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Conference Program
 
Isotopes in Biological & Chemical Sciences
Isotopes in Interdisciplinary Studies
February 2-7, 2014
Hotel Galvez
Galveston, TX
Chair:
Amnon Kohen

Vice Chair:
Daniel A. Singleton

At the 2014 meeting, the "Isotopes" GRC will celebrate its 60th anniversary. Over the past 60 years this conference has emphasized the use of isotopes in the study of inorganic, organic, environmental, biogeochemistry, and biochemical reaction mechanisms and other processes. In more recent years the conference has come to recognize the importance of isotopes in the biomedical 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 2014 conference will have a session commemorating the career and contributions of W.W. (Mo) Cleland. Cleland was one of the major contributors to studies of enzyme kinetics and the use of kinetic isotope effects in exploring enzymatic mechanisms. In recent years he developed many methods for the use of heavy-atom isotope effects in mechanistic enzymology. Another session will be devoted to celebrate Richard (Dick) Schowen’s 80th Birthday. Prof. Schowen pioneered and was a major contributor to the physical elucidation of organic and enzymatic reaction mechanisms. Sessions will include: Studies of Heavy-Enzymes (Born-Oppenheimer enzymes); Computational Modeling of Isotope Effects; Transition State Characterization Based on Multiple Isotope Effects; Isotopes in Mechanistic Enzymology; Isotopes in Environmental Studies; and more. 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 several oral presentations will be selected from among the submitted abstracts (to be announced in advance).


Contributors

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 pmPhysical Aspects of Isotope Effects (Session in Honor of Richard (Dick) Schowen)
7:40 pm - 8:10 pmDiscussion Leader: Daniel Quinn (University of Iowa)
"Presentation of Prof. Schowen and His Contributions"
8:10 pm - 8:40 pmAndy Bennett (Simon Fraser University)
"The Utility of NMR Spectroscopy for the Measurement of Multiple Kinetic Isotope Effects on Enzymatic Reactions"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmIan Williams (Bath University)
"Isotope-Effect Calculations in the Supramolecular Age"
9:20 pm - 9:30 pmDiscussion
MONDAY
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmFrom Methods Development to Medicine (Session in Memory of W.W. (Mo) Cleland)
9:00 am - 9:30 amDiscussion Leader: Paul Cook (University of Oklahoma)
"'Mo' Cleland - Theory and Application of Isotope Effects to Enzyme Reactions"
9:30 am - 10:00 amJohn Blanchard (Albert Einstein College of Medicine)
"Solvent Isotope-Induced Equilibrium Perturbation by Isocitrate Lyase"
10:00 am - 10:10 amDiscussion
10:10 amCoffee Break
10:40 am - 11:10 amAlvan Hengge (Utah State University)
"There, and Back Again: Closing the Loop in Protein-Tyrosine Phosphatases"
11:10 am - 11:20 amDiscussion
11:20 am - 11:50 amTonya Zeczycki (Brody School of Medicine)
"Unmasking the Last Mysteries of Pyruvate Carboxylase Catalysis"
11:50 am - 12:00 pmDiscussion
12:00 pm - 12:20 pmPatrick Frantom (The University of Alabama)
"Using Kinetic Isotope Effects to Investigate Allosteric Mechanisms"
12:20 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 pmAnalytical and Mechanistic Studies of Isotope Effects
Discussion Leader: Anthony Sauve (Weill Cornell Medical College)
7:30 pm - 8:00 pmTom Brenna (Cornell University)
"Progress and Promise Toward Automated Intramolecular High Precision IRMS"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmAndrew Murkin (University at Buffalo)
"New Approaches for Measurement of Kinetic Isotope Effects and Their Application to Enzyme Mechanisms"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:05 pmYi Liu (The Johns Hopkins University)
"Isotopic Probing of Tyrosyl Radical-Mediated Dioxygenase Activity in Cyclooxygenase-2"
9:05 pm - 9:10 pmDiscussion
9:10 pm - 9:25 pmKevin Francis (University of Iowa)
"Preservation of Protein Dynamics in Dihydrofolate Reductase Evolution"
9:25 pm - 9:30 pmDiscussion
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmIsotope Effects in Organic Reactions
Discussion Leader: Matt Meyer (University of California at Merced)
9:00 am - 9:25 amTom Driver (University of Illinois at Chicago)
"Exploiting the Mechanism of C-H Bond Amination of Aryl Azides to Trigger [1,2] Migrations"
9:25 am - 9:35 amDiscussion
9:35 am - 9:50 amAnat Milo (University of Utah)
"KIE Inspired Parameters for Describing and Predicting Catalytic Selectivity"
9:50 am - 9:55 amDiscussion
9:55 am - 10:10 amShuhuai Xiang (University of California at Merced)
"A General Approach to Mechanism in Multi-Product Reactions: Product-Specific Intermolecular KIEs"
10:10 am - 10:15 amDiscussion
10:15 amCoffee Break
10:50 am - 11:15 amVy Dong (University of California at Irvine)
"Grasping Hydroacylation via Isotope Handles"
11:15 am - 11:25 amDiscussion
11:25 am - 11:50 amDan O'Leary (Pomona College)
"On the Role of Entropy and Enthalpy in Conformational Isotope Effects"
11:50 am - 12:00 pmDiscussion
12:00 pm - 12:25 pmCharles Perrin (University of California at San Diego)
"Reactivity, Selectivity, and Kinetic Isotope Effects in Quenching of a Naked Aryl Anion"
12:25 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 pmEnigmatic Observations with Isotope Effects
Discussion Leader: Poul Erik Hansen (Roskilde University)
7:30 pm - 8:00 pmMikhail Shchepinov (Retrotope, Inc.)
"Non-Enzymatic Oxidation of Deuterated Polyunsaturated Fatty Acids"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmEfthimios Skoulakis (Biomedical Sciences Research Centre 'Alexander Fleming')
"Smelling Vibrations"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:05 pmLei Li (Indiana University-Purdue University Indianapolis)
"A Steric Deuterium Isotope Effect During Spore Photoproduct Formation"
9:05 pm - 9:10 pmDiscussion
9:10 pm - 9:25 pmBruce Palfey (University of Michigan)
"Asymmetric Solvent Isotope Effects - A Transient Kinetic Approach for Probing Exchangeable Protons"
9:25 pm - 9:30 pmDiscussion
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmIsotopes in Environmental Studies
Discussion Leader: Stephanie Spahr (Swiss Federal Institute of Aquatic Science - Eawag)
9:00 am - 9:30 amBarbara Sherwood Lollar (University of Toronto)
"Insights into Enzymatic Transformation of Organic Contaminants Using CSIA"
9:30 am - 9:40 amDiscussion
9:40 am - 9:55 amFaina Gelman (Geological Survey of Israel)
"Bromine and Carbon Isotope Effects During Photolysis of Brominated Phenols"
9:55 am - 10:00 amDiscussion
10:00 amCoffee Break
10:30 am - 11:00 amThomas Hofstetter (ETH)
"Kinetic Isotope Effects of Nitroarene Oxidation and Reduction: New Proxies for Assessing the Biodegradation of Nitroaromatic Explosives"
11:00 am - 11:10 amDiscussion
11:10 am - 11:40 amBridget Bergquist (University of Toronto)
"The Odds and Evens of Mercury Isotopes: Mechanisms of Mass Independent Fractionation and Implications for Understanding Hg Biogeochemistry"
11:40 am - 11:50 amDiscussion
11:50 am - 12:20 pmBoris van Breukelen (University Amsterdam)
"Model-Based Interpretation of Isotope Data for Quantification of Pollutant Transformation in the Environment"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
7:30 pm - 9:30 pmTheory and Calculations of Isotope Effects
Discussion Leader: Steve Schwartz (University of Arizona)
7:30 pm - 8:00 pmDan Major (Bar-Ilan University)
"Good and Bad Transition States and Misbehaving Kinetic Isotope Effects"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmDarrin York (Rutgers University, Bush campus)
"Calculations of Kinetic Isotope Effects as a Tool to Probe Phosphoryl Transfer Reactions Catalyzed by Enzymes and Ribozymes"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:05 pmMichael Dzierlenga (University of Arizona)
"Determination of Energy Barriers in Yeast Alcohol Dehydrogenase Through Transition Path Sampling Methods"
9:05 pm - 9:10 pmDiscussion
9:10 pm - 9:25 pmLukasz Szatkowski (Texas A&M)
"Chloromethane Dehalogenation by Isobacteriochlorin Transition Metal Complexes"
9:25 pm - 9:30 pmDiscussion
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmHeavy Enzymes
Discussion Leader: Holly Ellis (Auburn University)
9:00 am - 9:30 amVern Schramm (Albert Einstein College of Medicine)
"Enzymatic Transition States, Lifetimes, Protein Motion and Heavy Enzymes"
9:30 am - 9:40 amDiscussion
9:40 am - 9:55 amZhen Wang (Albert Einstein College of Medicine)
"Investigating the Dynamics-Function Relationship in Enzymes: When Dihydrofolate Reductase is Heavier"
9:55 am - 10:00 amDiscussion
10:00 amCoffee Break
10:30 am - 11:00 amSam Hay (University of Manchester)
"Isotope Probes of Tunneling and Dynamics at Ensemble, Single Molecule and Ultrafast Levels"
11:00 am - 11:10 amDiscussion
11:10 am - 11:40 amMichael Toney (University of California at Davis)
"Heavy Enzyme Kinetic Isotope Effects on Proton Transfer in Alanine Racemase"
11:40 am - 11:50 amDiscussion
11:50 am - 12:05 pmIgnacio Tunon (University of Valencia)
"Electrostatic Catalytic Effects in Heavy and Light Versions of Purine Nucleoside Phosphorylase"
12:05 pm - 12:10 pmDiscussion
12:10 pm - 12:25 pmVicente Moliner (University Jaume I)
"Role of Protein Motions to Catalysis. Computational Studies on Wild Type and Heavy Isotope Labelled DHFRs"
12:25 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 pmFrontiers in Enzyme Mechanisms
Discussion Leader: Ronald Kluger (University of Toronto)
7:30 pm - 8:00 pmJudith Klinman (University of California at Berkeley)
"Shifting Sands in Our Understanding of Enzymatic Methyl Transfer"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:50 pmHung-wen (Ben) Liu and Mark Ruszczycky (University of Texas, Austin)
"Mechanistic Investigation of a Potential Diels-Alderase: Alpha-Secondary Deuterium Isotope Effects on an Enzyme Catalyzed [4+2]-Cycloaddition"
8:50 pm - 9:00 pmDiscussion
9:00 pm - 9:30 pmConcluding Remarks
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDeparture

Last Updated: August 27, 2014
 
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