Hahn, Organizers

350. Polyetherimide/dicyanate semi-interpenetrating polymer networks having morphology spectrum. Y. S. Kim, S. C. Kim

351. Synthesis and electric properties of VDFfTrFE/HFP terpolymers. A. Petchsuk, T. C. Chung

352. Synthesis of novel macrocycles and polymers based on restricted rotation. Y. S. Chong, K. D. Shimizu

353. Molecular design of polyimides toward high proton conducting materials. Y. Zhang, M. H. Litt, R. F. Savinell, J. S. Wainright, J. Vendramini

354. Synthesis of syndiotactic polystyrene graft copolymer by atom transfer radical polymerization. S. Liu, A. Sen

355. Wholly aromatic five- and six-membered ring polyimides containing pendant sulfonic acid functional groups. N. Gunduz, J. E. McGrath

356. Readily, continuously, and reversibly tunable helical preference of optically active poly(phenylacetylenes). K. K. L. Cheuk, F. Salhi, J. W. Y. Lam, Β. Ζ. Tang

357. Regiospecific hydrolysis of poly(enami-nonitriles) and model compounds. J. A. Moore, Z. Li

358. Entirely hydrophilic shell cross-linked Knedel-like nanoparticles. Q. Ma, Ε. Ε. Remsen, T. Kowalewski, K. L. Wooley

359. Syntheses of polyethylene-based graft copolymers by atom transfer radical polymerization. S. Liu, A. Sen

360. Synthesis of optically active siloxane derivatives containing cyclopentene units. A. A. Vaidya

361. Coupling the affinity spectrum method with selective chemical postmodification for the improvement of imprinted polymers. K. D. Shimizu, R. J. Umpleby II

362. Dendrimers based on melamine. Ε. Ε. Simanek, W. Zhang

363. Effect of degree of saponification on the physicochemical properties of high molecular weight syndiotactic polyvinyl alcohol) solution. W. S. Lyoo, J. H. Choi

364. Functionalization of regioregular head-to-tail poly(3-alkylthiophenes) side chain. L. Zhai, R. McCullough

365. Hydrogen-bonding effects on molecular ordering and polymerization of mesogenic disklike diacetylenes. S. J. Lee, J. Y. Chang, M. J. Han

366. Imageable polymers using fluorocarbi-nol containing polydienes. Y. C. Bae, J. Dai, G. L. Weibel, C. K. Ober

367. Modification of the thermal cure of aryl-ethynyl end-capped imide oligomers. D. A. Schorzman, M. E. Wright, L. E. Pence

368. New poly(phenylacetylene)s bearing amino acid moieties. F. Salhi, K. K. L. Cheuk, J. W. Y. Lam, Β. Ζ. Tang

369. Syndiotactic polystyrene grafting branched polyethylene with [Ni(n-meth-allyl)(Br)]2/AICI3 catalyst. S. Liu, A. Sen

370. Synthesis and thermal properties of new thermosetting polysiloxanes containing Si-Η and C-C moieties on the silicon atom. P. N. Reddy, T. Hayashi, M. Tana-ka, M. Itoh

371. Mild route to highly fluorinated model polymers. Y. Ren, M. A. Hillmyer, T. P. Lodge

372. Block copolymerization of isobutylene with pivalolactone using site-transformation technique. Y. Kwon, R. Faust

373. Synthesis of well-defined polymers having linear polyethylene blocks via ROMP and hydrogénation. S. T. Trzaska, L-B. W. Lee, R. A. Register

374. Selective method for hydroxylation and derivatization of interior sites of polyolefin-ic films. C. Wang, R. G. Weiss

375. Synthesis of liquid-crystalline poly(oxy-ethylene)s containing (6-nonylsulfonyl)hex-ylsulfonyl side groups by chemical modification of poly(epichlorohydrin). J-C. Lee, Y. G. Kim, H-B. Lee, K. Oh, S-Y. Park, B. L. Farmer

Scanning Probe Microscopy of Polymers: The Next Generation

V. V. Tsukruk, N. D. Spencer, Organizers, Presiding

376. In situ biodégradation study of polyhy-droxyalkanote thin films using AFM. Β. Η. Augustine, C. J. Rossini, E. R. McCar-ney, M. Flythe, S. F. Baron, D. E. Dennis

377. Highly regular organization of conjugated polymer chains via block copolymer self-assembly. P. Leclère, D. Marsitzky, V. Francke, S. Setayesh, K. Mullen, J-L. Brédas, R. Lazzaroni

378. Effects of monolayer disorder on the friction of anchored alkane chains. J. A. Harrison, S. J. Stuart, P. T. Mikulski, A. B. Tutein

379. Langmuir monolayers from azoben-zene-containing dendrons. A. Sidorenko, C. Houphouet-Boigny, A. Greco, O. Villa-vicencio, M. Hashemzadeh, D. V. McGrath, V. Tsukruk

380. Atomic force microscopy studies of low-and high-density polyethylene held in tensile deformation. A. M. Opdahl, G. A. So-morjai

381. In situ crystalization study in PET films by elevated temperature AFM/UFM. V. N. Bliznyuk, K. Kirov, H. E. Assender, G. A. D. Briggs, Y. Tsukahara

382. Autocorrelation function analysis of the surface structure of amorphous PMMA. V. N. Bliznyuk, V. M. Burlakov, H. E. Assender, G. A. D. Briggs, Y. Tsukahara

383. Microthermal analysis of untrathin polymeric films with scanning thermal microscopy. V. V. Gorbunov, N. Fuchigami, V. V. Tsukruk

384. Microthermal analysis with scanning thermal microscopy. V. V. Gorbunov, N. Fuchigami, V. V. Tsukruk


385. Stability of microdomain morphology in tethered block copolymer monolayers. I. Luzinov, D. Julthongpiput, V. V. Tsukruk

386. Microtribological behavior of tethered block copolymer monolayers. I. Luzinov, D. Julthongpiput, V. Gorbunov, V. V. Tsukruk

387. Surface organization of hyperbranched polymer molecules, as studied by atomic force microscopy. P. Viville, A. Deffieux, M. Schappacher, P. Leclère, J-L. Brédas, R. Lazzaroni

WEDNESDAY MORNING


General Session Synthesis

A. E. Acar, Presiding

8:30—388. Air-induced (reverse) atom transfer radical polymerization of phenethyl methacrylate in the absence of an added initiator. A. E. Acar, M. B. Yagci, L. J. Mathias

8:50—389. Coupling reactions of polystyryl-lithium and dibromomethane: Comparisons with other dihalomethanes. E. S. Tillman, T. E. Hogen-Esch

9:10—390. Determining stereochemical relationships in polylactide: Synthesis and characterization of polylactide hexads. E. E. Paske, G. L. Baker

9:30—391. Effects of chelating agents on the quasiliving carbocationic polymerization of isobutylene. P. Werner Groh, B. Ivân, M. Szesztay, F. de Jong, T. Graafland

9:50—392. Novel dehydroalanine derivatives: Homopolymers and MMA copolymers. H. Yagci Acar, L. J. Mathias

10:10—393. Palladium (ll)-catalyzed copolymerization of norbomene with polar vinyl monomers. A. D. Hennis, A. Sen

10:30—394. Perfectly alternating poly(ar-ylene ether phosphine oxide)-b-poly-(dimethylsiloxane) copolymers. W. D. Polk, S. Wang, Y. Kim, M. Sankarapandi-an, T. E. Glass, J. E. McGrath

10:50—395. Retarded anionic polymerization: 5-lnfluence of alkyl substituents in PSLi/MgR2 initiating systems on the characteristics of high-temperature styrene polymerization. A. Deffieux, S. Menoret, S. Carlotti, P. Desbois, C. Schade, M. Font-anille

11:10—396. Synthesis and characterization of controlled molecular weight sulfonated aminofunctional poly(arylene ether sul-fone)s prepared by direct polymerization. J. B. Mecham, H. K. Shobha, F. Wang, W. L. Harrison, J. E. McGrath


• Enviro-Compatible Syntheses and Processes: Targeting Sustainability Development of Novel Methodologies

Cosponsored with Division of Polymeric Materials: Science & Engineering A. Steinbuchel, Presiding 8:30—397. Generation of environmentally

compatible polymer libraries via combinatorial biocatalysis. J. S. Dordick, D-Y. Kim, X. Wu

9:00—398. Synthesis and cationic photopo-lymerization of biorenewable monomers and oligomers. J. V. Crivello

9:30—399. Continuous application of enzymes and synzymes in membrane reactors. C. Wandrey, S. Laue

10:00—Intermission. 10:15—400. Evolving and screening en

zymes for new activities on polymer substrates. D. C. Youvan, W. J. Coleman, E. J. Bylina

10:45—401. Enzymatic polymer modification. J. T. Kellis Jr.

11:15—402. Toward the "greening" of adipic acid: Genes are only the beginning. Y. Ha-segawa, T. Tokuyama, P. C. K. Lau


M À Emerging Frontiers in Polyolefins Catalysis

P. Arjunan, Organizer T. E. Hanlon, P. Arjunan, Presiding

8:30—Introductory Remarks. 8:35—403. Next-generation nickel catalysts.

P. B. Mackenzie, L. S. Moody, C. M. Kil-lian, J. A. Ponasik Jr., G. G. Lavoie, J. C. Pearson, T. W. Smith, L. A. Tucker, M. R. Moore, A. K. Farthing, G. A. King, M. D. Meadows, C. S. Sass, E. P. Savitski

9:05—404. Structure, mechanism, and reactivity in single-site olefin polymerization catalysis. T. J. Marks

9:35—405. Using electrophile-functionalized metallocene intermediates in the design of olefin polymerization catalysts. P. A. Deck, O. W. Lofthus, X. Cheng

10:05—Intermission. 10:15—406. Binuclear constrained geometry

catalysts and binuclear bisborate cocata-lysts for olefin polymerization. L. Li, T. J. Marks, L. M. Liable-Sands, A. L. Rhein-gold, M. V. Metz

10:45—407. Variation of isospecific active sites on MgCI2-supported Ziegler catalysts. M. Terano, H. Matsuoka, B. Liu

11:15—408. 1- and 2-Substituted (η3-allyl)palladium(ll) catalysts for the addition polymerization of norbornene. W. Risse, F. Peruch

11:45—409. Bis-amides and amine bis-amides as ligands for olefin polymerization catalysts based on V(IV), Cr(IV), and Mn(IV): A density functional theory study. T. K. Firman, T. Ziegler


WEDNESDAY AFTERNOON


General Session New Materials

R. B. Moore, Presiding 1:30—410. Aliphatic polyesters containing

symmetrical glutamic acid diketopipera-zines. L. S. Somlai Jr., D. A. Parrish, L. J. Mathias

1:50—411. Study of crystallization kinetics in Zenite thermotropic liquid-crystalline polymer. P. K. Pallathadka, T-S. Chung

2:10—412. Synthesis and characterization of poly(4,4 ,-oxydiphthalic anhydride-co-2,2'-dimethyl-4,4'-diaminobiphenyl)amic acid and its imide-kinetic study. P. S. G. Krishnan, R. H. Vora, T-S. Chung

2:30—413. Solid supports for C02 applications. S. A. Crétté, J. M. DeSimone, R. G. Carbonell, W. Tumas, J. T. Brady

2:50—414. Synthesis of pom-star polystyrene. D. M. Knauss, T. Huang

3:10—415. Synthesis of random solution SIRs using distributed monomer feed systems. G. Xu, M. L. Kerns, S. Christian

A Catalysis



• Environmental

M Materials



3:30—416. Synthesis of sulfonated poly(phen-ylene sulfide sulfone)s via direct polymerization. F. Wang, J. B. Mecham, W. Harrison, J. E. McGrath

3:50—417. Kinetic models for hyper-branched polymerization and copolymer-ization. D. Yan

4:10—418. Photoresponsive self-assembled multilayers of three new azo polyelectro-lytes. X. Tuo, Z. Chen, L Wu, X. Wang, D. Liu

4:30—419. Preparing a brominated poly(/> methylstyrene-costyrene)-/>poly(ethylene-co-butene)-/?/oc/c-poly(p-methylstyrene-co styrene). R. C-C. Tsiang, C-Y. Tsai


• Enviro-Compatible Syntheses and Processes: Targeting Sustainability Biocatalytic Routes to Polyesters and Polycarbonates

Cosponsored with Division of Polymeric Materials: Science & Engineering J. S. Dordick, Presiding 1:30—420. In vivo and in vitro metabolic en

gineering of PHA biosynthesis pathways. A. Steinbuchel

2:00—421. Controlling the polymer micro-structure of biodegradable polyhydroxyal-kanoates. A. S. Kelley, F. Srienc

2:25—422. Enzyme-catalyzed direct polyes-terification. K. F. Brandstadt, J. C. Saam, A. Sharma

2:50—423. Green synthetic process of aliphatic polycarbonates from C02 and their biodegradabilities. M. Ree, Y-T. Hwang, H. Kim

3:15—Intermission. 3:30—424. Enantio- and regioselective poly

merization with lipase catalysis to polyesters. S. Kobayashi, H. Uyama

4:00—425. Lipase-catalyzed transesterifica-tion: New synthetic routes to copolyesters. A. Kumar, R. A. Gross

4:25—426. Functional polycarbonate synthesis: Enzymatic approach. K. S. Bisht, T. F. Al-Azemi


M À Emerging Frontiers in Polyolefins Synthesis

P. Arjunan, T. E. Hanlon, Presiding

1:30—Introductory Remarks. 1:35—427. C2-Symmetric zirconocenes for

high molecular weight amorphous polypropylene. D. Balboni, G. Moscardi, I. E. Nifant'ev, G. Baruzzi, D. Angeli, L. Resconi

2:05—428. Kinetics of propylene polymerization using bis(2-phenylindenyl)zirconium dichloride/MAO. R. M. Waymouth, S. Lin

2:35—429. Long-chain branched polypropylene via macromer incorporation. W. Weng, E. J. Markel, A. H. Dekmezian

3:05—Intermission. 3:15—430. Metallocene polymerization with

reactive chain-transfer agent: Synthesis of telechelic polyolefin and functional poly-olefin diblock copolymers. G. Xu, J. Y. Dong, T. C. Chung

3:45—431. New chemistry for surface modification of polyethylene. D. E. Bergbreiter

4:15—432. Synthesis and properties of polyolefin hybrid copolymers containing polyhedral oligosilsesquioxane. L. Zheng, R. J. Farris, E. B. Coughlin

THURSDAY MORNING


M Polymers in Museums: Preservation for the Next Millennium

M. T. Baker, Organizer, Presiding

8:55—Introductory Remarks. 9:00—433. Polymers in time capsules: A tu

torial. M. T. Baker, D. van der Reyden, D. C. Williams

10:15—434. Permanence of plasticizers in polyvinyl chloride objects in the museum environment. Y. Shashoua

10:45—Intermission. 11:00—435. Saving America's treasures:

Threatened artifacts from the Apollo era. L. A. Young

11:30—436. Imitation leather coverings in early car production: The Wanderer W10/II. I. Carow


• Enviro-Compatible Syntheses and Processes: Targeting Sustainability Advances in Polysaccharides

Cosponsored with Division of Polymeric Materials: Science & Engineering R. A. Gross, Presiding 8:30—437. Synthesis and modification of

carbohydrates through biotechnology. W. Xie, P. G. Wang

9:00—438. Enzymatic degradation of a water-soluble polysaccharide. Y. Cheng, R. K. Prud'homme

9:25—439. Grafting renewable chemicals to . functionalize chitosan. G. F. Payne, L. Va-

choud, T. Chen, J. Govar 9:50—440. Characterization of polysacchar

ides by solution NMR spectroscopy: Bacterial polysaccharide vaccines. C. A. Bush

10:20—Intermission. 10:30—441. Assessment of the environmen

tal impact of Mater-Bi starch-based materials in specific industrial applications. C. Bastioli, L. Marini

11:00—442. Enzymatic modifications of water-soluble polymers. H. N. Cheng, Q-M. Gu

11:25—443. In vitro biosynthesis of plant β-glucans. J. Lai Kee Him, H. Chanzy, L. Pelosi, J-L. Putaux, V. Bulone


M À Emerging Frontiers in Polyolefins Synthesis/Characterization


8:30—Introductory Remarks. 8:35—444. Synthesis and characterization of

maleic anhydride-cyclic olefin alternating copolymers. A. J. Pasquale, R. Karro, R. D. Allen, T. E. Long

9:05—445. Study of the uptake of endo- versus exo-norbornenes in insertion polymerization. A. D. Hennis, A. Sen

9:35—446. In vitro enzyme-catalyzed vinyl polymerization. B. Kalra, R. A. Gross

10:05—Intermission. 10:15—447. Kinetics of isothermal melting of

isotactic polypropylenes with different degrees of stereoregularity. R. G. Alamo, W. T. Huang, L. Mandelkern

10:45—448. Melting and crystallization behavior of polyethylene copolymers: Relationship to temperature rising elution fractionation. F. M. Mirabella Jr.

11:15—449. Sequence control of ethylene-a-olefin copolymers with bridged metal-locenes. R. M. Waymouth, W-H. Fan, M. Leclerc


THURSDAY AFTERNOON

Section A

JW Marriott Grand Salon I

M Polymers in Museums: Preservation for the Next Millennium

Y. Shashoua, Presiding

1:30—Introductory Remarks. 1:35—450. Laser ablation of artificially aged

dammar layers of controlled thickness: Spectroscopic studies on the degree of aging. S. Boyatzis, A. Kaminari, A. Man-ousaki, V. Zafiropulos

2:05—451. Investigation of Laropal A81: Paraloid B72 polymer blends as picture varnishes. J. M. Arslanoglu

2:35—452. Can artists' oil paints be accelerated aged? D. Erhardt, C. S. Tumosa, M. F. Mecklenburg

3:05—Intermission. 3:20—453. Characterization of plant fibers

by IR spectroscopy. P. Garside, P. Wyeth 3:50—454. Staying in shape: The stability of

structural proteins in natural history museum storage fluids. D. W. Von Endt


• Enviro-Compatible Syntheses and Processes: Targeting Sustainability Biorelated Reactions and Applications

Cosponsored with Division of Polymeric Materials: Science & Engineering G. Swift, Presiding 1:30—455. Biochemical synthesis of water-

soluble conducting molecular complex of polyaniline and lignosulfonate. S. K. Trip-athy, F. F. Bruno, L. Samuelson, R. Naga-rajan, J. Kumar

2:00—456. Gel formation by enzyme-selective cross-linking of tyramine-decorated poly(aspartamide). B. Kalra, A. Kumar, R. A. Gross

2:25—457. Synthesis and polymerization of new monomers derived from itaconic anhydride and pentaerythritol. M. Ramos, S. J. Huang

2:50—458. Global warming reduction by polymers in automotive fuels. P. F. Waters

3:15—Intermission. 3:30—459. Polymer-modulated, diffusion-

controlled enzyme kinetics on monolayers. K. Tanaka, H. Yu

4:00—460. Controlled/living" polymerization of 2-(/V-morpholino) ethyl methacrylate by atom transfer radical polymerization in aqueous solution at 20 °C. F. L. G. Malet, Ν. C. Billingham, S. P. Armes

4:25—461. Vinyl radical polymerization with a multifunctional iniferter technique. S. H. Qin, K. Y. Qiu


M À Emerging Frontiers in Polyolefins Structure/Property Relationships


1:30—Introductory Remarks. 1:35—462. Properties of isotactic polypro

pylene): Some old, some new. L. Mandelkern

2:05—463. LCB polymer-chain dimensions: Application of topology to the Zimm-Stockmayer model. D. Bonchev, E. J. Markel, A. H. Dekmezian

2:35—464. Crystallization, melting, and morphology at ambient and high pressures of homogeneous ethylene copolymers with high comonomer contents. V. B. F. Ma-thot, S. V. Eynde, G. Hôhne, H. Reynaers

3:05—Intermission. 3:15—465. Investigation on the structural pa

rameters of polyethylenes obtained using a Pd catalyst. P. J. Lutz, S. Plentz Men-eghetti, J. Kress, A. Lapp, M. Duval

3:45—466. Cessation of spherulitic growth in phase-separating polyolefin blends. H. Wang, C. C. Han

JULY 24, 2000 C&EN 1 3 1

PMSE/TECHNICAL PROGRAM

PMSE

DIVISION OF POLYMERIC MATERIALS: SCIENCE & ENGINEERING L. F. Charbonneau, Program Chair

Electroactive Polymers for Corrosion Control/Prevention (see Division of Polymer Chemistry, Sun, Mon, page 126)

Emerging Frontiers in Polyolefins (see Division of Polymer Chemistry, Tue, Wed, Thu, page 129)

General Session (see Division of Polymer Chemistry, Mon, Tue, Wed, page 128)

Industrial Sponsors Award (see Division of Polymer Chemistry, Tue, page 129)

Macromolecular Synthesis by Selective Chemical Modification (see Division of Polymer Chemistry, Sun, Mon, Tue, page 125)

Polymer Materials for the 21st Century: Industrial Sponsors Program (see Division of Polymer Chemistry, Tue, page 129)

Polymers in Museums: Preservation for the Next Millennium (see Division of Polymer Chemistry, Thu. page 131)

Scanning Probe Microscopy of Polymers: The Next Generation (see Division of Polymer Chemistry, Sun, Mon, Tue, page 125)

True Stories of (Women in) Small Chemical Businesses (see Division of Small Chemical Businesses, Tue, page 137)

Online Preprints: Implications for Chemistry (see Presidential Event. Sun, page 58)

SOCIAL EVENTS: Breakfast, Sun, Mon, Tue, Wed Reception, Sun, Mon Social Hour, Tue BUSINESS MEETING: Wed

SUNDAY MORNING

Section A JW Marriott Commerce

M Materials for Transportation R. A. Dickie, Organizer, Presiding 8:30—Introductory Remarks. 8:40—1. All-natural composites for the trans

portation industry. R. P. Wool, S. N. Khot, J. J. LaScala, S. P. Bunker, W. Thiele-mans, S. S. Morye

9:05—2. Network structure and properties of dimethacrylate-styrene matrix materials for fiber-reinforced composites. E. Burts, A. C. Rosario, A. R. Shultz, J. S. Riffle

9:30—3. Synthesis and properties of novel UV-resilient dimethacrylate networks. B. Starr, E. Burts, J. R. Upson, J. S. Riffle

9:55—Intermission. 10:10—4. Extremely reinforced matrix-free

plastics from aramid fibers. S. V. Kotomin 10:35—5. Inorganic-organic hybrid polymers

for ultra-high-temperature applications. T. M. Keller, D. D. Dominguez

11:00—6. Silarylene-siloxane-diacetylene polymers as precursors to high-temperature elastomers. C. L Homrighausen, T. M. Keller

11:25—7. New aromatic perfluorovinyl ether monomers containing the sulfonimide acid functionality. L A. Ford, D. W. Smith Jr., D. D. DesMarteau

Section Β JW Marriott Capitol Ballroom, Salon H-K

• Fire and Polymers Fire-Smart Polymers

G. L. Nelson, C. A. Wilkie, Organizers G. L. Nelson, Presiding 8:30—8. Fire-smart polymers. Ε. Μ. Pearce,

E. D. Weil, V. Y. Barinov 9:00—9. Comparative characterization study

of the properties, including degradation, of high-temperature polyimide foams. M. K. Williams, G. L Nelson, E. S. Weiser, T. L St. Clair

9:30—10. Thermal and fire behavior of poly-benzazole fibers. X. Flambard, S. Bour-bigot, S. Duquesne, F. Poutch

10:00—11. Burning behavior of fiber-reinforced composites and the role of char formation. R. Horrocks, B. Kandola, P. Myler, D. Blair

10:30—12. Improved fire-resistant textiles through development of novel char structures. R. Horrocks, B. Kandola, P. Davies, M. Miraftab

11:00—13. Cross-linking of polystyrene by Friedel-Crafts chemistry: A review. H. Yao, J. Zhu, M. A. McKinney, C. A. Wilkie

11:30—14. Catalysis of intumescent flame retardance of polypropylene by metal compounds. M. Lewin, M. Endo

Section C JW Marriott Capitol Ballroom, Salon A-C

H Tess Award Symposium on UV Degradation of Polymers Weathering Studies I

D. R. Bauer, R. F. Brady, Organizers D. R. Bauer, Presiding 8:30—Introductory Remarks. 8:35—15. Anticipating weathering-induced

cracking in automotive clearcoats. M. Nichols, J. Tardiff

9:05—16. Chemical depth profiling of automotive coating systems. K. Adamsons

9:35—17. Migration effects in multilayer paint systems. P. Lamers

10:05—18. Effects of relative humidity on photodegradation of acrylic melamine coatings: A quantitative study. T. Nguyen, J. Martin, E. Byrd, N. Embree

10:35—19. Spatial effects in polymer degradation: A study by 1-D and 2-D electron spin resonance imaging. S. Schlick, K. Kruczala, M. V. Motyakin, J. L. Gerlock

11:05—20. Positron annihilation spectroscopy as a novel accelerated method for UV degradation of polymers. Y. C. Jean, Y. Li, P. Mallon, R. Zhang, H. Chen, J. Zhang, C-M. Huang, T. C. Sandreczki, Y. Y. Huang

Section D JW Marriott Grand Ballroom, Salon III

M Organic Thin Films for Photonic Applications Electro-Optic Materials and Devices

Cosponsored with Optical Society of America and Division of Polymer Chemistry R. J. Twieg, A. K-Y. Jen, R. A. Norwood, R. Heflin, Organizers R. Heflin, Presiding 8:00—21. Perspective in the evolution of

polymers for photonic applications. K. J. Wynne

8:30—22. Layer-by-layer self-assembly of large-response molecular electro-optic materials by a desilylation strategy. M. E. van der Boom, A. G. Richter, J. E. Malin-sky, P. Dutta, T. J. Marks, P. A. Lee, N. R. Armstrong


8:50—23. Second-order nonlinear optical properties of ionically self-assembled films containing dianionic chromophores. P. J. Neyman, M. T. Guzy, S. Shah, H. Wang, H. W. Gibson, K. E. Van Cott, R. M. Davis, C. Figura, J. R. Heflin

9:10—24. Orientation of chromophores in layer-by-layer films. D. M. DeWitt, P. T. Hammond

9:30—Intermission. 9:50—25. Novel perfluorocyclobutane-

containing thermoset polymers and den-drimers for electro-optic devices. H. Ma, B. Chen, L. R. Dalton, A. K-Y. Jen

10:10—26. Recent progress in fabricating wideband polymer electro-optic modulators for space applications. R. R. Barto, S. E. Ermer, W. W. Anderson, D. G. Girton, L. J. Dries, R. E. Taylor, T. E. Van Eck, W. D. Eades, A. S. Moss, G. S. Mendenilla

10:30—27. Electro-optic modulation (40 MHz) in transmission and reflection using single-crystal thin films of DAST. A. K. Bhowmik, S. Tan, A. C. Ahyi, A. Mishra, M. Thakur

10:50—28. New cross-linkable polyesters for photonic applications. S. Sun, S. Maaref, E. Alam, J. Saulter, S. Waytt

11:10—29. Design and synthesis of noncen-trosymmetric organic thin films with hydrogen-bonded main-chain polymers. C. Landorf, J. Simpson, J. Jacobsen, D. J. Dyer

SUNDAY AFTERNOON

Section A JW Marriott Commerce

M Materials for Transportation R. A. Pett, R. A. Dickie, Presiding 1:30—Introductory Remarks. 1:40—30. Automotive recycling: The elas

tomer challenge. R. A. Pett 2:05—31. Recycling of polymer-modified as

phalt pavement. W. H. Daly, 1.1. Negules-cu, L. N. Mohammad, P-H. Yeh

2:30—32. Surface oxidation of phenolic disks and its effects on frictional behavior. P. S. Valimbe, V. M. Malhotra, R. D. West

2:55—Intermission. 3:10—33. Thermal decomposition of

ethylene-propylene rubber using isothermal thermogravimetric analysis. C. Gam-lin, N. K. Dutta, N. Roy Choudhury, J. G. Matisons

3:35—34. Synthesis and characterization of epoxy-novolac composite-steel adhesives. M. B. Bump, A. Y. Carmichael, C. S. Ty-berg, J. S. Riffle

4:00—35. Rubber-modified dimethacrylate adhesives. L. A. Harris, E. Burts, J. S. Riffle

4:25—36. Nitrile-containing polysiloxane adhesives and sealants. J. K. Hoyt, J. P. Phillips, J. S. Riffle

Section Β JW Marriott Capitol Ballroom, Salon H-K

• Fire and Polymers Fire-Retardant Systems I

M. M. Hirschler, Presiding 1:30—37. Cone calorimetric analysis of mod

ified polyurethane elastomers and foams with flame-retardant additives. G. L Nelson, C. Jayakody, N. Najafi-Mohajeri

2:00—38. Mechanism of expandable graphite fire-retardant action in polyurethanes. G. Camino, S. Duquesne, R. Delobel, B. Eling, C. Lindsay, T. Roels

2:30—39. Solid-state NMR study on the effects of fire retardants on the thermal degradation of a flexible polyurethane foam. C. M. Dick, J. J. Liggat, C. E. Snape, S. C. Martin, C. Denecker, G. Seeley, B. Eling, C. Lindsay, P. Chaffanjon

3:00—40. Phosphorus-containing fire retardants in aliphatic nylons. S. V. Levchik, G. F. Levchik, E. A. Murashko


Biochemistry of Polysaccharides (see Division of Carbohydrate Chemistry, Tue, Wed, page 67)

Interfacial Adhesion and Molecular Composites (see Division of Colloid & Surface Chemistry, Mon, page 77)

Langmuir Lectures (see Division of Colloid & Surface Chemistry, Tue, page 79)

Metal Oxide Catalysts: Active Sites, Intermediates, and Reaction Mechanisms (see Division of Colloid & Surface Chemistry, Mon, Tue, Wed, Thu, page 77)

Microbial Biofilm Formation (see Division of Colloid & Surface Chemistry, Sun, page 76)

Microemulsions: Properties and Applications (see Division of Colloid & Surface Chemistry, Sun, Mon, page 76)

Organic Films for Recognition, Sensing, and Templating at Biological Interfaces (see Division of Colloid & Surface Chemistry, Tue, Wed, Thu, page 79)

Polymer Interfaces: Adsorption, Self-Assembly, and Blend Interfaces (see Division of Colloid & Surface Chemistry, Tue, Wed, Thu, page 79)

Poster Session (see Division of Colloid & Surface Chemistry, Mon, page 77)

Surfactants, Polymers, and Colloids in the Aquatic Environment (see Division of Colloid & Surface Chemistry, Sun, Mon, page 76)

Functional Nanostructures (see Division of Industrial & Engineering Chemistry, Sun, Mon, Tue, page 93)

Advanced Materials and Nanotechnology (see Division of Industrial & Engineering Chemistry, Wed, Thu, page 94)

Materials, Macromolecules, and Nanoscience (see Division of Physical Chemistry, Wed, page 123)

Materials, Devices, and Switches (see Division of Organic Chemistry, Sun, page 110)

Molecular Recognition and Self-Assembly (see Division of Organic Chemistry, Wed, page 115)

Proteins, Peptides, Amino Acids, and Nucleotides (see Division of Organic Chemistry, Mon, page 113)

4th International Biorelated Polymers Symposium (see Division of Polymer Chemistry, Sun, Mon, Tue, page 126)

132 JULY 24, 2000 C&EN

3:30—41. Fire safety of marine composites. U. Sorathia, T. Gracik, J. Ness, M. Blum, A. Le, Β. Scholl, G. Long

4:00—42. Tough, void-free flame-retardant phenolic networks: Processability and properties. S. L. Lin, M. Rutnakompituk, C. S. Tyberg, J. S. Riffle, U. Sorathia

4:30—43. Flammability studies of fire-retardant coatings on wood. J. Koo, W. L. Wootan, W. K. Chow, H. W. Au Yeung, S. Venumbaka

Section C JW Marriott Capitol Ballroom, Salon A-C

• Tess Award Symposium on UV Degradation of Polymers Weathering Studies II

D. R. Bauer, Presiding

1:30—Introductory Remarks. 1:35—44. Degradation and delamination of

PVC plastisol coil coatings during weathering. L. G. J. van der Ven, I. Ahlstrôm, T. Lundqvist

2:05—45. Unexpected electronic effects on benzotriazole UV absorber photostability: Mechanistic implications beyond excited-state intramolecular proton transfer. J. C. Suhadolnik, A. D. DeBellis, C. Hendricks-Guy, R. Iyengar, M. G. Wood

2:35—46. Effectiveness of UV absorbers in selected automotive topcoats. P. K. Oberg

3:05—47. Kinetic study of the photostabiliza-tion of polypropylene films by a hydroxy-phenylbenzotriazole. S. J. Girois, P. Del-prat, L. Audouin, J. Verdu

3:35—48. Weathering behavior of automotive window seal compound. N. R. Choud-hury, M. Ginic-Markovic, J. G. Matisons

4:05—49. Analytical studies of spectrally exposed polyethylenenaphthalate. R. M. Fischer, W. D. Ketola, R. M. Dittmar, R. M. King


M Organic Thin Films for Photonic Applications Microfabrication and Photonic Band Gap Structures

Cosponsored with Optical Society of America and Division of Polymer Chemistry

Ft. A. Norwood, Presiding

1:30—50. Photonic band gap properties of thin films patterned with 3-D periodic structures. Y. Xia, B. D. Gates

2:00—51. Novel polymer matrices for encapsulation of crystalline colloidal arrays for photonic band gap applications. S. H. Foulger, S. Kotha, B. Sweryda-Krawiec, T. W. Baughman, P. Jiang, J. M. Ballato, D. W. Smith Jr.

2:20—52. Colloidal crystalline films of poly(styrene-co-hydroxyethyl methacry-late) latices. Y. Chen, W. T. Ford

2:40—53. Fabrication of subwavelength dif-fractive elements and photonic waveguides using perfluorocyclobutyl polyaryl ethers. H. V. Shah, P. C. Deguzman, G. P. Nordin, J. M. Ballato, S. H. Foulger, D. W. Smith Jr.


A Catalysis



• Environmental

H Materials

if Pharmaceuticals & Life Sciences


3:20—54. Applications of electron-poor and electron-rich compounds for photonics. S. R. Marder, V. Alain, J-L. Brédas, J. K. Cammack, C. Grasso, M. Halik, S. M. Kuebler, J. W. Perry, M. Rumi, F. Stellac-ci, W. Wenseleers, Y. Zhang

3:50—55. Two-photon fabrication of 3-D microstructures using a femtosecond laser. S. Kawata, T. Tanaka

4:20—56. Patterned fluorescence images by photoacid-induced fluorescence quenching in polymer film. K-D. Ahn, J-M. Kim, K. H. Park, D. K. Han

MONDAY MORNING

Section A JW Marriott Capitol Ballroom, Salon H-K

M Coatings for Transportation Film-Forming Polymers and Film Properties

R. F. Brady, F. N. Jones, M. Nichols, Organizers F. N. Jones, Presiding

8:30—Introductory Remarks. 8:40—57. New continuous polymerization of

coating resins in Taylor reactors. I. Conrad, S. Kossak, J. Langenbuch, H-U. Mor-itz, W. A. Jung, H-P. Rink

9:05—58. Analytical investigations on acrylic polyurethane hybrid dispersions. H. Kag-erer, H-U. Moritz, H-P. Rink, W. A. Jung

9:30—59. Polyurethane/polysiloxane ceram-er coatings. H. Ni, A. H. Johnson, J. Chen, M. L. Fries, A. D. Skaja, M. D. Soucek, W. J. Simonsick Jr.

9:55—60. Cycloaliphatic diepoxide cross-linkable latices: The effect of hydroxyl functionality location. G. Teng, M. D. Soucek

10:20—61. Moisture-curing polyurea/ polysiloxane ceramer coatings: Evaluation of corrosion inhibition. H. Ni, J. Li, L. He, A. D. Skaja, M. L. Fries, M. D. Soucek

10:45—62. Surface modification of epoxy films by cross-linkable fluorinated surfactants. R, D. van de Grampel, W. J. H. van Gennip, B. Wassing, M. J. Krupers, J. Laven, J. W. Niemantsverdriet, R. van der Linde

11:10—63. Plasma-polymerized fluoropoly-mer thin films. M. S. Silverstein, R. Chen, E. Sacher, L. Sandrin

Section Β JW Marriott Capitol Ballroom, Salon A-C

• Fire and Polymers Fire-Retardant Nanocomposites

J. W. Gilman, Presiding 8:30—64. Flammability of polystyrene-clay

nanocomposites. A. B. Morgan, J. W. Gil-man, R. H. Harris Jr., C. L. Jackson, C. A. Wilkie, J. Zhu

9:00—65. Recent studies on thermal stability and flame retardancy of polystyrene-montmorillonite nanocomposites. J. Zhu, F. Lamelas, C. A. Wilkie

9:30—66. Flame retardancy of graphite nanocomposites. F. M. Uhl, F. J. Lamelas, C. A. Wilkie

10:00—67. Thermal and flammability properties of a silica-PMMA nanocomposite. A. B. Morgan, J. M. Antonucci, M. R. VanLand-ingham, R. H. Harris Jr., T. Kashiwagi

10:30—68. Polymer-layered silicate nanocomposites: Thermal stability of organic cationic treatments. J. W. Gilman, A. B. Morgan, R. H. Harris Jr., P. C. Trulove, H. C. De Long, T. E. Sutto

11:00—69. Comparative study of the effect of aluminosilicates on intumescent flame retardancy of PP/APP/PER systems by CONE/LOI/XPS. J. Wang, P. Wei, J. Hao

11:30—70. Role of interface modification in flame-retarded, multiphase polyolefin systems. G. Marosi, P. Anna, S. Szabo, I. Ravadits, A. Mârton

Section C

JW Marriott Commerce

H Tess Award Symposium on UV Degradation of Polymers Accelerated Tests I

G. R. Pilcher, Presiding

8:30—Introductory Remarks. 8:35—71. Relevancy of accelerated and ul-

traaccelerated photoaging: The example of stabilized polypropylene. J. Lemaire

9:05—72. Kinetics of polycarbonate pho-toyellowing: An initiation/spreading model. J. E. Pickett

9:35—73. Instrument selection affects correlation of laboratory and outdoor exposures of sealants. G. Wypych, F. Lee, B. Pourdeyhimi

10:05—74. Use of integrating spheres as uniform sources for accelerated UV weathering of advanced materials. J. W. Chin, J. W. Martin, E. Embree, E. Byrd

10:35—75. Polyamide 11 fine powder Rilsan: Representative accelerated aging is possible. S. P. Gaumet

11:05—76. Patterns of erosion from acrylic and fluoropolymer coatings in accelerated and natural weathering tests. K. A. Wood, L. Hedhli, J. Willcox

Section D

JW Marriott Grand Ballroom, Salon III

H Organic Thin Films for Photonic Applications Photorefractive and Nonlinear Optical Polymers


R. J. Twieg, Presiding

8:30—77. Optimization of molecular and su-pramolecular properties of merocyanine dyes for photorefractive organic glasses. F. Wurthner, S. Yao, R. Wortmann

9:00—78. Photoconductive mechanisms in the dynamic photorefractive response in polymer composites. O. Ostroverkhova, K. D. Singer, L. Sukhomlinova, R. J. Twieg

9:20—79. Photoconductive fatigue studies in fast photorefractive polymers. J. A. Her-locker, K. B. Ferrio, E. Hendrickx, Y. Zhang, J-F. Wang, E. Mash, N. Peygham-barian, B. Kippelen

9:40—80. Charge-carrier mobility studies of potential photorefractive dendrimers. J. M. Takacs, S. Ducharme, A. P. Leonov, L. Liu

10:00—Intermission. 10:30—81. Quantified photoorientation of

photoisomerizable chromophores. Z. Sekkat, H. Ishitobi, D. Yasumatsu, S. Kawata

10:50—82. Interdependence of the nonlinear response mechanisms of pTS. S. R. Flom, J. R. Lindle, F. J. Bartoli, M. Liu, G. I. Stegeman

11:10—83. Optical anisotropic study of optically poled azobenzene polymers. N. Tsutsumi, M. Imamura, J. Yamamoto, W. Sakai

11:30—84. Nanocomposite derived from layered aluminosilicate intercalated with organic laser dye. D. W. Kim, A. Blumstein, M. Downey, J. Kumar, S. K. Tripathy


MONDAY AFTERNOON

Section A

JW Marriott Capitol Ballroom, Salon H-K

M Coatings for Transportation Aircraft and Anticorrosive Coatings

J. O. Stoffer, Presiding

1:30—Introductory Remarks. 1:35—85. Composite coatings based on hy

brid silicate and trivalent chromium conversion layers for aluminum alloy corrosion inhibition. T. L. Metroke, O. M. Ka-churina, E. Stesikova, E. T. Knobbe

2:00—86. Environmentally compliant aircraft coatings. J. O. Stoffer, T. J. O'Keefe, E. Morris, S. Hayes, P. Yu, M. Pittman

2:25—87. SNAP: Characterization of the solution chemistry and film performance of a silicon sol-gel surface treatment for AI 2024-T3. A. J. Vreugdenhil, V. N. Balby-shev, M. S. Donley

2:50—88. New waterbome electroactive polymers for coating applications. P. McCarthy, W. Li, S, C. Yang

3:15—89. Corrosion inhibition of intrinsically conductive polyani l ine on cerium conversion-coated aluminum alloy. J. O. Stoffer, M. Pittman, T. J. O'Keefe, E. Morris, J. Zhang

3:40—90. Sorption and diffusion of alkaline solution in organic coatings at ambient and elevated temperatures. T. Nguyen, J. W. Chin, D. Khaled Aouadi, D. Raghavan


• Fire and Polymers Fire-Retardant Systems II

C. A. Wilkie, Presiding 1:30—91. Zinc borates: Thirty years of suc

cessful development as multifunctional fire retardants. K. K. Shen

2:00—92. Thermal degradation and combustion mechanism of FR EVA. S. Bourbigot, F. Carpentier, M. Le Bras

2:30—93. Optimization of processing and molding parameters for fire-retardant, polymer-based formulations. L. Cartier, M. Le Bras, F. Poutch, R. Delobel

3:00—94. Aniline-derived highly brominated nitrogen flame retardants. B. A. Howell, H. Wu

3:30—95. Oxygenated hydrocarbon compounds as flame retardants for polyester fabric. K. Bisschoff, W. W. Focke

4:00—96. Fire-retardancy performance and thermal stability of materials coated by or-ganosilicon thin films using a cold remote plasma process. C. Jama, A. Quédé, M. Le Bras, R. Delobel, P. Goudmand, O. Dessaux, S. Bourbigot, J. W. Gilman, T. Kashiwagi

4:30—97. Recent Russian flammability research in polymeric materials. J. Koo, I. S. Reshetnikov, R. M. Aseeva, L. Pilato, S. Venumbaka

Section C

JW Marriott Commerce

Ν Tess Award Symposium on UV Degradation of Polymers Accelerated Tests II

R. F. Brady, Presiding 1:30—Introductory Remarks. 1:35—98. Design and evaluation of weather

ing tests including acid rain. M. Palm, B. Carlsson

2:05—99. Redefining accelerated weathering of automotive interior materials. J. H. Helms, M-F. Cheung, Τ. Ε. Godlewski

JULY 24, 2000 C&EN 1 3 3

PMSE/TECHNICAL PROGRAM

2:35—100. Proposed reference solar spectral power distributions for Miami and Phoenix from three years of measurements. H. K. Hardcastle III

3:05—101. Accelerated weathering tests for automotive paint systems: Case for distorted weathering chemistry. J. L. Ger-lock, C. A. Smith, J. T. Remillard

3:35—Award Presentation. 3:45—102. Award Address. Perspectives

on accelerated testing and the future of coatings research. D. R. Bauer


H Organic Thin Films for Photonic Applications Organic and Polymer Light-Emitting Diodes


W. Graupner, Presiding

1:30—103. Electrophosphorescent organic light-emitting diodes. M. E. Thompson, S. A. Lamansky, P. I. Djurovich, D. L. Murphy, F. Abdel-Razzaq, S. R. Forrest, M. A. Baldo, P. E. Burrows

2:00—104. Efficient light-emitting devices with polyfluorene emitting layer and thermally polymerized amine-containing hole transporting layer. X. Z. Jiang, S. Liu, H. Ma, L. X. Zheng, M. S. Liu, A. K-Y. Jen

2:20—105. Photoemission study of frontier orbital evolution as a function of conjugation length in oligothiophene derivatives. A. J. Màkinen, I. G. Hill, T. Noda, Y. Shi-rota, Ζ. Η. Kafafi

2:40—106. Multicolor emission and tunable electroluminescence from blends of conjugated polymers. K. Meeker, L. Lu, S. A. Jenekhe

3:00—Intermission. 3:20—107. Recent techniques in the fabrica

tion and optimization of organic light-emitting devices. G. E. Jabbour, D. Par-do, N. Peyghambarian

3:50—108. Charge transport heterocyclic liquid crystals for organic light-emitting-diode applications. R. J. Twieg, S. Gu, A. Se-myonov, L. Sukhomlinova, G. G. Malliar-as, R. Fan, K. D. Singer, O. Ostroverkho-va, I. Shiyanovskaya

4:10—109. High-resolution organic light-emitting-diode pixels fabricated by high-temperature microcontact printing. Y. Koide, T. J. Marks

4:30—110. Electrochemically synthesized MEH-PPV and the light-emitting-diode applications. X. Wang, R. V. Gregory

4:50—111. Molecular engineering for improving spectral stability and tuning electronic properties of blue electroluminescent polymers. W-L. Yu, W. Huang, B. Liu, Y-H. Lai


Sci-Mix L F. Charbonneau, P. Cebe, Organizers 8:00-10:00 80. See previous listing. 281, 205. See subsequent listings. 100. See previous listing. 176, 307, 304, 262, 209, 284, 211, 180, 200,

175, 317,193. See subsequent listings. 4, 53. See previous listings. 216, 235. See subsequent listings. 22. See previous listing. 191, 318, 177, 219, 220, 158, 174, 237,192,

187, 197, 228, 275, 126, 250. See subsequent listings.

88. See previous listing.

TUESDAY MORNING


M Coatings for Transportation Automotive Coatings: Processing and Materials

M. Nichols, Presiding 8:30—Introductory Remarks. 8:35—112. Electrodeposition modeling using

3-D boundary element methods. M. Mehta, J. Braslaw, A. Golovoy, N. Arnon

9:00—113. Weathering performance of ther-moset and photoset acrylate coatings. C. Decker, K. Zahouily, A. Valet

9:25—114. Fluid and particle mechanics of spray painting. N. Chigier

9:50—115. Approach to low-VOC paints and coatings for transportation applications. C. L Liotta, C. A. Eckert, H. A. Paris, Z. Liu, R. E. Schwerzel

10:15—116. New developments in two-component, waterborne, polyisocyanate-based coatings for automotive applications. R. R. Roesler, S. A. Grace

10:40—117. Nanosegmented, hydrophobic silicon oxide coatings for metal surfaces based on spherosiloxane clusters. Κ. Τ. Nicholson, K. Z. Zhang, M. Banaszak Holl

11:05—118. Coated polycarbonate windows: High performance and durability. K. Weiss, H. Mukamal, S. Gasworth, M. Peters, D. Kusuma

11:30—119. Mechanistic explorations of carbamate/MF chemistry: Anomalous reactivity behaviors. D. E. Rardon


• Fire and Polymers Fire Performance

U. Sorathia, Presiding 8:30—120. Fire performance of organic poly

mers, thermal decomposition, and chemical composition. Μ. Μ. Hirschler

9:00—121. Solid-state thermochemistry of flaming combustion. R. E. Lyon

9:30—122. Ignition and heat release parameters of engineering polymers. S. Gandhi, R. E. Lyon

10:00—123. Studies of chemical behavior in the different regions of polymer combustion and the influence of flame retardants thereon. D. Price

10:30—124. Molar group contributions to polymer flammability. R. N. Walters, R. E. Lyon

11:00—125. Combustion toxicity and chemo-metrics. E. Metcalfe, J. Tetteh

11:30—126. Effect of FR enclosures on the fire behavior of TV sets. M. Simonson

Section C JW Marriott Commerce

New Concepts in Polymeric Materials Mechanical Properties and Relaxation Phenomena

L. F. Charbonneau, Organizer P. Cebe, Presiding 8:30—Introductory Remarks. 8:35—127. Wide- and small-angle X-ray

scattering study of melting kinetics of iso-tactic polypropylene. P. S. Dai, P. Cebe, R. G. Alamo, M. Capel, L. Mandelkern

9:00—128. Development of polymorphism in uniaxial polybutylene terephthalate films. K. Song, J. L. White

9:25—129. Oriented crystallization of random copolymers. P. Susarla, U. S. Agar-wal, S. Michielsen, A. S. Abhiraman

9:50—Intermission. 10:05—130. Networked polymers with nega

tive Poisson's ratios. J. N. Grima, K. E. Evans

10:30—131. On the characterization of ETDR polyethylene-based sensors for stress-intensity monitoring. Μ. Β. Danjaji, A. O. Abatan, M. W. Lin

10:55—132. Structure-property relationships of substituted syndiotactic polystyrene copolymers. V. N. Moses, D. R. Dean, A. Ludwick, R. P. Quirk, K. Ok

11:20—133. Peak-fitting analysis of cellulose powder XRD spectra. R. Chen, D. W. Foreman, K. A. Jakes


Η Organic Thin Films for Photonic Applications Nonlinear Optics

Cosponsored with Optical Society of America and Division of Polymer Chemistry S. R. Marder, Presiding 8:30—134. Molecular considerations for opti

mizing the second-order nonlinear optical response in chiral media. K. D. Singer, V. Ostroverkhov, O. Ostroverkhova, R. G. Petschek, L. Sukhomlinova, R. J. Twieg, X-Y. Wang, L-C. Chien

9:00—135. Spontaneous formation of polar multilayer in complementary Η-bond systems. D. Li

9:20—136. In situ second harmonic generation measurements of the growth of nonlinear optical ionically self-assembled monolayers. C. Brands, P. J. Neyman, M. T. Guzy, S. Shah, H. Wang, H. W. Gibson, K. E. Van Cott, R. M. Davis, C. Figura, J. R. Heflin

9:40—137. Fabrication of optical thin-film chemical sensors employing electrostatic layer-by-layer self-assembly: Ferric ion sensor. S-H. Lee, K. G. Chittibabu, J. Kumar, S. K. Tripathy

10:00—Intermission. 10:20—138. Time-dependent and angular-

resolved, second-order, nonlinear light scattering in random media. K. Clays, S. Van Elshocht, A. Persoons

10:50—139. Nonlinear optical properties of a new, pure-liquid phthalocyanine. S. R. Flom, J. S. Shirk, R. G. S. Pong, A. W. Snow, Ε. Μ. Maya

11:10—140. Is there an upper limit to nonlinear susceptibilities? M. G. Kuzyk

11:30—141. Measurements of first hyperpo-larizability in the Kleinman-disallowed regime by means of hyper-Rayleigh scattering. V. Ostroverkhov, R. G. Petschek, K. D. Singer

11:50—142. Measurement of the first molecular hyperpolarizability of charge-transfer chromophores using hyper-Rayleigh scattering at multiple IR wavelengths. J. N. Woodford, C. H. Wang, C. Zhang, L. R. Dalton

TUESDAY AFTERNOON


H Coatings for Transportation Automotive Coatings: Properties/ Characterization

M. Nichols, Presiding 1:30—Introductory Remarks. 1:35—143. Photodegradation of polymeric

coatings studied by positron annihilation spectroscopy. Y. C. Jean, R. Zhang, H. Chen, P. Mallon, J. Zhang, Y. Li, C-M. Huang, T. C. Sandreczki, J. Richardson, R. Suzuki, T. Ohdaira, B. Nielsen

2:00—144. Characterization of polyester degradation using tapping mode atomic force microscopy. X. Gu, D. Raghavan, T. Nguyen, M. VanLandingham

2:25—145. Determination of radicals generated in illuminated pigment suspensions. S. Scierka, N. Blough


2:50—146. Noncontact optical characterization of thin-film coatings. J. A. Rogers, A. A. Maznev, K. A. Nelson

3:15—147. Physical analysis of gravelome-try. J. S. Meth

3:40—148. Characterization of coating microstructure using laser-scanning confocal microscopy. L-P. Sung, M. E. Nadal, P. Stutzman, M. E. McKnight

4:05—149. Stratification in polyurethanes: The effect of substrate morphology on cross-linking reactions: Surface depth profiling and IR imaging. Q. Han, M. W. Urban

4:30—150. Probing polyurethane coating by thermal and spectroscopic methods. N. R. Choudhury, M. Ginic-Markovic, J. G. Matisons


• Fire and Polymers Halogen Flame-Retardant Systems

G. Camino, Presiding 1:30—151. Review of synergists used with

halogen-flame retardants. R. L. Markezich

2:00—152. Interaction of antimony oxide with a chlorinated organic fire retardant in nylon-6,6. W. H. Starnes, Y. M. Kang, L. B. Payne

2:30—153. Solid-state 13C and in situ 1H NMR investigation of char formation in PVC and polychloroprene degradation. C. M. Dick, C. E. Snape, J. J. Liggat

3:00—154. New copper(l) complexes as potential smoke suppressants for polyvinyl chloride). R. D. Pike, W. H. Starnes, P. M. Graham, J. T. Maeyer, W. A. Gomaa, A. S. Doyal, E. R. Levy

3:30—155. Thermal degradation of polyvinyl chloride) in the presence of polystyrene. Q. Yao, C. A. Wilkie

4:00—156. Highly brominated aryl ether flame-retardant agents. B. A. Howell, W. Zeng, F. M. Uhl

4:30—157. Processing and thermooxidative aging of high-impact polystyrene-containing flame redardant. K. Môller, J. Lausmaa, A. Boldizar

Section C JW Marriott Commerce

New Concepts in Polymeric Materials New Materials and Processes

L. F. Charbonneau, Organizer A. Ludwick, Presiding

1:30—Introductory Remarks. 1:35—158. Plasma polymerization of thio-

phene derivatives. L. M. H. Groenewoud, G. H. M. Engbers, J. Feijen

2:00—159. Synthesis and characterization of novel fluorine and phosphine oxide-containing polyimides. T-H. Yoon, K. U. Jeong, B. Y. Myoung, J. J. Kim

2:25—160. Synthesis and characterization of block copolymer-CoFe204 nanoclusters: Parameters influencing the magnetic properties of the nanocomposite. S. R. Ahmed, P. Kofinas

2:50—Intermission. 3:05—161. Mechanical performance and

barrier properties of hydrophobic urethane elastomers. S. Ma, N. Beck Tan, D. M. Crawford, E. Napadensky, J. Sloan, S. Cooper

3:30—162. Formation, characterization, and molecular motions of poly(e-caprolactone) in its cyclodextrin inclusion compounds. J. Lu, P. A. Mirau, I. D. Shin, A. E. Tonelli

3:55—163. Influence of processing parameters on dynamic vulcanization. I. Pesneau, M. F. Champagne, M. A. Huneault

4:20—164. Plasma etching and plasma polymerization coating of steel tire cords. T-H. Yoon, H-M. Kang, S. Kaang

134 JULY'24, 2000 C&EN


M Organic Thin Films for Photonic Applications Polymer Optical Devices

Cosponsored with Optical Society of America and Division of Polymer Chemistry G. A. Lindsay, Presiding

1:30—165. Thermally actuated polymeric photonic componentry. L. Eldada

2:00—166. Optical waveguides and modulators based on low-loss, index-tunable EO polymers. P. R. Ashley, G. A. Lindsay, W. N. Herman, J. S. Cites

2:20—167. Highly efficient organic dye-doped graded-index polymer optical fiber lasers. K. Kuriki, T. Tamura, S. Nishihara, Y. Nishizawa, A. Tagaya, Y. Koike, Y. Okamoto

2:40—168. Temperature dependence of the threshold for laser emission in polymer mi-crolasers. G. Ramos-Ortiz, C. Spiegel-berg, N. Peyghambarian, B. Kippelen

3:00—Intermission. 3:20—169. Improved device performance of

[Ru(bpy)3](PF6)2 light-emitting devices. H. Rudmann, L. Kaplan, H. Sevian, M. F. Rubner

3:40—170. Erbium-doped polysilsesquiox-ane molecular composite systems. R. E. Taylor-Smith, Κ. Μ. Choi

4:00—171. Covalent self-assembly approach to improvement of interfacial organic light-emitting diode anode/hole transport layer contacts. J. Cui, Q. Wang, T. J. Marks

4:20—172. Morphology-dependent switching of polymer-stabilized cholesteric gratings. L-C. Chien, S. N. Lee, S. Sprunt

4:40—173. Carbazole-based methacrylates and dimethacrylates. J. E. McGrath, L. Rasmussen, H. Shobha, M. Sankarapan-dian, K. E. Uhrich

• Envirocompatible Syntheses and Processes: Targeting Sustainability cosponsored with Division of Polymer Chemistry (see page 129)


Joint PMSE/POLY Poster Session L. F. Charbonneau, R. A. Dickie, A. Guiseppi-Elie, R. Heflin, A. K-Y. Jen, Organizers C. A. Wilkie, Presiding 6:00-8:00

New Concepts in Polymeric Materials

174. Polycaprolactone as compatibilizer for polyblends of bisphenol polycarbonate with styrene-acrylonitrile copolymer. R. D. Deanin, T. Vale

175. Complexation between hydrogensulfat-ed fullerenol and poly[2-(dimethylamino)-ethyl methacrylatej. X. D. Huang, S. H. Goh, S. Y. Lee

176. QUV accelerated weathering of PVC capstock formulations: A FTIR microspec-troscopy mapping study. D. Garcia, J. Black

A Catalysis • Chemistry & Computers • Federal & Private Sector



Sciences • Science & Intellectual

Policies

177. New insight into origin of multiple melting peaks of poly(ethylene terephthalate) by modulated DSC and FTIR analysis. Y. Wang, J. Lu, D. Shen

178. 1-D and 2-D electron spin resonance imaging of HAS-derived nitroxides in ABS copolymers: Effect of irradiation wavelength. M. V. Motyakin, S. Schlick

179. Conformational dynamics of chymotryp-sin inhibitor 2 in free and complex forms. N. Kurt, T. Haliloglu

180. Anchoring effect of silane coupling agents with a variable alkyl chain length on surface of magnetic particle. T. Woo, J-Y. Huh, D. E. Nikles

181. Physical properties of highly oriented polyvinyl alcohol fiber. B. C. Kim, S. G. Kim, D. W. Chae, H. G. Chae

182. Semifluorinated epoxy thermoplastics containing the α-methyl stilbene linkage. E. J. Nelson, S. H. Foulger, D. W. Smith Jr.

183. Synthesis of organotin-containing polymers derived from the synthetic amino acids p-aminobenzoic acid and ampicillin. C. E. Carraher Jr., F. Li

184. Structural identification of the organotin polymers derived from />aminobenzoic acid and ampicillin. C. E. Carraher Jr., F. Li

185. Synthesis and structural characterization of poly(3,4-dicyanophenoxyethylene) and 4-hexadecanyloxyphthalonitrile. D. M. Baird, Y. Jiang, C. E. Carraher Jr.

186. Surface modification of silica fillers formed in situ for the reinforcement of polydimethylsiloxane networks. B. T. Vu, J. E. Mark, D. W. Schaefer

187. Surface treatment of magnetic particles for solventless, electron-beam-cured acry-late formulation for magnetic tape manufacture. J-Y. Huh, T. Woo, S. Hait, D. E. Nikles

188. Synthesis and characterization of ep-oxynorbornane linseed oil using hydrogen peroxide. J. Chen, M. D. Soucek

189. Preparation of polypropylene-clay intercalation composites modified with polyethylene glycol. S. Lee, J. S. Park, H. Lee

190. Coarse-grained simulations on the stability of thin films. P. Doruker, W. L. Mattice

191. Linear and star-branched polybutadi-ene-blend networks: Curing, swelling, and dynamic mechanical behavior. H. Konyaly, Ϋ. Bahar, N. Nugay

192. Surface-modified polyvinyl alcohol membranes for water/ethanol separation via pervaporation. T. Nugay, P. Akçora, Ο. Hortaçsu

193. Effect of surface of hybrid filler systems on curing characteristics of polyesters. S. Sen, N. Nugay

194. Diffusion of alcohols through sulfonated PS/PIB/PS block copolymers using FTIR-ATR. E. G. Napadensky, J. M. Sloan, N. Beck Tan, D. M. Crawford, D. A. Mountz, K. A. Mauritz

195. Surface and interface behavior of semifluorinated liquid-crystalline block copolymers. X. Li, M. Xiang, C. K. Ober, E. Siva-niah, E. J. Kramer, J. Genzer, D. Fisher

196. Stable free-radical polymerization of liquid-crystalline monomers: Effect of pre-ordering. P. Gopalan, X. Li, C. K. Ober, C. J. Hawker

197. Sustained release implants of triamcinolone acetonide for use in rat models of experimental uveitis and neovascularization. P. Yuan, B. A. King, M. P. Miller, M. R. Robinson, G. J. Grimes, C. E. Daniels, G. K. Potti

198. Synthesis of poly(cinnam-4'-yl methyl methacrylate) derivatives and their thermal stability as LCD photoalignment layer. J. Lee, H. Kim, H. Kim

199. Investigation on the copolymerization behavior of oc-trifluoromethyl vinylacetate. D. Schmaljohann, C. K. Ober

200. Band shifts in the dynamic IR spectra of oriented isotactic polypropylene. S. Frisk, R. M. Ikeda, J. F. Rabolt, D. B. Chase

201. Dendrimers as stationary phases in capillary electrochromatography. H. Chao, J. E. Hanson

202. Real-time mid-IR monitoring of metathesis polymerizations. M. Hoffman, J. E. Puskas, K. Weiss

203. Quantitative relationships between parameters of thermal degradation of plasti-cized polyvinyl chloride and halochrom-ism. S. R. Deshmukh, F. Lai

204. Photosensitized reaction of polymer films caused by electron transfer. W. Sa-kai, N. Tsutsumi

205. Porous, thermoresponsive hydrogels: Theory and applications. S. Rajagopalan, X. X. Zhu

206. Transgenic plants: A new source of biodegradable plastics. B-H. Zhang

207. Propylene polymerization with half-titanocene/MAO catalyst: Synthesis of high molecular weight atactic polypropylene. Q. Wu, B. Xie, J. He

H Materials for Transportation

208. New sulfonimide acid-containing per-fluorocyclobutane aromatic polyethers for potential use in fuel cell applications. L. A. Ford, D. W. Smith Jr., D. D. DesMarteau

Organic Thin Films for Photonic Applications

209. Polymeric thin-film thermooptic beam deflector. X. Han, B. Li, J. Ni, S. Tang

210. Compact EO polymer vibration sensor utilizing ridge and slab-mode waveguides. A. Yacoubian, W. Lin, D. Olson, J. Bechtel

211. Adsorption and X-ray-induced polymerization of condensed 3-hexylthiophene on polycrystalline aluminum. J. E. Hernandez, J. E. Whitten

212. Derivatization of high and low molecular weight polyepichlorohydrins with stilbazoli-um side-chain chromophores for alternating polyelectrolyte deposition. G. A. Lindsay, P. Zarras, R. A. Hollins, A. P. Chafin, S. Fallis, L. H. Merwin, M. J. Roberts, K. J. Wynne

213. Dual-use chromophores for photorefractive and irreversible photochromic applications. R. Ayachitula, K. D. Harris, S. J. Strutz, L. M. Hayden, R. J. Twieg

214. Electroluminescent block copolymers: Synthesis and optical properties. A. M. Sarker, E. E. Gurel, M. Zheng, P. M. Lah-ti, F. E. Karasz

215. Fabrication of optical thin-film chemical sensors employing electrostatic layer-by-layer self-assembly: pH sensor. S-H. Lee, K. G. Chittibabu, J. Kim, J. Kumar, S. K. Tripathy

216. Femtosecond pulse generation in sandwichlike organic thin film structures with nonlinear and dispersion management. V. M. Chapela, J. Percino, V. N. Serkin

217. Molecular organic light-emitting devices utilizing end-capped oligothiophene oligo-heterocycles as light-emission centers. G. Kushto, U. Mitschke, P. Bàuerle, Z. Kafafi

218. New NLO chromophores based on 2-amino-1,1,3-tricyano-1 -propene acceptor. G. K. Todorova, J. Chen, L. R. Dalton

219. New o- and p-methacryloylamino-phenylarsonic monomers for second-order, nonlinear optical materials. J. Percino, V. M. Chapela, R. Ortega-Martinez, A. Rodriguez

220. Novel deposition techniques for self-assembled, nonlinear optic thin films. M. T. Guzy, S. Shah, R. M. Davis, Κ. Ε. Van Cott, J. R. Heflin, H. Wang, H. W. Gibson

221. Novel second-order, nonlinear optical material with amphiphilic side chains. G. Liu, G. L. Baker

222. Photohole generation in calamitic liquid-crystalline photoconductor, 2-phenylnaph-thalene derivatives. H. Zhang, J-l. Hanna

223. Optical, electrochemical, and thermal properties in light-emitting polymers. M. Zheng, A. M. Sarker, E. E. Gurel, P. M. Lahti, F. E. Karasz

224. Direct and sensitized photolysis of phosphine oxide photoinitiators in the presence and in the absence of acrylate: Time-resolved EPR, cure monitor, and photoDSC study. R. M. Williams, I. V. Khudyakov, M. B. Purvis, B. J. Overton, N. J. Turro


225. Organic electroluminescent device based on phenanthrene-containing europium complex. D. Huang, X. Jiang, G. D. Phelan, T. M. Londergan, A. K-Y. Jen, L. R. Dalton

226. Some peculiarities of a new photochromic compound for use in holography without preliminary UV-irradiation. I. Cha-purin, S. Robu, L. Vlad, C. Lafond, A. Tork, R. A. Lessard

227. Stable and efficient organic light-emitting devices with saturated red emission. L. C. Picciolo, H. Murata, Z. H. Kafafi

228. Synthesis and characterization of new chiral monomers that can be used in the design of nonlinear optical polymers. J. Percino, V. M. Chapela, A. Sosa, R. Ortega-Martinez, A. A. Rodriguez

229. Synthesis and characterization of aniline derivatives, modified 8-hydroxylquin-oline ligands, and their metal complexes. S. Cheng, S. Li, A. W. Addison, F. Papa-dimitrakopoulos, B. Hsieh, Y. Wei

230. Synthesis and nonlinear optical properties of a new syndioregic, main-chain hy-drazone polymer. G. A. Lindsay, A. P. Chafin, L. M. Hayden, W-K. Kim

231. New rodlike polymers with side groups and their applications in aligning liquid crystals. M. Ree, S. W. Lee, S. I. Kim, K. H. Lee, J. C. Jung

232. Thermal stabilization and destabilization of poly(methyl methacrylate) in thin films. F. Rodriguez, A. Nady

• Fire and Polymers

233. Cone calorimeter experiments with flame-retardant halogen-free cables. G. Beyer, H. Breulet, S. Desmet

234. Flame-retardant properties of novolac phenolic/bisoxazoline amended with an epoxy-terminated siloxane and clay nano-composite. A. Dekar, H. Stretz, J. Koo

235. Flame-retardant waterborne polyure-thane coatings using halogenated polyester polyols. Y-K. Lee, S-Y. Cho, H-S. Park, J-P. Wu

236. Metal-catalyzed, intumescent flame-retardant systems. F. J. W. J. Labus-chagné, W. W. Focke, C. A. Strydom

237. Preparation and physical properties of polyurethane flame-retardant coatings using pyrophosphoric lactone-modified polyesters/IPDI-isocyanurate. Y-H. Choi, D-W. Kim, W-B. Im, J-P. Wu, H-S. Park

238. Use of carbonizing polymers as additives in intumescent polymer blends: A review. M. Le Bras, S. Bourbigot

M Transducer-Active Polymers: Responsive Materials in Chemical and Biological Sensors, Actuators, and Controlled Release

239. Exploitation of a novel artificial muscle for controlled drug delivery. M. J. Madou, K. He

240. Elaboration of conducting polymer nanostructures: Applications as responsive materials in gas sensors and biosensors. S. M. Demoustier-Champagne, P-Y. Stavaux, M. Delvaux

241. Electroresponsive phosphate cellulose suspensions. H. J. Choi, S. G. Kim, J. W. Kim, M. S. Jhon

242. One-step direct immobilization of acid phosphatase in mesoporous silica sol-gel materials. Q. Feng, J. Xu, M. Lin, H. Dong, Y.Wei

243. Simultaneous immobilization of oxidase/ peroxidase in the mesoporous sol-gel silicate matrix. H. Dong, J. Xu, Q. Feng, Y. Wei

JULY 24, 2000 C&EN 1 3 5

PMSE/PROF/SCHB/TECHNICAL PROGRAM

WEDNESDAY MORNING

Section A

JW Marriott Capitol Ballroom, Salon H-K

M Coatings for Transportation Marine Coatings

R. F. Brady, Presiding

8:30—Introductory Remarks. 8:35—244. Release-rate determination and

interpretation for copper antifouling coatings. E. G. Haslbeck, A. Valkirs, P. Selig-man, A. Zirino, I. Rivera, J. Caso, E. Chen, J. Montemarano

9:00—245. Fracture mechanics of fouling release from nontoxic antifouling coatings. R. F. Brady Jr.

9:25—246. Journey to zero-VOC coatings. D. B. Dahm

9:50—247. Low-solar-absorbance coatings. R. F. Brady Jr., A. A. Webb

10:15—248. Natural product biofouling control: Practical considerations in the formulation of workable coatings based on entrapment and release from microtubules. R. R. Price, R. F. Brady Jr.

10:40—249. Assessment of hydrolyzable acrylic polymers aimed at antifouling paints. M. Thouvenin, K. Vallee-Rehel, J-J.-Peron, V. Langlois, P. Guérin

11:05—250. New urethanes as potential corrosion-preventing primers for iron. H. Bie, M. Han, Y. Hu, R. Sharma, G. W. Warren, D. E. Nikles


M Transducer-Active Polymers: Responsive Materials in Chemical and Biological Sensors, Actuators, and Controlled Release Controlled Release

A. Guiseppi-Elie, G. E. Wnek, N. F. Sheppard Jr., Organizers N. F. Sheppard Jr., Presiding 8:30—Introductory Remarks. 8:40—251. Molecular dynamics of pH-

sensitive hydrogels based on poly(acrylic acid). P. Bures, N. A. Peppas

9:10—252. Electrorelease of divalent cations from electroconductive hydrogels. E. Iwuoha, A. M. Wilson, D. Narinesingh, A. Guiseppi-Elie

9:35—253. Synthetic peptide/poly(ethylene oxide)/poly(pyrrole) macromolecular complexes: Responsive systems for peptide drug delivery. S. Thorpe, K. P. Pemawan-sa, I. M. Khan

10:00—Intermission. 10:15—254. Nanoporous polymers for con

trolled absorption and release of organic molecules. D. Li

10:40—255. Electroactive hydrogels for the construction of clinically important biosensors. S. Brahim, D. Narinesingh, A. Guiseppi-Elie

11:05—256. Volume transition of polyacry-late hydrogels induced by monovalent-divalent cation exchange in physiological salt solutions. F. Horkay, I. Tasaki, P. J. Basser

Section C JW Marriott Grand Ballroom, Salon III

H Organic Thin Films for Photonic Applications Organic Photovoltaics and Transistors

Cosponsored with Optical Society of America and Division of Polymer Chemistry A. K-Y. Jen, Presiding 8:30—257. Photovoltaic devices: Role of in

terfaces. G. Hadziioannou 9:00—258. Efficient charge generation in

conjugated molecules. W. Graupner, T. Piok, C. Brand, P. J. Neyman, A. Erlacher, C. Soman, M. A. Murray, R. Schroeder, J. R. Heflin, D. Marciu, A. Drake, M. B. Miller, H. Wang, H. W. Gibson, H. C. Dorn, G. Leising, M. Guzy, R. M. Davis

9:30—259. LB films with amphiphilic fullerene derivatives for photovoltaic application. J-L. Gallani, J-F. Nierengarten, J-F. Nicoud, J-F. Eckert, D. Felder, P. Carreon, D. Guillon

10:00—260. Imaging local photocurrents in organic semiconductors. D. Fichou, F. Charra, A. Gusev

10:20—Intermission. 10:40—261. Molecular ordering through mo

lecular design and surface modification and their electrical and optical devices. Z. Bao, X. L. Chen, A. Lovinger, J. Sapjeta, R. Jakubiak, L. Rothberg

11:10—262. α,ω-Diperfluorohexylsexithio-phene: Synthesis, characterization, and thin-film properties of the first η-type sexi-thiophene for thin-film transistors. A. Fac-chetti, A. Wang, T. J. Marks, H. Sir-ringhaus, Y. Deng, R. H. Friend

11:30—263. Ambipolar carrier transport in self-organizing terthiophene molecular semiconductors. M. Funahashi, J-I. Han-na

11:50—264. Morphology and charge transport in a phenylene vinylene oligomer. D. Tsamouras, W. Geens, P. F. van Hutten, J. Poortmans, G. Hadziioannou

• Enviro-Compatible Syntheses and Processes: Targeting Sustainability cosponsored with Division of Polymer Chemistry (see page 130)

WEDNESDAY AFTERNOON


2000 Unilever Award for Outstanding Graduate Research Honoring X. Linda Chen W. Ford, Organizer, Presiding 1:30—265. Nature as a model for the elabo

ration of new concepts in polymer science. V. Percec

2:05—266. Layer-by-layer molecular-level blending of oppositely charged polyelec-trolytes. M. Rubner

2:40—267. Design and assembly of nano-structured electro-optic polymers. L. R. Dalton

3:15—268. Self-assembly of functional me-sostructures and discrete objects from synthetic polymers. S. A. Jenekhe, X. L. Chen

3:50—Award Presentation. 3:55—269. Award Address. Electroactive

and photoactive supramolecular polymer systems. X. L. Chen, S. A. Jenekhe


M Transducer-Active Polymers: Responsive Materials in Chemical and Biological Sensors, Actuators, and Controlled Release Synthesis and Characterization

G. Tepper, Presiding 1:30—Introductory Remarks. 1:40—270. Artificial muscle systems for bio

medical applications. T. A. Zawodzinski Jr., M. Mann, P. Haridoss, S. Paddison

2:10—271. Dimensional changes as a function of charge transfer in doped trans-polyacetylene: A density functional study. G. Sun, M. Kertesz, J. Kurti, R. H. Baugh-man

2:35—272. Mechanical responses approaching stress, strain, and time-scale properties of muscle using anisotropic liquid-crystalline elastomers. D. L. Thomsen III, P. Keller, R. Pink, J. Naciri, D. Shenoy, B. R. Ratna


3:15—273. Toward new actuating devices: Synthesis and electrochemical studies of poly(11,23-bis([2,2'-bithiophen]-5-yl)-26,28-dimethoxycalix[4]arene-25,27-diol). H-H. Yu, A. E. Pullen, B. Xu, T. M. Swager

3:40—274. Morphology and ordering behavior study of a novel organometallic diblock copolymer: Polyisoprene-/>polyferrocenyl-dimethylsilane. Z. Chen, N. Vaidya, T-H. Cheong, M. D. Foster, R. P. Quirk

4:05—275. Synthesis of highly sensitive, fluorescent polymer chemosensors for transition metals. Y. Zhang, C. B. Murphy, S. Chatterjee, W. E. Jones Jr.

4:30—276. Controlling conjugated polymer photophysics: Role of interchain spacing within 2-D assemblies. D. T. McQuade, J. Kim, T. M. Swager

Section C JW Marriott Grand Ballroom, Salon III

New Concepts in Polymeric Materials Materials for Information Storage

A. B. Scranton, Presiding 1:30—Introductory Remarks. 1:35—277. Fluorinated polyvinylalcohols as

a photoresist platform for 157-nm lithography. D. Schmaljohann, A. H. Hamad, G. L. Weibel, C. K. Ober

2:00—278. Synthesis and characterization of ZnO nanoparticles within diblock copolymer templates. R. F. Mulligan, A. A. Ilia-dis, P. Kofinas

2:25—279. Environment-friendly and switch-able polymer brushes. S. Minko, A. Si-dorenko, E. Goreshnik, D. Usov, M. Stamm

2:50—Intermission. 3:05—280. Polymer-nanostructured materi

als prepared using a core-shell approach. O. Kalinina, E. Kumacheva, B. Siwick, R. J. D. Miller

3:30—281. Photochemical immobilization of polymer thin films on solid substrates. M. A. Bartlett, M. Yan

3:55—282. Effect of polysi loxane-polycarbonate copolymer on the surface friction of the film. S. Kato, A. Toriumi, I. Ogawa, M. Kawai, M. Nozomi



THURSDAY MORNING

Section A JW Marriott Grand Ballroom, Salon III

ICI Student Award E. Reichmanis, Organizer, Presiding 8:30—Introductory Remarks. 8:45—283. Role of melt dynamics in the

crystallization of isotactic polypropylene. G. Kumaraswamy, J. A. Komfield, F. Yeh, B. S. Hsiao

9:15—284. ABC block copolymer nanosphere-supported palladium catalysts for alkene hydrogénation. R. S. Underhill, G.Liu

9:45—285. Poly(ferrocenylsilanes) at the interface of chemistry, materials science, and nanotechnology. R. G. H. Lam-mertink, M. A. Hempenius, G. J. Vancso

10:15—286. Fully functionalized photorefractive polymers incorporating transition metal complexes as photosensitizers. Q. Wang, L. Yu

10:45—287. Synthesis and characterization of a controlled thermally degradable epoxy resin system for electronic packaging. H. Li, L. Wang, K. I. Jacob, C. P. Wong

11:15—288. Photocurable polyanhydrides engineered for orthopedic applications. A. K. Burkoth, K. S. Anseth



Η Transducer-Active Polymers: Responsive Materials in Chemical and Biological Sensors, Actuators, and Controlled Release New Materials and Processes

G. E. Wnek, Presiding 8:30—Introductory Remarks. 8:40—289. Transducer-active thin films by

electrostatic layer-by-layer self-assembly. S. K. Tripathy, S-H. Lee, J. Kumar, J. Kim, R. Nagarajan, L. A. Samuelson

9:10—290. Environmentally responsive polymer brush layers for switchable surface properties. S. Minko, M. Stamm, E. Horeshnik, D. Usov, A. Sidorenko

9:35—291. Vapor-sorption mechanisms in plasma polymerized thin-film sensor materials. D. H. Weinkauf, S. P. Russell

10:00—Intermission. 10:15—292. New polymeric composite

based on ordered macroporous silica coated with polyaniline. L. Chigirinskaya, K. Levon

10:40—293. Chemically sensitive nanoparticles developed from rapid expansion of supercritical solutions. D. Pestov, N. Levit, D. Colby, G. Tepper

11:05—294. Synthesis of conductive elasto-meric foams using supercritical carbon dioxide: The effect of ethanol cosolvent on the impregnation of the foam with oxidant. S. L. Shenoy, I. Kaya, D. Cohen, C. Er-key, R. A. Weiss

11:30—295. Polyaniline-based electrorheo-logical fluid for semiactive damper. H. J. Choi, J. W. Kim, H. G. Lee, S. B. Choi

Section C JW Marriott Capitol Ballroom, Salon H-K

New Concepts in Polymeric Materials Blends and Multicomponent Systems

D. E. Nikles, Presiding 8:30—Introductory Remarks. 8:35—296. Polyethylene crystal orientation

induced by nanoscale cylinders. Y-L. Loo, R. A. Register, D. H. Adamson

9:00—297. Thermodynamics of phase separations in hydrogen-bonded polymer solutions: LCST systems. N. Variankaval, M. E. Rezac, A. Abhiraman

9:25—298. Physical aging in a miscible PS/ PPO blend and PS: Volume recovery measurements. B. A. Liburd, R. S. Duran

9:50—Intermission. 10:05—299. Molecular basis of fracture stud

ies of latex blends of polystyrene and poly-(methyl methacrylate). S. D. Kim, A. Klein, L. H. Sperling

10:30—300. Solid-state blending and com-patibilization of polymers via cryogenic mechanical alloying. A. P. Smith, H. Ade, C. C. Koch, R. J. Spontak

10:55—301. Polypropylene/polyamide 6,6 blends: Reactive compatibilization with maleated polypropylene as compared to the addition of polypropylene-polyamide 6,6 copolymer addition. M. F. Champagne, A. Helmert, M. M. Dumoulin

11:20—302. Miscibility of polycarbonates with copolymers containing cyclohexyl-methacrylate. J-H. Kim, H-K. Choi, C-K. Kim


136 JULY 24, 2000 C&EN

THURSDAY AFTERNOON

Section A JW Marriott Grand Ballroom, Salon III

New Concepts in Polymeric Materials

Biorelated Composites and Membranes

L. Zhang, Presiding

1:00—Introductory Remarks. 1:05—303. Preparation and characterization

of chitosan/poly(vinyl alcohol) blend fibers. Y. Du, H. Zheng, J. Yu, R. Huang

1:30—304. Solubility of cellulose in NaOH/ urea aqueous solution and preparation of new regenerated cellulose membrane. L. Zhang, J. Zhou

1:55—305. Morphology of novel triblock copolymer for membrane applications. D. Crawford, N. Beck Tan, J. Sloan, E. G. Napadensky, D. Mountz, K. A. Mauritz, K. Laverdure, G. Samuel, W. Liu, B. S. Hsiao

2:20—Intermission. 2:35—306. Properties and interfacial bond

ing for regenerated cellulose-polyure-thane/amylose SIPN composite films. Y. Du, J. Yu, H. Zheng, F. Cheng

3:00—307. Semiinterpenetrating polymer networks from castor oil-based polyure-thane and nitro-Konjac glucomannan. L. Zhang, S. Gao

3:25—308. Shape adaptability of nanoparti-cles having core-shell morphology consisting of fluid core domains. K. Shanmuga-nanda Murthy, Q. Ma, T. Kowalewski, K. L. Wooley

3:50—309. Effect of starch granule size on the viscosity of starch-filled poly(hydroxy ester ether) biodegradable composites. G. Zhou, J. L. Willett, C. J. Carrière, Y. V. Wu


M Transducer-Active Polymers: Responsive Materials in Chemical and Biological Sensors, Actuators, and Controlled Release DNA-Based Genosensors

A. Guiseppi-Elie, Presiding 1:30—Introductory Remarks. 1:40—310. Polyaniline-based chemical

transducers with submicron dimensions. A. G. MacDiarmid, I. D. Norris, W. E. Jones Jr., M. A. El-Sherif, J. Yuan, B. Han, F. K. Ko

2:10—311. DNA conformation switching using a templated conducting polymer. R. Nagarajan, S. K. Tripathy, J. Kumar, F. F. Bruno, L. Samuelson

2:35—312. DNA-doped polypyrrole: Synthesis and application. V. Misoska, W. E. Price, S. F. Ralph, G. G. Wallace, N. Ogata

3:00—Intermission. 3:15—313. Low-density arrays of DNA-

doped polypyrrole. M. Gheorghe, C. Lei, A. Guiseppi-Elie

3:40—314. DNA immobilization and bioelec-tronic detection based on conducting polymers. C. Lei, M. Gheorghe, A. Guiseppi-Elie

A Catalysis



• Environmental


Sciences


Section C JW Marriott Capitol Ballroom, Salon H-K

New Concepts in Polymeric Materials Films, Fibers, and Surfaces

L. F. Charbonneau, Presiding 1:00—Introductory Remarks. 1:05—315. Origin of directional tear in blown

films of ethylene copolymers. L-B. W. Lee, R. A. Register, D. M. Dean

1:25—316. Morphological characterization of symmetric diblock copolymers via novel combinatorial methods. A. P. Smith, J. C. Meredith, E. J. Amis, A. Karim

1:45—317. Controlled fabrication of nanopo-rous membrane using β-ray irradiation. T. Hiraoka, K. Asakawa

2:05—Intermission. 2:20—318. Molecular characterization of

polyamide fibers by FTIR spectroscopy. N. Vasanthan, D. R. Salem

2:40—319. Synthesis, characterization, and application of blown oil for ceramer coatings. G. Teng, M. D. Soucek

3:00—320. Instability of polymeric films in roll-coating processes. H. S. Jeon

3:20—321. Effects of polyvinyl acetate) and vinyl chloride/vinyl acetate copolymer-based low-profile additives on the volume shrinkage characteristics and internal pig-mentability for low-shrink unsaturated polyester resins. Y-J. Huang, T-S. Chen, J-G. Huang, F-H. Lee


PROF

DIVISION OF PROFESSIONAL RELATIONS T. J. Kucera, Program Chair

SOCIAL EVENT: Reception, Mon

MONDAY MORNING Lifetimes in Chemistry: Issues and Results from the Mature Career Chemist Survey cosponsored with Committee on Economic & Professional Affairs (see page 58)


Employment Agreements: Boon or Bane? Cosponsored with Committee on Economic & Professional Affairs and Chemical Society of Washington D. Chamot, Organizer, Presiding 2:00—1. Employment agreements from an

ACS member's perspective. D. Chamot 2:10—2. Employment agreements from an

attorney's perspective. M. G. Farber 2:20—3. Employment agreements from a

university professor's perspective. D. J. Chesney

2:30—4. Employment agreements from a senior manager's perspective. B. Laguzza

2:40—5. Employment agreements from a union official's perspective. G. J. June-mann

2:50—Panel Discussion. 4:20—Concluding Remarks.


Sci-Mix J. K. Borchardt, Presiding 8:00-10:00 6. Career survival strategies in a new de

cade. J. K. Borchardt 7. Chemistry in electronics: A nontraditional

career. M. J. Brownfield 8. Data mining a chemistry career. M. W.

Jordan 9. What will the chemistry professional of to

morrow be expected to do? R. H. Rich, M. W. Jordan

TUESDAY MORNING Renaissance Washington Room 12-14

Role of the National Science Foundation in Educating Professional Chemists Cosponsored with Division of the History of Chemistry and Younger Chemists Committee E. A. Nalley, Organizer, Presiding 8:55—Introductory Remarks. 9:00—10. Chemistry: Present at the creation.

J. Osteryoung 9:30—11. NSF's education programming:

Past, present, and future. N. L. Forten-berry

10:00—12. From URP to REU: Four decades of educating undergraduates in research. B. Schowen

10:30—Intermission. 10:40—13. Example of a research program

supported by NSF. D. J. Nelson 11:10—14. Experimental program to stimu

late competitive research (EPSCoR). J. B. Hoehn

TUESDAY AFTERNOON Renaissance Washington Room 12-14

Role of the National Science Foundation in Educating Professional Chemists Cosponsored with Division of the History of Chemistry and Younger Chemists Committee G. B. Borowitz, Presiding 1:15—Introductory Remarks. 1:20—15. Planting the seed for future gener

ations: The role of the National Science Foundation in educating preservice teachers. R. E. Howard

1:50—16. Chemical Instrumentation Program at the National Science Foundation. J. M. Frye

2:20—17. National Science Foundation's response to Sputnik. E. A. Nalley

2:50—Intermission. 3:00—18. NSF and ACS: Partners in educa

tional progress. S. A. Ware 3:30—19. Community colleges and NSF: An

early support plan. J. M. Hayes 4:00—20. How NSF has influenced my pro

fessional career. M. E. Derrick


SCHB

DIVISION OF SMALL CHEMICAL BUSINESSES L. Bergman, Program Chair

SOCIAL EVENT: Reception, Tue BUSINESS MEETINGS: Sun

TUESDAY MORNING Renaissance Washington Room 10-11

True Stories of (Women in) Small Chemical Businesses Cosponsored with Women Chemists Committee S. V. Vercellotti, P. J. Bonk, Organizers P. J. Bonk, Presiding 9:00—Introductory Remarks. 9:10—1. Risk takers: Women in small chem

ical businesses. S. V. Vercellotti 9:30—2. Maximizing the return from intellec

tual property. G. M. Julian-Arnold 9:50—3. From the environmental lab to a

successful consulting firm. R. A. Hathaway

10:10—Intermission. 10:20—4. Freelancing as a scientist/writer.

A. K. Taylor 10:40—5. Success story: Cole Chemical &

Distributing Inc. D. F. Cole 11:00—6. Endless career opportunities. D.

Brezinski 11:20—Concluding Remarks.

TUESDAY AFTERNOON Renaissance Washington Room 10-11

True Stories of (Women in) Small Chemical Businesses Cosponsored with Women Chemists Committee P. J. Bonk, Presiding 1:30—Introductory Remarks. 1:35—7. Arqule. S. DeWitt 1:55—8. Technically Inc.: A career in custom

chemical manufacturing. D. J. Saez 2:15—9. Applications of food chemistry. S. J.

Risch 2:35—Intermission. 2:50—10. Development and growth of a

small business: The role of a professor. L. M. Vallarino

3:10—11. Making technology a market success. A. Comer

3:30—12. American Research and Testing: Our story. R. R. Boggs

3:50—Discussion. 4:10—Concluding Remarks.

JULY 24, 2000 C&EN 137

final program

Documents

Transcript of final program