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Gaseous Ions: Structures, Energetics & Reactions
Gordon Research Conference

Ions at Work: From Reaction Dynamics to Macromolecular Structure

Dates

February 22-27, 2015

Location

Hotel Galvez
Galveston, TX

Organizers

Chair:
Mark A. Johnson

Vice Chair:
Julia Laskin

Meeting Description

This conference is a forum for the international community that develops new strategies for capturing complex molecular architectures as gas phase ions and devises ways by which they can be structurally characterized with great sensitivity. Emergent areas of interest include elucidation of macromolecular structures and their dynamical transformations through mobility and spectroscopy, in situ diagnostics for atmospheric chemistry and transportation security, cryogenic processing of ions extracted from solution, and mechanisms of small molecule activation in catalysis. The conference will cover theoretical and experimental advances on systems ranging from model studies at the molecular scale to the characterization of nanomaterials. We emphasize both the development of fundamental principles and their application to an increasingly wide range of practical problems.

Each of the nine conference sessions will focus on a topic within this spectrum, and there will also be poster sessions for contributed papers, with sufficient space and time to allow all participants to present their latest results. About ten of the poster abstracts will be selected for 15 minute "late-breaking topic" talks during the conference sessions. Late-breaking topic selection will be done about a month before the meeting. Funds should be available to offset the participation cost for young investigators.

Contributors

Final Meeting Program

Sunday
4:00 pm - 8:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmStructural Characterization of Macromolecules
Discussion Leader: Michael Bowers (University of California, Santa Barbara, USA)
7:40 pm - 7:45 pmOpening Remarks
7:45 pm - 7:55 pmIntroduction by Discussion Leader
7:55 pm - 8:25 pmJennifer Brodbelt (University of Texas at Austin, USA)
"Ultraviolet Photodissociation for Characterization of Biomolecules"
8:25 pm - 8:35 pmDiscussion
8:35 pm - 8:45 pmSelected from Poster Abstracts: Michael Kamrath (École Polytechnique Fédérale de Lausanne, Switzerland)
"Infrared Spectroscopy of the Mobility Selected Ions of H+ Gly-Pro-Gly-Gly (GPGG)"
8:45 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmScott McLuckey (Purdue University, USA)
"Criteria for Selective Covalent Bond Formation in Gas-Phase Ion/Ion Reactions"
9:20 pm - 9:30 pmDiscussion
Monday
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmNew Developments in Cryogenic Ion Preparation and Characterization
Discussion Leader: Dieter Gerlich (Technische Universitaet Chemnitz, Germany)
9:00 am - 9:10 amIntroduction by Discussion Leader
9:10 am - 9:40 amOleg Boyarkine (Ecole Polytechnique Fédérale de Lausanne, Switzerland)
"Structural Identifications of Biomolecules by Spectroscopy-Mass-Spectrometry 2D Fingerprinting of Cold Ions"
9:40 am - 9:50 amDiscussion
9:50 am - 10:20 amJana Roithova (Charles University in Prague, Czech Republic)
"Helium Tagging of Organometallic Ions in a Cryogenic Trap"
10:20 am - 10:30 amDiscussion
10:30 am - 10:55 amCoffee Break
10:55 am - 11:25 amGert von Helden (Fritz-Haber-Institut Der Max-Planck-Gesellschaft, Germany)
"IR Spectroscopy of Peptides and Proteins in Liquid Helium Droplets"
11:25 am - 11:35 amDiscussion
11:35 am - 11:45 amSelected from Poster Abstracts: Julia Lehman (University of Colorado, USA)
"Photofragmentation of Ozonide Containing Clusters, O3-(H2O)n and O3-(Ar)n, Generated in a Pulsed Plasma-Entrainment Anion Source"
11:45 am - 11:50 amDiscussion
11:50 am - 12:20 pmDaniel Neumark (University of California, Berkeley, USA)
"Slow Electron Velocity-Map Imaging of Cryogenically Cooled Anions"
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 pmIonization and Structure of Biomolecules
Discussion Leader: Vicki Wysocki (Ohio State University, USA)
7:30 pm - 7:40 pmIntroduction by Discussion Leader
7:40 pm - 7:50 pmSelected from Poster Abstracts: Jaime Stearns (Air Force Research Laboratory, USA)
"Ultraviolet and Infrared Spectroscopy of Gas Phase Ionic Liquid Ion Pairs"
7:50 pm - 7:55 pmDiscussion
7:55 pm - 8:25 pmPerdita Barran (University of Manchester, United Kingdom)
"Measuring Conformational Dynamics of Natively Unstructured Proteins - Adventures with Electrons and Photons"
8:25 pm - 8:35 pmDiscussion
8:35 pm - 8:45 pmSelected from Poster Abstracts: Conrad Wolke (Yale University, USA)
"Tracking Down H-Bonding in EMIM-Based Ionic Liquids with Isotopically- Labeled Cryogenic Vibrational Spectroscopy"
8:45 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmZheng Ouyang (Purdue University, USA)
"Simulation and Instrumentation for Gas Phase Ion Processing"
9:20 pm - 9:30 pmDiscussion
Tuesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmIons in Atmospheric Chemistry
Discussion Leader: Albert Viggiano (Air Force Research Laboratory, USA)
9:00 am - 9:10 amIntroduction by Discussion Leader
9:10 am - 9:40 amJoachim Curtius (Goethe University, Germany)
"Cluster Ions and Ion-Induced Aerosol Formation in the Atmosphere: Results from the CLOUD Experiment at CERN"
9:40 am - 9:50 amDiscussion
9:50 am - 10:20 amRuth Signorell (ETH Zurich, Switzerland)
"Electron Mean Free Path from Angle-Resolved Photoelectron Spectroscopy of Aerosol Particles"
10:20 am - 10:30 amDiscussion
10:30 am - 10:55 amCoffee Break
10:55 am - 11:25 amFrancesco Paesani (University of California, San Diego, USA)
"Computer Modeling of Hydration Phenomena: From Clusters to Bulk"
11:25 am - 11:35 amDiscussion
11:35 am - 11:45 amSelected from Poster Abstracts: Shaun Ard (Air Force Research Laboratory, USA)
"Fresh Insights into Two-State Reactivity from a Synergistic Approach: Experimental, Computational, and Statistical"
11:45 am - 11:50 amDiscussion
11:50 am - 12:20 pmBenny Gerber (University of California, Irvine, USA)
"Predicting the Atomistic Structure and Unfolding Dynamics of Charged Proteins in Mass Spectrometry"
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 pmIon Spectroscopy: Theory and Experiment
Discussion Leader: Anne McCoy (University of Washington, USA)
7:30 pm - 7:40 pmIntroduction by Discussion Leader
7:40 pm - 7:50 pmSelected from Poster Abstracts: Adam Trevitt (University of Wollongong, Australia)
"Ultraviolet Photodissociation Action Spectroscopy of Protonated Azabenzenes"
7:50 pm - 7:55 pmDiscussion
7:55 pm - 8:25 pmSteen Nielsen (Aarhus University, Denmark)
"Gas-Phase Spectroscopy of Biomolecular Ions"
8:25 pm - 8:35 pmDiscussion
8:35 pm - 8:45 pmSelected from Poster Abstracts: Zhou Lin (The Ohio State University, USA)
"The Role of Large Amplitude Motions in the Rotation/Torsion Coupling in H5+"
8:45 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmRyan Steele (University of Utah, USA)
"New Ab Initio Approaches to Ion Spectroscopy"
9:20 pm - 9:30 pmDiscussion
Wednesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmIonic Clusters and Applications to Catalysis
Discussion Leader: Peter Armentrout (University of Utah, USA)
9:00 am - 9:10 amIntroduction by Discussion Leader
9:10 am - 9:40 amGereon Niedner-Schatteburg (Technische Universität Kaiserslautern, Germany)
"When Metals Go High Spin"
9:40 am - 9:50 amDiscussion
9:50 am - 10:20 amStuart MacKenzie (Oxford University, United Kingdom)
"Infrared Driven Chemistry on Gas-Phase Clusters"
10:20 am - 10:30 amDiscussion
10:30 am - 10:55 amCoffee Break
10:55 am - 11:25 amCaroline Jarrold (Indiana University, USA)
"Metal Oxide Clusters Anions: Structures and Reactivity"
11:25 am - 11:35 amDiscussion
11:35 am - 11:45 amSelected from Poster Abstracts: Sandra Lang (University of Ulm, Germany)
"Gas Phase Reactions of CaxMnyOz+ Clusters Provide Insight into the Catalytic Water Oxidation in Photosystem II"
11:45 am - 11:50 amDiscussion
11:50 am - 12:20 pmTakayuki Ebata (Hiroshima University, Japan)
"Laser Spectroscopic Study of Cold Gas Phase Functional Molecular Ions Generated by ESI Combined with Cold Ion-Tap"
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 pmHydrogen Bonded Systems: Structure, Reactions and Spectroscopy
Discussion Leader: Martin Beyer (Leopold-Franzens-Universität Innsbruck, Austria)
7:30 pm - 7:40 pmIntroduction by Discussion Leader
7:40 pm - 7:50 pmSelected from Poster Abstracts: Gilles Ohanessian (CNRS, France)
"Modelling of Ion Hydration in Nanodroplets"
7:50 pm - 7:55 pmDiscussion
7:55 pm - 8:25 pmEvan Williams (University of California, Berkeley, USA)
"Ions in Aqueous Nanodrops: New Insights into Ion Hydration"
8:25 pm - 8:35 pmDiscussion
8:35 pm - 8:45 pmSelected from Poster Abstracts: Matias Fagiani (Universität Leipzig, Germany)
"Resolving the Controversy Regarding the Gas Phase Vibrational Spectrum of the Protonated Water Pentamer"
8:45 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmDavid Russell (Texas A&M University, USA)
"The Effects of Hydration on ESI Charge States and Peptide Ion Conformation"
9:20 pm - 9:30 pmDiscussion
Thursday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmReaction Dynamics and Photochemistry
Discussion Leader: Roland Wester (University of Innsbruck, Austria)
9:00 am - 9:10 amIntroduction by Discussion Leader
9:10 am - 9:40 amPhilippe Dugourd (Institut Lumiere Matiere, France)
"Action-FRET: Probing the Conformation of Gas Phase Biomolecular Ions by Forster Resonance Energy Transfer"
9:40 am - 9:50 amDiscussion
9:50 am - 10:20 amMichael Duncan (University of Georgia, USA)
"Photodissociation Spectroscopy and Dynamics of Small Organic Cations"
10:20 am - 10:30 amDiscussion
10:30 am - 10:55 amCoffee Break
10:55 am - 11:25 amWilliam Hase (Texas Tech University, USA)
"Surprising Atomistic Dynamics in Simulations of SN2 Nucleophilic Substitution and Collision-Induced Dissociation (CID)"
11:25 am - 11:35 amDiscussion
11:35 am - 11:45 amSelected from Poster Abstracts: Chi-Kit Siu (City University of Hong Kong, Hong Kong SAR China)
"Reaction Dynamics of the Mg(II)/Mg(I) Couple Toward Carbon Dioxide: Theoretical Insights from a Water Cluster in the Gas Phase"
11:45 am - 11:50 amDiscussion
11:50 am - 12:20 pmJan Verlet (Durham University, United Kingdom)
"Dynamics of Anions Studied by Time-Resolved Photoelectron Imaging"
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 pmKeynote Session: Reflections, Perspectives and Opportunities
Discussion Leader: Veronica Bierbaum (University of Colorado Boulder, USA)
7:30 pm - 7:40 pmGrant Johnson (Pacific Northwest National Laboratory, USA)
"Investigating the Synthesis, Stability, and Immobilization on Surfaces of Ligated Gold Clusters"
7:40 pm - 7:45 pmDiscussion
7:45 pm - 8:00 pmIntroduction by Discussion Leader
8:00 pm - 9:00 pmCarl Lineberger (Joint Institute for Lab Astrophysics, University of Colorado Boulder, USA)
"Anion Photodetachment Spectroscopies: Some Reflections and a Bright Future"
9:00 pm - 9:15 pmDiscussion
9:15 pm - 9:30 pmClosing Remarks
Friday
7:30 am - 8:30 amBreakfast
9:00 amDeparture
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