St. Louis Section
of the American Chemical Society

2002 Full Year Calendar

January 8 6:30 - 8:30 p.m. Kids & Chemistry (200)
Bristol Elementary Science Night (Webster Groves).
10 Board Meeting at UMSL Alumni Center
Minutes of the Meeting
19-21 Minority Scientist Showcase (850)
St. Louis Science Center, May Exhibition Hall, 11 AM to 5 PM
Celebrating the contributions made by minorities to the sciences.
Display booth with biographies of minority scientists, passed out WonderScience and ChemMatters.
Program (front back) Advertisement
Photos (click to enlarge):

25 Kids and Chemistry (30)
Heat, Light, and Chemistry at Clark Elementary
Investment committee report due to Board *
February 1 Applications for Project SEED Due
Providing summer science internships for high school students
1 Midwest Mass Spectrometry Discussion Group Meeting (35)
Dr. Neil Kelleher, University of Illinois at Urbana-Champaign
"Automated Identification of Intact Proteins Using ESI/FTMS/MS"
Sigma Aldrich Life Science and High Technology Center
5 Kids and Chemistry(47)
Heat and Light in Chemistry
Clark Elementary 4th grade
6 Selvidge Middle School (9+)
Science Fair Judges
12 Kids and Chemistry (50)
Solution Surprises and Goofy Glowing Gel
Clark Elementary School

Click on any photo for larger version

14 Board Meeting at UMSL Alumni Center
Minutes of the Meeting
14-16 Sponsored 2 attendees to the Teacher, Industry, and Education (TIE) Workshop

The TIE Workshop is a unique learning experience for Missouri's teachers. The Workshop's mission is to exhange ideas and information on environmental issues among educators, the chemical industry, and the Missouri Department of Natural Resources. The Workshop also includes a Legislative Reception, where teachers and sponsors can establish or maintain relationships with Missouri's legislators.

Report from one attendee

14-16 FutureTrek (200)
Presented introduction to periodic table and career as a chemist
18 Undergraduate Research Symposium (80)
Morris University Center, Southern Illinois University Edwardsville
13 posters and 1 presentation from 6 local universities
18 NMR Discussion Group Meeting (27)
"Structural Characterization of Solids by Dipole Recoupling NMR"
Professor Terry Gullion, Department of Chemistry, Mississippi State University
20 Computational Chemistry Discussion Group Meeting (9)
" Melting points, what are they and can they be modeled?"
Prof. James S. Chickos, Department of Chemistry & Biochemistry, University of Missouri-Saint Louis.
ABSTRACT: Melting points are among one of the first properties to be measured when characterizing a new material. Yet despite the fact that this property has been measured for well over a hundred years, there are not any successful ways of predicting it. Additionally, one may ask about the factors that influence the magnitude of this property. Is it a measure of the strength of the intermolecular forces in the crystal? Some evidence will be presented that this is not necessarily the case. The melting behavior of a homologous series will be described in terms of the melting of the parent molecule and of the polymer formed when the series eventually converges. Some of the factors responsible for the melting point trends observed in these series will be discussed and a method of predicting the melting points of homologous series to within +/- 6 K (?) will be presented. Series with members exhibiting non-isotropic liquid-crystalline behavior will be discussed within this context.
March 4 Reservations Due for Recognition Night, to Banquet Coordinator
8 All members attending Recognition Night were invited to a pre-banquet reception
at the home of Samir and Tina El Antably
Time: 4:00-5:15PM
8, Friday Recognition Night (Glen Echo Country Club) (75)
3401 Lucas & Hunt Road
6 pm social hour and cash bar
7 pm Dinner

This event honors the outgoing section Chair, 50 year members, and the Distinguished Service Award Winner. This year we also prepared a Salute to Excellence Award to Dr. William Knowles, St Louis Section member and 2001 Nobel Laureate in Chemistry.

program.pdf Photos of Entire Evening (large file) Thank you letter from one honoree

9 High School Chemistry Contest (350)

The chemistry contest is a written exam for students in two divisions, regular for first year
chemistry students and advanced for students in AP or having completed the first chemistry course.
Approximately 300 students took this exam.

All participants, and especially the 30 winners of the High School Chemistry Contest are invited to attend the Awards Night banquet. These include 1st through 5th place in each division (who receive a free dinner for themselves and a guest), as well as 10 honorable mentions in each division. Each winner receives a certificate and check. In addition, the top 3 winners receive a plaque. In 2002, each winner also received a subscription to ChemMatters, donated by section members and local industry. The teachers of each winning student are also recognized.

11 Judge St. Charles-Lincoln County Regional Science Fair
at St. Charles Community College
13,14 Career Awareness Fair (300)
America's Center, 8 AM to 3 PM
Program for 8th grade public school students to expose them to possible career choices
and the importance of mastering basic skills for these professions.

Photos (click to enlarge):

14 Board Meeting at UMSL Alumni Center

Board Members Ponder a Problem

Chair Lisa Balbes amuses Kevin Tibbs and Greg Wall
Minutes of the Meeting

16 Education Topics Discussion Group Meeting (20)
Battle of the Demos
SIUE campus
18 Kids & Chemistry (500)
Hands-on Ativities at the St Louis Science Center
19 NMR Discussion Group Meeting (35)
Josh Shimony, Washington University Medical School
Using Diffusion tensor MRI to map out the fiber structure of the brain, to learn how it is inter-connected.
19 Computational Chemistry Discussion Group Meeting (6)
"Thermodynamics and Molecular Dynamics Simulations Involving Polymer-Small Molecule Interactions"
Charles Jeffreys, University of Missouri-Saint Louis
ABSTRACT: "Differential interaction energy calculations are used to simulate the mixing of polymers and small molecules. In one study this approach was used to provide insight into the selection of an ocular drug-polymer combination for potential controlled release. In another study, this approach served as a screening tool for evaluating proposed paraffin crystal inhibitors."
22-23 Judge Illinois Jr. Academy of Science Region 12 Science Fair
Grades K-12
9:30 a.m. at SIU–Edwardsville
23 Kids and Chemistry (500)
Noon - 4 p.m
St. Louis Science Center - various hands-on activities
26 First Biotech Discussion Group Meeting
31 Deadline for receipt of nominations for Midwest Award *
April 3 Marcus Award Competition (60)
4:00 pm in Lee Hall (Lecture Hall 1), Saint Louis University.
The 2002 winner was Daniel J. Mans. Other finalists were Shana L. Reidy, Sheena M. Kadavil and
Chantel F. Fuqua, and honorable mention went to Helen Fleischer and Courtney Mapes.
Awards were presented at the Awards Night ceremonies.
Program: page 1 2 3 4
5 Cleveland Academy (10)
Presented introduction to periodic table and careers in chemistry to 10th-12th grade students
7-11 ACS Spring National Meeting in Orlando
10 Reservations Due for WCC Lunch
11 Mass Spec Discussion Group Meeting (35)
Dr. Andrew Link, Vanderbilt University
"Systematic Analysis of Protein Complexes Using Mass Spectrometry"
Donald Danforth Plant and Science Center
11 Board Meeting at UMSL Alumni Center
Minutes of the Meeting
6 pm
Judge: Greater St. Louis Science Fair at Greensfelder Pavilion/Queeny Park
Chemical Progress Week 14

6th Annual Women Chemists Luncheon (28)
12 noon, St Louis Art Museum Restaurant
Speaker: Dr. Catherine Didion, Exec. Director, Association for Women in Science
"Advancing Women in Chemistry: Strategies for Success"
Photos Program: page 1 page 2 Poster

Chemical Progress Week Monday, 15 Awards Night (89)
Raddison Hotel, 7750 Carondelet, Clayton MO 63105
Social Hour 5:30, Dinner 6:30, Program 7:15pm
Speaker: Dr. Garland R. Marshall, Dept. of Biochemistry and Molecular Biophysics, Washington University
"How does your eye detect light and signal the brain?"
Cost $18
Honors winners of the High School Chemistry Contest, the Leopold Marcus Award,
the High School Teaching Award, Chemical Technician of the Year Award and Outstanding Junior Chemistry Students
at area colleges and universities.
Press release on Chemical Technician
Information: Bruce Ritts at 314-290-4744
Reservations Samir El Antably at 314-664-5522
Photos Program Cover Program Interior
Chemical Progress Week 16 ADACIOM Luncheon (72)
Sheraton Clayton Hotel, 7730 Bonhomme, Clayton, 63105
11:30 am
Speaker: Jack Daley of Daley International
Cost is $40 at the door or $35 in advance
Reservations: Cathy Murphy at
Chemical Progress Week 17 Chemistry Career Day (80)
Benton Hall, Rm 451, UM-St. Louis, 9-11:30 a.m.
15 minute talks by speakers representing different areas of chemical employment and education.
Tours of the UM-St. Louis Chemistry facilities.
19-20 Missouri Academy of Sciences Junior Division

Winners of St Louis Section ACS's cash prizes:
Indu Chandrasekhar, The Effect of the Temperature on the Liquid on the Surface Tension of the Liquid
West Junior High School (grade 9), Columbia, MO

Kelly Marie Hollenberg, A Determination of the Amount of Reducing Sugars and Starch in Different Stages of Bananas
Ursuline Academy, St. Louis MO

Chemical Progress Week


St Louis Award Symposium (35)
Washington University, Louderman Hall 458
Honoring Awardee: Professor Scott Gilbertson, Chemistry Department, Washington University

1:00 PM Opening Remarks, Professor Kevin D. Moeller
Department of Chemistry, Washington University in St. Louis

1:05 PM Synthesis and Structure of the Marine Toxin Azaspiracid
Professor Craig Forsyth, Department of Chemistry, University of Minnesota

2:00 PM New strategies for preparing medium ring systems
Professor Mark Snapper, Department of Chemistry and Biochemistry, Boston College

3:15 PM Catalytic Asymmetric Aziridination with a Chiral VAPOL-Boron catalyst: Scope and Applications
Professor William D. Wulff, Department of Chemistry, Michigan State University

4:10 PM “Rational” and Parallel Approaches to Catalyst Development
Professor Scott R Gilbertson, Department of Chemistry, Washington University in St. Louis

5:05 PM Concluding Remarks
Professor Kevin D. Moeller, Department of Chemistry, Washington University in St. Louis

Reception immediately following in Millstone Lounge
Photos program.gif

Chemical Progress Week 20 Chemistry Olympiad (11)
8 am to 3 pm
St. Louis Community College at Florissant Valley

The top 11 scoring students in the advanced division of the High School Chemistry Contest qualify for the US Chemistry Olympiad exam. The Olympiad exam has written and laboratory components. From the national competition, 20 students are chosen to participate in a study camp from which comes the US Chemistry Olympiad Team. In 2002, High Honors (top 50 nationally) was earned by local student Arvind Ravi, and honors (National top 150) was earned by local scholars Karth Ponnusamy, Jonathan Ray and Peter Scully.

Details and Photos

Chemical Progress Week 20 St Louis Award Banquet (67)
Kemoll's Restaurant, 1 Metropolitan Square, 14th Floor, St Louis MO
Cocktails 6 pm, Banquet 7 pm, Program 8 pm
Dinner and program honoring this year's recipient, Scott R. Gilbertson of Washington University
Cost $25
Reservations: Samir El-Antably 314-664-5522
Photos Program: cover interior
23 Lafayette High School (4)
Presented careers that use chemistry
23 Computational Chemistry Discussion Group Meeting (11)
Peter Fox, Tripos, Inc.
"Efficient and Effective Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets
for use in Combinatorial Library Design "
ABSTRACT: Generalized formulations of the key interaction points in ligand binding to a specific protein - i.e., pharmacophore hypotheses - play a key role in 3D database searching, making it possible to identify lead compounds which can interact in the same way yet fall outside existing lead series or patent estates. Fully flexible 3D searching has proven particularly effective in this regard. Given this success, it seemed very reasonable to characterize ligands of pharmacological interest in terms of all possible pharmacophores they might present to a potential binding site. Unfortunately, even relatively small and rigid ligands can present a remarkably large number of pharmacophoric patterns, so it is necessary to decompose them into component feature multiplets of manageable size. We present a fingerprint (bitmap) container that uses a compression scheme to characterize the bitmap, while allowing on-the-fly bitmap operations on the compressed bitmap, with no need to decompress it first. We are using this approach very successfully with pharmacophoric multiplets, where the solution space, and consequently the bitmap size, is extremely large. In particular, compression makes it possible to carry out stochastic sampling of the full conformational space,
obviating the need to consider only fixed torsional increments.
25 Kids & Chemistry (18 daughters, 15 parents)
Hands-on Activities for Take your Daughter to Work Day
at Washington University, McMillen Chemistry Laboratory, 2nd floor.
Joe and Jenna W. Kimberly K. and Nathilla W.
Kimberlie P.
Kachiu and Josh B. Brittiany M. and Sandra B.
Devon H.

Anna and Jim L.
Kirinne and Kirsten S. Click on any image for a full-sized version.

May 6 Kids & Chemistry: Diaper Chemistry (40)
Clark Elementary 2nd grade
9:45 a.m. training, 10:45 a.m. activities

Click on any photo for larger image

9 NMR Discussion Group Meeting (28)
Professor Shimon Vega, Weizmann Institute of Science, Rehovot, Israel
"Phase Modulated RF Pulses in High Resolution NMR of Protons And Quadrupolar Nuclei in Rotating Solids"
9 Board Meeting at UMSL Alumni Center
Minutes of the Meeting
11 Mass Spec Discussion Group Meeting (20)
Dr. Henry Rohrs of Mass Sensors, Inc
"Miniature Mass Spectrometers for Sensor Applications"
Washington University Campus.
21 Biotech Discussion Group Meeting at UMSL
22 Computational Chemistry Discussion Group Meeting (11)
Speaker: David Baker, Tripos, Inc.
"Interactive Exploration of High Volume Datasets Using HiVol and HiStats"
Abstract: HiVol and HiStats are new software tools for analyzing and visualizing the large datasets typical of high-throughput synthesis and screening efforts. Chemical and property data for over a million compounds can be readily calculated, filtered, sorted, and graphed. Datasets can be interactively and iteratively partitioned into subsets based on 2D structure searching, diversity/similarity, registration Ids, and property range. Multiple databases and subsets are simultaneously accessible; each displayed in a spreadsheet complete with 2D structures and associated properties. Additional visualization tools include scatter plots, histograms, and dendrograms. HiStats calculates univariate statistics, performs hierarchical clustering, and builds regression models that profile the properties of large datasets in order to guide follow-up experimen
23 Section Chair attended University of Missouri-St Louis Chancellor Blanche M. Touhill's
26th Annual Report to the Community Luncheon. Program Front Back
31 Nominating ballots due *
June 3 "Personal and Industrial Chemical Safety" (30)
Greg Wall,
at Ameren UE.
6 YCC planning meeting at Washington University School of Medicine
15 Midwest Award ballots due *
19 Computational Chemistry Discussion Group Meeting (19)
Speaker: Prof. John Dearden, Liverpool John Moores University.
"QSAR modeling of Drug Toxicity"
21 Small Chemical Business/Women Chemists meeting (2)
22 Kids and Chemistry (150)
Hands-on activities at the St Louis Science Center
Publicity in Science Center's newsletter
30 Midwest Award Recipient must be selected by this date *
July 10 Mass Spec Discussion Group (40)
Annual post-ASMS Picnic and Poster Session
Millstone Plaza on the Washington University Campus

A total of 14 resarch posters and a special display of 10 historical posters detailing important develoments in mass spectrometry were presented. Brats and burgers with assorted side dishes and liquid refreshments were supplied.

Carl Tempas, James Carroll, and Roger Upham; Fong-Hsu and Mike Gross enjoy the picnic.
Click on either image for full-size version.

22-26 Flinn Summer Workshops for Chemistry Teachers (39)

Sponsored by St Louis ACS, Sigma Chemical and the University of Missouri - St Louis.
Story and photos.

29 Danforth Plant Sciences Center cover story in Chemical and Engineering News
August 18-22 ACS National Meeting in Boston, MA
ChemLuminary Awards - St Louis Activity Wins:

Activity or Program that Best Addresses the ACS Strategic Thrusts, for Chemical Progress Month
Certificate of Excellence in 2001 for the Most Innovative Use of Technology
Certificate of Excellence in 2001 in the Outstanding Large Section category

Click on any image for full-size version

September Ballots for officers must go in October Bond *
Kids and Chemistry (50)
Meramac Valley Community School
Workshop for 9th-12th graders
9 YCC Bowling Party (6)
Tropicana Bowl
Monday, September 9, 2002
7:30 PM

This was an informal event geared towards encouraging interaction between young scientists.

A good time was had by all.

Tuesday, 10 Board Meeting at UMSL Alumni Center
Minutes of the Meeting
95th Anniversary Celebration 11 Dr. Alfred Bader, founder of Aldrich Chemical (75)
"Richard Anshutz, Archibald Scott Couper and Josef Loschmidt: A Detective at W
University of Missouri - St. Louis, Benton Hall 451
4:00 PM

Program Front/Back Cover Interior

University of Missouri - St Louis
Chemistry Department Chair
Professor Lol Barton
introduces Dr. Bader
Dr. Bader speaks..... a standing room only crowd

(click on any photo for a larger image)

95th Anniversary Celebration 11 Dr. Alfred Bader, founder of Aldrich Chemical (75)
"History of the Aldrich Chemical Company and Sigma-Aldrich"
Sigma-Aldrich Research & Development Building
2909 Laclede, in the Auditorium

Reception at 6:00 PM, talk at 7:00 PM.

Program Front/Back Cover Interior

(Click on any photo for larger image)

Guests enjoy Sigma-Aldrich's hospitality
A packed audience Dr. Greg Wall introduced the speaker
Dr. Alfred Bader addresses the crowd ..
Dr. Bader signs copies of his book Chemists line up for autographs Event organizer Greg Wall,
Isabella and Alfred Bader

(click on any photo for a larger image)

95th Anniversary Celebration 12 Dr. Alfred Bader (20)
"The Rembrandt Research Project and the Collector"
St Louis Science Center
Reception at 6:30 PM, talk at 7:00 PM

Program cover and interior

Attendees enjoy refreshments
Greg Wall introduces
the speaker
Dr. Alfred Bader
addresses the crowd


Computational Chemisty Discussion Group Meeting (11)
"Quantum Core Technology"
5:00 p.m., refreshments from 4:30 p.m.
Speaker: David Young, Tripos, Inc.

Abstract: Mechanism-based drug design is the process of designing drugs that are covalently bound to their enzyme target. This talk will discuss some of the technical issues involved in this type of computational modeling. A set of computational tools for doing mechanism-based drug design, and the methodology for using them will be presented. This combination of software and methodology is Quantum Core Technology, which was developed at eXegenics Inc.

October 9 Career Fair at Keysor Elementary School (150)
Demonstrations "Life Cycle of a Plastic Soda Bottle"
and dry ice in water with cabbage juice indicator for all 3rd, 4th and 5th grade students.

Thank you letter: front back Click on photos for larger images.

10 Board Meeting at UMSL Alumni Center
Minutes of the Meeting
15 NMR Discussion Group Meeting (22)
Department of Physics, Washington University
Coffee: 3:45 PM, Crow 204
Lecture: 4:00 PM, Crow 204

Xin Yu, Sc.D.
Department of Medicine/Cardiology, Washington University School of Medicine
"MRI Characterization of Cardiovascular System: From Function to Structure"

In this talk, I will introduce two techniques that we have been using to characterize cardiovascular system in small animal models of cardiovascular disease. They are 1) MRI tagging in assessment of regional ventricular wall motion, and 2) Diffusion tensor MRI in evaluation of three-dimensionalmyocardial fiber architecture. The combination of these two techniques will offer new insights into the function-structure relationship in myocardium. Cardiac MRI tagging involves the generation of a saturation pattern in the imaging volume prior to the acquisition of images. The deformation of the saturation pattern in the image reflects the deformation of the underlying tissue. This technique provided the first opportunity to examine myocardial motion and deformation noninvasively, as well as to evaluate it more comprehensively and serially. The application of this technique to the characterization of functional alterations in post-infarct rat heart and dystrophic mdx mouse will be presented. Ventricular function is influenced prominently by the unique three-dimensional organization of myocardial fibers. Several recent studies have shown that diffusion tensor MRI has the potential for rapid and nondestructive reconstruction of the three-dimensional fiber structure throughout the ventricles at high spatial resolution. Our experience in applying this technique to the characterization of post-infarct remodeled rat heart will be presented.

Educational Topics Discussion Group (10)
Social: 4:00 PM
Meeting: 4:30 PM

The topic of the presentation was outreach activities that you can do with your students, especially for National Chemistry Week which begins on October 20 this year. Greg Wall from the Kids & Chemistry section presented information on activities available for you and your students to carry out or become involved in. Rose Davidson will share her experiences with the outreach programs which she has done with her students at area elementary schools as a part of National Chemistry Week and area Science Nights. Other presentations or input would be appreciated.

Where: St. Joseph's Academy, 2307 South Lindbergh

16 Computational Chemisty Discussion Group Meeting (12)
Wednesday, October 16th
5:00 p.m., refreshments from 4:30 p.m.
Speaker: Anita C. White, Ph. D., Pharmacia Corporation
" In Silico Approaches for the prediction of Toxicity and Metabolic Fate"

Abstract: In recent years there has been increasing attention on the development of early screening as a way to improve the efficiency of the drug discovery process. This has led to the emergence of highthroughput screening assays for ADME and toxicity prediction. A rapidly developing component of this screening approach for drug discovery is the use of computer based (in silico) prediction. In this presentation we will describe the results from a recent validation study in which the computer based predictive systems (TOPKAT, DEREK, CASETOX) were compared in their ability to predict mutagenicity for a series of mutagenic and non-mutagenic molecules. In addition, this presentation will discuss statistical approaches for the evaluation of this data and discuss the advantages of using more that one system for toxicity prediction. Finally, a brief discussion of strategies for predicting novel structure metabolism will be presented.

18 Alpha Chi Sigma Demos
Wildwood Middle School
NCW 19 NCW - Scientist at the Center (2900)
ACS at the St Louis Science Center
Slime, Liquid Nitrogen demos, Haloween Chemistry, Science Fair Ideas and more!


NCW 21 Kids and Chemistry (40)
Cadet-Senior Girl Scout Career Night
7:00 p.m. - 8:30 p.m.
Salem Lutheran School, 5025 Lakewood Ave., St. Louis, MO 63123
23 6:02 am National Mole Day
23-25 Midwest Regional Meeting in Lawrence, Kansas
24 Midwest Award Lecture (80)

The 58th ACS Midwest Award winner, Professor Michael Gross (pictured above), boasts a distinguished academic career first at the University of Nebraska –Lincoln (1968-94) and, since 1994, at Washington University in St. Louis. Mike has authored over 400 scientific articles and book chapters, edited or co-edited four books, and trained over 80 graduate students, postdoctoral associates, and staff. Mike’s notable contributions to the field of mass spectrometry began early in his career and include the first observation of a gas-phase distonic ion and the discovery of “charge-remote fragmentation.” With coworker Charles Wilkins, Mike built the second FT-ICR mass spectrometer in the late 1970s and went on to demonstrate a number of significant analytical applications such as GC/FTMS, laser desorption FTMS, high-pressure trapping in FTMS, and the algorithm for exact mass measurements. Current research has as goals the development of a low-magnetic field MALDI instrument that employs high-pressure focusing, the use of H/D exchange to understand protein/ligand interactions, and the use of mass spectrometry in cancer.

24 Midwest Award Banquet and Award Ceremony(80)
program Photos and Details

Announcement in C&EN

25 Nominations for Chemical Technician Due
NCW 20-26 National Chemistry Week

Proclamation from State of Missouri

Proclamation from City of St Louis

NCW 29 National Chemistry Week (60)
Demos at North Kirkwood Middle School

Excerpts from thank you notes:

"Thank you Dr. Balbes for coming to our class to talk about chemistry."

"It was a ton of fun. I was wondering what would happen to the balloon when you put it in. The ice cream was one of the best I have tasted."

"Thank you so much for coming to our class and teaching us about liquid nitrogen.
The ice cream was so good. I thought it was really cool how the balloon shriveled up when you poured L.N. on it and then it expanded."

more photos

NCW 30 Battle of the Burets (60)

The 10th annual Battle of the Burets was held October 30th at the St. Louis Community College - Florissant Valley in conjunction with National Chemistry Week. Twenty-seven teams from 15 area high schools participated in this exciting test of titration skills. Three preliminary rounds were held and the winning teams competed in the final round for the grand championship. Contest Rules.

more photos and participant list

31 Local Section officer ballots due to Secretary*

NMR Discussion Group Meeting (35)
Department of Physics, Washington University
Coffee: 3:45 PM, Compton 241
Lecture: 4:00 PM, Compton 241

Speaker: Boyd M. Goodson, Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale
"Applications of Optical Pumping and Polarization Techniques in NMR"

Abstract: NMR spectroscopy has been established as one of the premiere analytical tools that scientists have at their disposal. Yet, conventional NMR methods suffer from a common drawback that in many circumstances, can limit their power and applicability: a notorious lack of sensitivity resulting from low equilibrium nuclear spin polarization. This weakness can lead to a variety of critical limitations, including the attainable spatial and temporal resolution, the available information content in structure determination, the overall feasibility of potential experiments, and the minimum amounts of substances and time required to obtain adequate spectra. However, by combining the high detection sensitivity of optical methods with the well-resolved spectral sensitivity of NMR, optical/nuclear double resonance (ONDR) techniques can provide unique capabilities for studying molecules, materials, and living tissues. For example, the optical pumping of noble gases with laser light can increase their nuclear spin polarization (and hence detection sensitivity) by many orders of magnitude. Nevertheless, the power and general applicability of such ONDR approaches can be vastly improved if the high nuclear spin magnetization achieved in systems like xenon can be efficiently transferred to substances of greater interest. The sensitive spatial and temporal dependences of the polarization transfer would provide a direct probe of the sample under study; moreover, the polarization enhancement could significantly improve the sample's NMR detection sensitivity as well.

7 Rockwood School District Elementary Science Night at Woerther Elementary (100)
Kids and Chemistry - Chromatography and acid base reactions
9 Kids and Chemistry (100)

Two 75 minute workshops for child care providers on how to "do" science with children ages 3-6 kids at Florrisant Valley Community College.
Announcement Schedule

11-12 Symposium (150)
"Mass Spectrometry in Protein Science: Proteomics, Imaging, High Order Structure"
For more info, contact Dr. Julia Gross of the Donald Danfort Plant Science Center.
14 Board Meeting (35)
5:30 social hour
6:15 Dinner and Board Meeting
7:30 Attila Pavlath Speaking

Special Location: Center of Clayton, 50 Gay Avenue, Clayton, MO 63105. From I-170, exit east on Ladue Rd. Go about 2 blocks, and turn right on Gay Ave.

After the board meeting and general section meeting, Dr. Attila Pavlath, immediate past president of national ACS, presented "It's Time for a Change", his musical program. Ten members of the Clayton High School Choir backed Dr. Pavlath up, inserting "The Impossible Dream", "Impossible" from Cinderella, "Climb Every Mountain", and other uplifting musical messages through his talk.

Program: front interior back more photos Minutes of the meeting

15 Election results must be certified to Board of Directors by this date *
15 Student Affiliates toured Sigma Chemical's DeKald Facility (10)

Computational Chemistry Discussion Group Meeting (16)
5:00 p.m., refreshments from 4:30 p.m.
"RACHEL: A New Tool for Structure-Based Lead Optimization"
Chris M.W. Ho, M.D., Ph.D., Chief Executive Officer, Drug Design Methodologies, LLC

Lead optimization is still something of an art. Structural modifications that logically should enhance affinity can decrease it. The time lines can be long, the process uncertain and frustrating, and the progress hit-or-miss. RACHEL is software designed to streamline lead optimization by automated combinatorial optimization of substituents on a lead scaffold. Starting from a ligand/receptor structure, substitutions are systematically done at user-defined points on the ligand core. Custom substituent databases based on in-house sources can be used, allowing the incorporation of enterprise and project experience. The impact of these substitutions on affinity is assessed using RACHEL's general scoring function or a custom scoring function generated by PLS analysis of user-supplied ligand/receptor affinity data. This presentation will discuss RACHEL's unique capabilities along with specific applications that demonstrate its value in lead optimization.

25 Nominations close for Chemical Technician Award
December 7 Education Topics Discussion Group
Dueling Demos
8:30am Refreshments
9-11am - Let the Demos begin
Joint meeting of local chemistry and physics teachers.
9 Reservations Due for Continuity Dinner
11 NMR Discussion Group Meeting (35)
Department of Physics, Washington University
Coffee: 3:45 PM, Compton 241
Lecture: 4:00 PM, Compton 241

Speaker: Greg Karczmar, Ph.D., Director, Magnetic Resonance Imaging and Spectroscopy Laboratory, University of Chicago

"Integration of spectral, spatial, and temporal resolution for optimal MR imaging of cancer"

Early detection and accurate staging of cancer requires anatomic images and functional information regarding blood flow and capillary permeability. Accurate assessment of vascular function entails acquisition of images with high temporal resolution following bolus injection of contrast media. On the other hand, high quality anatomic images have high spatial resolution but low temporal resolution.Spectral information can greatly improve the sensitivity and specificityof anatomic and functional imaging. Using echo-planar spectroscopic imaging, data can be acquired with high spectral and spatial resolution so that detailed spectra of the water and fat resonances are obtained for each voxel with spatial resolution equivalent to that of typical anatomic images. Analysis of water and fat line-shapes in each voxel yields images with improved contrast and anatomic accuracy, and increased sensitivity to contrast agents. These advantages come with a penalty - high spectral and spatial resolution (HiSS) images have relatively long acquisition times. Therefore this approach is not appropriate for imaging the first pass of contrast media, or for imaging large volumes of tissue. An optimal clinical protocol could include imaging a selected region - where there is increased risk of cancer - with high time resolution immediately before and after contrast media injection, followed by HiSS imaging of the same region. Subsequently, a much large volume of tissue could be imaged with much lower spectral resolution for surveillance purposes. The division of available bandwidth between spectral, spatial, and temporal dimensions would be tailored to produce the best possible result for each patient.

Board Meeting was the Continuity Dinner, along with a general section meeting (32)
The evening will begin with a social hour and open bar (beer, wine, and soft drinks) at 5:30 pm.
Dinner was served at 6:30, with the business meetings afterwards.

Greg Wall was the surprise speaker,
giving the Henry Godt Memorial Lecture in verse!

Donna Friedman was announced as the 2003 winner of the Distinguished Service Award.

A Salute to Excellence was presented to Marie Sherman
Program cover interior back

Minutes of the meeting

(Click on any photo to see larger version)

13 Nominations close for St Louis Award *

* incidates deadline set in section by-laws