Gordon Research Conferences
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Conference Program
 
Isotopes in Biological & Chemical Sciences
February 17-22, 2008
Crowne Plaza
Ventura, CA
Chair:
Daniel M. Quinn

Vice Chair:
John P. Richard

This is an interdisciplinary conference that has been held biannually since 1954. The detailed topics change from year to year depending on progress in the science and on the interests of the program organizers.

This multi-disciplinary conference explores the frontiers of science in isotope research in and at the interfaces of chemistry and biology, with links to physics and other areas of the natural and applied sciences. A wide range of applications of isotopes is covered; some examples follow:

  • Measurement of kinetic and equilibrium isotope effects for mechanistic analysis of organic, organometallic, inorganic and biochemical reactions
  • Isotopic methods of analysis in environmental, structural and biomedical chemistry
  • Role of dynamics in hydrogen transfer reactions
  • Hydrogen bond structure and dynamics
  • Theoretical modeling of isotope effects

The overarching goal of the conference is the exchange of novel concepts and ideas between these scientific areas in order to stimulate future research that otherwise may not occur. The sessions and talks are arranged so that participants from different research areas, including students, are introduced into the strongly developing field of the use of isotopes, ranging from physical chemistry to biochemistry. Special efforts are made to promote discussion among scientists of different career stages and different research areas.


Contributors
American Chemical Society
Bruker Biospin
Cell Press
The University of Iowa - Department of Chemistry

SUNDAY
4:00 pm - 9:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmENZYME MECHANISMS FROM ISOTOPE EFFECTS
Discussion Leader: W. Wallace Cleland (University of Wisconsin)
7:40 pm - 8:15 pm David Silverman (University of Florida)
"Proton Transfer in Catalysis by Carbonic Anhydrase and Superoxide Dismutase"
8:15 pm - 8:25 pm Discussion
8:25 pm - 9:00 pm Ralph Pollack (University of Maryland)
"Experimental Evidence for Enzyme Enhanced Quantum Mechanical Hydrogen Tunneling by Ketosteroid Isomerase"
9:00 pm - 9:10 pm Discussion
9:10 pm - 9:25 pm Poster Presentation: Yong (Tiger) Zhang (Albert Einstein College of Medicine)
"Transition State structures of Plasmodium falciparum and human orotate phosphoribosyltransferases"
9:25 pm - 9:30 pm Discussion
MONDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmBIOMOLECULAR STRUCTURE AND FUNCTION: A SYMPOSIUM IN HONOR OF MAURICE KREEVOY
Discussion Leader: Hans Limbach (Freie Universitaet Berlin)
9:00 am - 9:35 am Judith Klinman (University of California - Berkeley)
"Hydrogen Tunneling in Enzymes: Impact on Our Understanding of Kinetic Isotope Effects and Enzyme Catalysis"
9:35 am - 9:50 am Discussion
9:50 am - 10:25 am Coffee Break / Group Photo (10:15 am)
10:25 am - 11:00 am Jacob Schaefer (Washington University - St. Louis)
"Solids NMR Detection of in Vivo 13C and 15N Labeling of Plants and Bacteria"
11:00 am - 11:15 am Discussion
11:15 am - 11:50 am Giovanni Gadda (Georgia State University)
"Partition Isotope Effects for Enzymatic Reactions Occurring Through Multiple Pathways: The Observed Kinetic Isotope Effect in the 2-Nitropropane Dioxygenase Reaction"
11:50 am - 12:05 pm Discussion
12:05 pm - 12:20 pm Poster Presentation: In-Sook Han Lee (Kangwon National University, Korea)
"Hydride Transfer Reactions of 3-Methyl-2-phenylbenzothiazoline with π-Acceptors"
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 pmISOTOPIC METHODS OF ANALYSIS
Discussion Leader: David Perrin (UBC Vancouver)
7:30 pm - 8:05 pm Lingjun Li (University of Wisconsin)
"Isotopic Labeling for Improved Quantitative Peptidomics and De Novo Sequencing"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:55 pm Anil Modak (Cambridge Isotope Laboratories)
"13C-Breath Tests In Personalized Medicine: A Comprehensive Overview"
8:55 pm - 9:10 pm Discussion
9:10 pm - 9:25 pm Poster Presentation: Mathew J. Vetticatt (Texas A&M University)
"Isotope Effects and Mechanism of Proline Catalyzed Aldol Reaction"
9:25 pm - 9:30 pm Discussion
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 11:15 amENVIRONMENTAL AND ATMOSPHERIC CHEMISTRY
Discussion Leader: Mark Thiemens (University of California - San Diego)
9:00 am - 9:35 am Gerardo Dominguez (University of California - San Diego)
"Quantifying the Impact of Primary Sulfate from Marine Vessels Using Triple-Isotope Measurements of Oxygen in Aerosol Sulfate"
9:35 am - 9:50 am Discussion
9:50 am - 10:25 am Coffee Break
10:25 am - 11:00 am Vicki Grassian (University of Iowa)
"Surface Reactions in Environmental Catalysis and Heterogeneous Atmospheric Chemistry"
11:00 am - 11:15 am Discussion
11:15 am - 12:30 pmTHEORY AND COMPUTATION OF ISOTOPE EFFECTS - THEN AND NOW: A TRIBUTE TO MAX WOLFSBERG
Discussion Leader: Alexander Van Hook (University of Tennesee)
11:15 am - 11:30 am Vernon J. Shiner, Jr. (Indiana University)
"Isotope Effects and Force Fields"
11:30 am - 11:45 am Alexander Van Hook (University of Tennessee)
"Mass Dependent Coordinate and Condensed Matter Isotope Effects"
11:45 am - 12:00 pm Takanobu Ishida (SUNY - Stony Brook)
"Dissecting Isotope Effects"
12:00 pm - 12:15 pm Martin Saunders (Yale University)
"Ab Initio Calculation of Isotope Effects"
12:15 pm - 12:30 pmDiscussion
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 pmHYDROGEN BOND STRUCTURE AND FUNCTION
Discussion Leader: Poul Erik Hansen (Roskilde University, Denmark)
7:30 pm - 8:05 pm Jan Jensen (University of Copenhagen, Denmark)
"Amide Proton Chemical Shifts and Hydrogen Bonding in Proteins"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:55 pm Ehud Pines (Ben Gurion University, Israel)
"Primary Kinetic Isotope Effects in Photoacid-base Reactions Along Hydrogen-Bonding Networks in Aqueous Solutions"
8:55 pm - 9:10 pm Discussion
9:10 pm - 9:25 pm Poster Presentation: Ivana Matanovic (Rudjer Boskovic Institute)
"Quantum Treatment of Large Amplitude Motion in the Formic Acid Dimer and its Isotopologues"
9:25 pm - 9:30 pm Discussion
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmORGANIC STRUCTURE AND REACTIVITY
Discussion Leader: Piotr Paneth (Technical University of Lodz, Poland)
9:00 am - 9:35 am Charles Perrin (University of California - San Diego)
"Secondary Deuterium Isotope Effects on Acidity"
9:35 am - 9:50 am Discussion
9:50 am - 10:25 am Coffee Break
10:25 am - 11:00 am Andrew Bennet (Simon Frasier University)
"Progress Towards the Real-time Monitoring of Enzymatic KIEs Using NMR Spectroscopy"
11:00 am - 11:15 am Discussion
11:15 am - 11:50 am Veronica Bierbaum (University of Colorado)
"Isotopic Probes of Structure, Reactivity, and Mechanism in the Gas Phase"
11:50 am - 12:05 pm Discussion
12:05 pm - 12:20 pm Poster Presentation: Mathew P. Meyer (University of California - Merced)
"New Methods for Kinetic Isotope Effect Measurement in Asymmetric Reactions"
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
7:00 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 pmENZYME REACTION MECHANISMS
Discussion Leader: Paul Fitzpatrick (Texas A&M University)
7:30 pm - 8:05 pm Michael Toney (University of California - Davis)
"Isotopic Free Energy Profiles for Alanine Racemase"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:55 pm Anthony Sauve (Weill Cornell Medical College)
"Kinetic Isotope Effects and Transition States for Reactions Catalyzed by Sirtuins"
8:55 pm - 9:10 pm Discussion
9:10 pm - 9:25 pm Poster Presentation: Nigel Richards (University of Florida)
"A gHMQC-Based NMR Assay for Investigating Ammonia Tunneling in Glutamine-Dependent Amidotransferases: Studies of Human Asparagine Synthetase"
9:25 pm - 9:30 pm Discussion
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmISOTOPIC PROBES OF INORGANIC AND ORGANOMETALLIC REACTIVITY
Discussion Leader: Guy Lloyd-Jones (University of Bristol)
9:00 am - 9:35 am John Bercaw (California Institute of Technology)
"Using Isotopes to Probe the Mechanisms of Reactions with Organotransition Metal Compounds"
9:35 am - 9:50 am Discussion
9:50 am - 10:25 am Coffee Break
10:25 am - 11:00 am John Groves (Princeton University)
"How Nature Uses Oxygen - Lessons from Enzymes and Model Compounds"
11:00 am - 11:15 am Discussion
11:15 am - 11:50 am Roy Periana (Scripps - Florida)
"Isotopes in the Identification and Study of CH Conversion Catalysts"
11:50 am - 12:05 pm Discussion
12:05 pm - 12:20 pm Poster Presentation: Minori Abe (Tokyo Metropolitan University)
"Ab Initio Quantum-Chemical Calculations of Isotope Fractionation in the U(III)-(IV) Exchange Reaction"
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 pmCOMPUTATIONAL CHEMISTRY AND ISOTOPE EFFECTS
Discussion Leader: Vicent Moliner-Ibàñez (Universitat Jaume I, Castelló. Spain)
7:30 pm - 8:05 pm Arieh Warshel (University of Southern California)
"Computer Simulations as a Bridge Between Experimental Studies of Enzymes and Their Interpretation: Recent Confirmation of the Electrostatic Idea and Additional Evidences that Enzyme Catalysis Does Not Involve Dynamical Effects"
8:05 pm - 8:20 pm Discussion
8:20 pm - 8:55 pm Darrin York (University of Minnesota)
"Mechanisms of Phosphoryl Transfer Reactions: Merging Theory and Experiment"
8:55 pm - 9:10 pm Discussion
9:10 pm - 9:25 pm Poster Presentation: Stepan Lenevich (University of Minnesota)
"Evaluation of the Transition State Structure in the Enzymatic Farnesylation Reaction"
9:25 pm - 9:30 pm Discussion
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDepart

 
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