Conference Program
 
Isotopes In Biological & Chemical Sciences
Isotopic Probes For Mechanisms In The Chemical And Life Sciences
February 14-19, 2010
Hotel Galvez
Galveston, TX
Chair:
John P. Richard

Vice Chair:
Vernon E. Anderson

Application Deadline
Applications are no longer being accepted for this meeting. If you have been instructed to apply by the Conference Chair, please contact your Conference Coordinator for further instructions.

Jacob Bigeleisen provided a physical explanation for isotope effects on reaction rates, and was the organizer of the first Gordon Research Conference on the Chemistry and Physics of Isotopes held in 1954. This GRC has long emphasized the use of isotopic labels in the study of organic and inorganic reaction mechanisms. In more recent years the conference has come to recognize the importance of isotopes in the biological sciences. This includes applications of isotopes in medicine, in the determination of protein structure and dynamics; and, the use of isotopic probes in studies on enzymatic reaction mechanisms.

The 2010 conference will recognize the importance of isotopes in the determination of reaction mechanisms. Sessions will be devoted to the use of isotopic probes in the elucidation of organic and enzymatic reaction mechanisms, and to recent studies that feature analyses of heavy atom isotope effects. A pair of sessions will be devoted to computational modeling of isotope effects, and to theoretical treatments of hydrogen transfer reactions. Two sessions of topical interest will highlight the use of isotopic probes in medicine and in genomic enzymology. This conference has traditionally recognized those responsible for its vitality through special sessions. A session is planned for 2010 that features the work of students and colleagues of Dick Schowen. Finally, the Thursday evening session will feature “Isotopes at the Frontiers of Science”.

This conference is very interested in providing younger scientists with a forum in which to present their work. Poster presentations are strongly encouraged and eight poster presenters will be invited to give oral presentations.


Contributors
ACS Division of Biological Chemistry
Research Foundation of the State University of New York
Arzeda Corporation
Anonymous Donors

SUNDAY
4:00 pm - 8:00 pmArrival and Check-in (Office Closed 6:00 pm - 7:45 pm)
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pm ISOTOPES IN MEDICINE
Discussion Leader: Ronald Kluger (University of Toronto)
7:40 pm - 8:20 pmHenri Brunengraber (Case Western Reserve University)
"A New Class of Acyl-CoA Esters, 4-Phosphoacyl-CoAs, are Intermediates in One of Two New Catabolic Pathways of 4-Hydroxyacids (Products of Peroxidation of Lipids and Drugs of Abuse)"
8:20 pm - 8:35 pm Discussion
8:35 pm - 9:15 pmJ. Thomas Brenna (Cornell University)
"Natural Isotope Variation to Detect Doping with Performance-Enhancing Drugs in Sports"
9:15 pm - 9:30 pm Discussion
MONDAY
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pm HEAVY ATOM ISOTOPE EFFECTS
Discussion Leader: Nigel Richards (University of Florida)
9:00 am - 9:35 amJustine Roth (Johns Hopkins University)
"Oxygen Reactivity of Enzymes in Relation to Small Molecules Probed Using O-18 Isotope Effects"
9:35 am - 9:45 am Discussion
9:45 am - 10:10 am Richard Armstrong (Vanderbilt University)
Judith Klinman (University of California, Berkeley)
"Lawrence Schaad and the Swain-Schaad Relationship"
10:10 am - 10:40 am Coffee Break
10:40 am - 11:15 amAlvan Hengge (Utah State University)
"Protein Motions in Catalysis by Protein Tyrosine Phosphatases"
11:15 am - 11:30 am Discussion
11:30 am - 12:05 pmMichael Harris (Case Western Reserve University)
"Kinetic Isotope Effect Analyses of RNA 2'-O-transphosphorylation Reactions"
12:05 pm - 12:20 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pm COMPUTATIONAL MODELING OF ISOTOPE EFFECTS
Discussion Leader: Piotr Paneth (Technical University of Łódz)
7:30 pm - 8:05 pmVicente Moliner (Universitat Jaume I)
"Do Dynamic Effects Play a Significant Role in Enzymatic Catalysis? The FDH Case"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:40 pm Kin-Yiu Wong (University of Minnesota)
"Primary Kinetic Isotope Effects on Protonation of Ring-Substituted α-Methoxystyrenes from Ab Initio Path-Integral Calculations"
8:40 pm - 9:15 pmJiali Gao (University of Minnesota)
"Differential Quantum Effects between an Enzymatic and the Corresponding Uncatalyzed Reaction from Path-Integral QM/MM Simulations"
9:15 pm - 9:30 pm Discussion
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pm ISOTOPE EFFECTS: FROM MODEL STUDIES TO ENZYME CATALYSIS
Discussion Leader: Barbara Schowen (University of Kansas)
9:00 am - 9:20 amHans Limbach (Freie Universitaet Berlin)
"NMR Studies of Proton and Deuteron Bridges"
9:20 am - 9:30 amPeter Tolstoy (Freie Universitaet Berlin)
"Combined UV-NMR Studies of Proton and Deuteron Bridges"
9:30 am - 9:40 am Discussion
9:40 am - 10:05 amAndrew Bennet (Simon Fraser University)
"Flexibility in Sialidase Catalysis Probed by Heavy Atom KIEs"
10:05 am - 10:15 am Discussion
10:15 am - 10:45 am Coffee Break
10:45 am - 11:10 amIan Williams (University of Bath)
"Ensemble-Averaged QM/MM Kinetic Isotope Effects for SN2 Reactions in Solution and Enzyme-Catalyzed"
11:10 am - 11:20 am Discussion
11:20 am - 11:45 amIldiko Kovach (Catholic University of America)
"Short-Strong Hydrogen-Bonds in Support of the Inhibition of Human α-Thrombin"
11:45 am - 11:55 am Discussion
11:55 am - 12:20 pmDaniel Quinn (University of Iowa)
"Tetrahedral Intermediate Stabilization and Catalytic Power in Cholinesterase Catalysis"
12:20 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pm ISOTOPIC PROBES IN GENOMIC ENZYMOLOGY
Discussion Leader: Debra Dunaway-Mariano (University of New Mexico)
7:30 pm - 8:05 pmTadhg Begley (Texas A&M University)
"Mechanistic Insights on Complex Enzymatic Reactions using Isotopically-Labeled Substrates: PLP synthase, Thiamin Pyrimidine Synthase and Uracil Hydrolase"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:40 pm Pinghua Liu (Boston University)
"Mechanistic studies of IspG and IspH in isoprenoid biosynthesis using stable isotopes"
8:40 pm - 9:15 pmJohn Gerlt (University of Illinois)
"OMP Decarboxylase: Mechanism and Rate Enhancement"
9:15 pm - 9:30 pm Discussion
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pm ISOTOPIC PROBES OF ORGANIC REACTION MECHANISMS
Discussion Leader: Dean Tantillo (University of California, Davis)
9:00 am - 9:35 amMatthew Meyer (University of California, Merced)
"Using Occam's Razor in a Bar Fight: New Applications of Isotope Effects"
9:35 am - 9:50 am Discussion
9:50 am - 10:10 am Brian Ohta (Villanova University)
"The Symmetry of Halonium Ions"
10:10 am - 10:40 am Coffee Break
10:40 am - 11:15 amWeston Borden (University of North Texas)
"Experimental Indications of Tunneling in Organic and Organometallic Reactions - Calculations Tell Experimentalists Where to Look and What to Look For"
11:15 am - 11:30 am Discussion
11:30 am - 12:05 pmCharles Perrin (University of California, San Diego)
"Symmetry of Hydrogen Bonds"
12:05 pm - 12:20 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
(Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences; Election of the next Vice Chair)
7:30 pm - 9:30 pm PROTON TRANSFER REACTIONS
Discussion Leader: Daniel O’Leary (Bowdoin College)
7:30 pm - 8:05 pmSharon Hammes-Schiffer (Pennsylvania State University)
"Unusual Kinetic Isotope Effects in Proton-Coupled Electron Transfer Reaction"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:40 pm Yun Lu (Southern Illinois University, Edwardsville)
"Temperature-Dependent Deuterium Kinetic Isotope Effects of an Alcohol Dehydrogenase Model Reaction"
8:40 pm - 9:15 pmKevin Peters (University of Colorado)
"A Theory-Experiment Conundrum for Proton Transfer"
9:15 pm - 9:30 pm Discussion
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pm ISOTOPIC PROBES FOR ENZYMATIC REACTION MECHANISMS
Discussion Leader: Andrew Murkin (University at Buffalo)
9:00 am - 9:35 amPaul Cook (University of Oklahoma)
"Mechanism of Saccharipine-Dehydrogenase"
9:35 am - 9:50 am Discussion
9:50 am - 10:10 am John Rubach (GlaxoSmithKline)
"Solvent Kinetic Isotope Effects on Catalysis by Cathepsin C Uncover Substrate Dependent Rate-Limiting Steps"
10:10 am - 10:40 am Coffee Break
10:40 am - 11:15 amPaul Fitzpatrick (University of Texas at San Antonio)
"Mechanisms of Flavoprotein Oxidases"
11:15 am - 11:30 am Discussion
11:30 am - 12:05 pmAmnon Kohen (University of Iowa)
"Qualitative and Quantitative Use of Isotopes in Mechanistic Studies of Enzymes"
12:05 pm - 12:20 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pm ISOTOPES AT THE FRONTIERS OF SCIENCE
Discussion Leader: V. Jack Shiner Jr (Indiana University)
7:30 pm - 8:05 pmDan Singleton (Texas A&M University)
"Newtonian Kinetic Isotope Effects"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:40 pm Rory More O’Ferrall (University College Dublin)
"Disappearance of a Large Primary Isotope Effect in the Base-Catalysed Dehydration of Benzene-1,2-Dihydrodiols"
8:40 pm - 9:15 pmVern Schramm (Albert Einstein College of Medicine)
"Transition State Structures for Difficult Enzymes"
9:15 pm - 9:30 pm Discussion
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDeparture

Last Updated: February 8, 2010