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2015 Mesilla Chemistry Workshop

February 7-10, 2015

"Isolated Biomolecules and Biomolecular Interactions: From the Gas Phase and Towards Solution"


Mary T. Rodgers, Department of Chemistry, Wayne State University

Peter B. Armentrout, Department of Chemistry, University of Utah

Meeting Site:

Sunday Sessions: Meson de Mesilla  

Remaining Sessions: Double Eagle Restaurant on the Mesilla Plaza  




New Mexico State University

Texas Tech University

The Robert Welch Foundation


Saturday, February 7
6:30 pm

Reception - La Posta Restaurant

Sunday, February 8

Session Chair: Mary T. Rodgers

8:25   Mary T. Rodgers

Welcome to the Workshop and Some Details

8:30   Julia Laskin

Energetics and Kinetics of Peptide Fragmentation

9:00   George Barnes

Molecular Dynamics Studies of Proton Transfer and Complex Formation during SID

9:30   William L. Hase

Dynamics of Energy Transfer and Soft-Landing in Collisions of Protonated Dialanine with Perfluorinated Self-Assembled Monolayer Surfaces

10:00   Coffee Break

Session Chair: Mary T. Rodgers

10:30   Jos Oomens

Structural Characterization of CID and ETD Peptide Fragments by IR Ion Spectroscopy

11:00   Robert C. Dunbar

Binding Metal Ions to Peptides: Variations in the Binding Motifs

11:30    P. B. Armentrout

Guided Ion Beam and Computational Studies of the Decomposition of a Protonated Model Thiourea Protein Cross-Linker

Afternoon free

Session Chair: Gert von Helden

7:00   Jennifer Brodbelt

UV Photodissociation for Characterization of Intact Proteins and Protein Complexes

7:30   Ryan R. Julian

Energy Transfer for Distance Constraint Determination in Peptides and Proteins

8:00   Frantisek Turecek

Photodissociation of Gas-Phase Peptide Cation-Radicals

Monday, February 9

Session Chair: Peter B. Armentrout

8:30   Lars Konermann

From Solution into the Gas Phase: Exploring the Mechanism of Electrospray Ionization

9:00   Jack Simons

Examples of Unscreened and Screened Coulomb Potentials in the Electronic Structures of Gas-Phase and Condensed-Phase Biomolecules

9:30   Evan R. Williams

Ions and Their Journey from Solution into the Gas Phase

10:00   Coffee Break

Session Chair: Peter B. Armentrout

10:30   Nicolas Polfer

Elucidating the Fragmentation Chemistry of Sulfopeptides

11:00   Ryan Steele

New Computational Approaches for Vibrational Signatures of Biomolecular Interactions

11:30   M. T. Rodgers

Protonated DNA and RNA Nucleosides: Structures and Mechanisms and Energetics for Glycosidic Bond Cleavage: A Synergy of IRMPD, TCID and Theoretical Studies

Early Afternoon Free

Session Chair: Michael T. Bowers

5:00   Brandon Ruotolo

Collision Induced Unfolding of Protein Complexes: Current Mechanisms and Applications

5:30   Vicki H. Wysocki

Comparison of SID with CID


Discussion on the Future of the Former GRC on Biomolecules

Tuesday, February 10

Session Chair: Jos Oomens

8:30   M. T. Bowers

Energy, Cross Sections and Structure: An Overview

9:00   Matthew F. Bush

Effects of Charge State on the Structures of Protein Ions in the Gas Phase: Results from Ion/Ion Proton Transfer Reactions

9:30   D. E. Clemmer

Folding Polyproline in Water/Propanol Solutions: Intermediates, Pathways, and Energetics

10:00   Coffee Break

Session Chair: Jos Oomens

10:30   Zhibo Yang

Applications of the Single-Probe MS to Bioanalysis: From Single Cells to Tissues

11:00   Gert von Helden

IR Spectroscopy of Biomolecules in Helium Droplets and After IMS-MS Selection

11:30   J. L. Beauchamp

Amphiphilic Molecules at the Air-Water Interface: Concurrent Exposure to Distinct Worlds of Molecular Structure and Reaction Dynamics

Early Afternoon Free

Session Chair: Bill Hase

5:00   Yehia Mechref

Rearrangement of Glycan and Glycopeptide Structures in Tandem MS

5:30   Philippe Maitre

Conformation and Fragmentation of Cationized Monosaccharides Probed by IMS-MS/MS-IRMPD


Workshop Banquet