ThOA pm 03:50 Instantaneous Determination of Cocoa Content and Cocoa Bean origin of Commercial Products with Rapid Evaporative Ionization Mass Spectrometry; Julia Balog1, 2; Richard Schäffer1; Tamas Juhasz1; Tamas Karancsi1; Steven D Pringle3; Zoltan Takats2; 1Waters Research Centre, Budapest, Hungary; 2Imperial College London, London, United Kingdom; 3Waters, Wilmslow, United Kingdom
ThOA pm 04:10 Classification of Olive Oils using Direct Analysis Atmospheric Pressure Chemical Ionization-Mass Spectrometry; Pilar Perez-Hurtado1; Amy Giles1; Mark Allen2; Lourdes Arce3; Matthew Turner1; Jim Reynolds4; 1Loughborough University, Loughborough, United Kingdom; 2Advion UK Ltd, Essex, United Kingdom; 3Universidad de Cordoba, Cordoba, SPAIN; 4Loughborough University, Loughborough, Leicestershire
2:30-4:30 pm THURSDAY
FUNDAMENTALS: ION ACTIVATION AND DISSOCIATION Arpad Somogyi (The Ohio State University)
Room 221, level 2
ThOB pm 02:30 Charge Transfer Dissociation (CTD): High Energy Radical Fragmentation of Glycans, Peptides and Lipids; Glen Paul Jackson1; Iris Kreft1; Pengfei Li1; David Ropartz2; Hélène Rogniaux2; 1West Virginia University, Morgantown, WV; 2INRA, UR1268 Biopolymers Interactions Assemblies Nantes, France
ThOB pm 02:50 Improvement of Hydrogen Attachment/
Abstraction Dissociation (HAD) Efficiency for Low-Charged Peptides using Supplemental Activation; Hidenori TakahashI1; Sadanori Sekiya1; Takashi Nishikaze1; Shosei Yamauchi1; Shinichi Iwamoto1; Motoi Wada2; Koichi Tanaka1; 1Shimadzu Corporation, Kyoto, Japan; 2Doshisha University, Kyotanabe, Japan
ThOB pm 03:10 Conformational Effects on the Dissociation Kinetics of Proton-Bound Heterodimer Ions:
Applications to Gas-Phase Acidities of Alkanols;
Kent M. Ervin1; Jerry G Lanorio1; Surja B Ghale2; Alex A Nickel2; 1University of Nevada, Reno, Reno, NV; 2University of Nevada, Reno Reno, NV ThOB pm 03:30 Mobile C-H Protons in a Proton Deficient
Peptide; Damodar Koirala1; Paul G Wenthold2;
1Purdue University, West lafayette, IN; 2Purdue University, West Lafayette, IN
ThOB pm 03:50 Tandem MS of Synthetic Nanoparticles through Analysis of Metastable Fragments using MALDI-TOF MS with Superconducting Tunnel Junction Cryodetection; Logan D Plath1; Chenjie Zeng1; Yuxiang Chen1; Rongchao Jin1; Mark E Bier1;
1Carnegie Mellon University, Pittsburgh, PA ThOB pm 04:10 Ultraviolet Photodissociation in a Full-Featured
Proteomics Search Engine; Christopher Becker1; Yong J Kil1; Marshall W. Bern1; Sylvester M Greer2; Jennifer S Brodbelt2; 1Protein Metrics, San Carlos, CA; 2University of Texas at Austin, Austin, TX
2:30-4:30 pm THURSDAY
MS SOLUTIONS FOR DRUG METABOLISM CHALLENGES Yang Yuan (Dupont Crop Protection)
Stars Ballroom 1, level 3
ThOC pm 02:30 Direct and Accurate Quantitation of Labeled and Un-labeled Ion Species from High Resolution LC/MS Data; Peter L Wang1; Dawei Zhou1; Xinping Fang1; MING GU2; Yongdong Wang3; Jeff S.
Andrews3; 1XenoBiotic Laboratories, Inc. WuXi
AppTec Inc Plainsboro, NJ; 2Cerno Bioscience, Yardley, PA; 3Cerno Bioscience, Norwalk, CT ThOC pm 02:50 Understanding the Metabolism of Protein and
Peptide Therapeutics by Developing a Top-Down Protein Metabolite Identification Platform; Xiang Yu1; Arthur Fridman1; Kristen A Kwasnjuk1; Ping Lu1; Zhiling Li1; Sherrie Xu1; Ansu Bagchi1; Mark T Cancilla1; 1Merck & Co., West Point, PA
ThOC pm 03:10 Utilizing Tandem Mass Spectrometry for the Identification of Primary and Secondary Sulfonamide Functionalities in Protonated Analytes via Ion/Molecule Reactions; John Kong1; Ravikiran Yerabolu1; Huaming Sheng1; Weijuan Tang1; Raghavendhar Kotha1; Chungang Gu2; Hilkka Kenttämaa1; 1Purdue University, West Lafayette, IN;
2AstraZeneca, Boston, MA
ThOC pm 03:30 Software Aided Integrated Workflow for Identification of Metabolic “Soft-spots” of Macromolecular Peptides in Drug Discovery;
Asoka Ranasinghe1; Serhiy Hnatyshyn1; Eugene Ciccimaro1; Celia D’Arienzo1; Timothy Olah1; Marshall M Siegel2; Gary Walker2; 1Bristol-Myers Squibb Company, Princeton, NJ; 2MS Mass Spec Consultants, Fair Lawn, NJ
ThOC pm 03:50 Toward Intact Protein Mass Spectrometry for Metabolism, Pharmacokinetic, and Toxicokinetic Study Support: Immunocapture LC-MS Methods for AlbudAb and mAb Biotherapeutics; John Kellie; GSK, King of Prussia, PA
ThOC pm 04:10 Novel and Widely-Applicable Platform to Uncover Pharmacologically Active Metabolites Using Metabolic Biotransformation, Affinity Selection-Mass Spectrometry, and 2D NMR Technique; Xianshu Yang1; Ian W Knemeyer1; Chad Chamberlin1; Peter J Dandliker1; Ting Zhang2; Yong Liu2; Gary E Martin2; Huifang Yao2; Jackie Shang3; Randal M Bugianesi3; Kenneth P Ellsworth3; Lisa M Sonatore3; Peter Nizner3; Edward C Sherer2; Susan E Hill1; Wayne M Geissler3; Roy Helmy2; Harold B Wood2; 1Merck & Co., Boston, MA; 2Merck, Darmstadt, Germany; 3Merck & Co, Kenilworth, NJ
2:30-4:30 pm THURSDAY
AMBIENT IONIzATION: INSTRUMENTATION & APPLICATIONS Nicholas Brunelli (The Ohio State University)
Stars Ballroom 2-3, level 3 ThOD pm 02:30 Coupling Electrochemistry with Probe
Electrospray Ionization Mass Spectrometry (PESI-MS); Yi Cai1; Hao Chen1; 1Ohio University, Athens, OH
ThOD pm 02:50 Fundamental Studies of Inlet Ionization with Sample Introduction at Atmospheric Pressure;
Sarah Trimpin1; Stephan Rauschenbach2; I-Chung Lu3; Casey Foley3; 1Wayne State University , Detroit, MI; 2Max-Planck-Institute for Solid State Research, Stuttgart, Germany; 3Wayne State University, Detroit, MI
ThOD pm 03:10 Successful Direct SPME-DBDI Coupling for Rapid, Ultrasensitive and Non-Chromatographic Analysis of Pesticides and Illicit Drugs in Complex Matrices; Mario Francesco Mirabelli1; Emanuela Gionfriddo2; Janusz Pawliszyn2; Renato Zenobi1; 1ETH Zurich, Zürich, Switzerland;
2University of Waterloo, Waterloo ON, Canada ThOD pm 03:30 Direct Biofluid Analysis using Hydrophobic
Paper Spray Mass Spectrometry; Deidre Damon1; Abraham Badu-Tawiah2; 1The Ohio State University, Columbus, OH; 2The Ohio State University, Columbus, Ohio
THURSDAY AFTERNOON ORAL SESSIONS
ThOD pm 03:50 Back to Basics - Redesigning the DESI Sprayer for Optimal Performance in Biological Tissue Imaging; Jocelyn Tillner1; James McKenzie1; Emrys A Jones2, 1; Steven D Pringle2; Tamas Karancsi2; Anna Mroz1; Dipa Gurung1; Josephine Bunch3; Ian Gilmore3; Zoltan Takats1; 1Imperial College, London, United Kingdom; 2Waters, Manchester, United Kingdom; 3National Physical Laboratory, Teddington, United Kingdom
ThOD pm 04:10 Fast SAWN MS Assay for Art Restoration and Conservationstudies; Garry Corthals1; Alina Astefanei2; Petra J Jansen2; Maarten R van Bommel2; Erik Nilsson3; Gloria Yen3; 1University of Amsterdam, Amsterdam, ZH; 2University of Amsterdam, Amsterdam, The Netherlands; 3Deurion LLC, Seattle, WA
2:30-4:30 pm THURSDAY
BIOMARKERS: QUANTITATIVE ANALYSIS Matthew M. Champion (University of Notre Dame)
Stars Ballroom 4, level 3
ThOE pm 02:30 Disrupted Stoichiometric Relationships as Biomarkers of Altered Cellular States; Marija Buljan1; Tiannan Guo1; Qing Zhong2; Ulrich Wagner2; Li Li3; Andreas Beyer3; Peter Wild2; Ruedi Aebersold1; 1Institute of Molecular Systems Biology ETH Zurich, Zurich, Switzerland; 2Institute of Surgical Pathology, University Hospital Zurich, Zurich, Switzerland; 3University of Cologne, Cologne, Germany
ThOE pm 02:50 Understanding Biological Heterogeneity through Mass Cytometry; Jennifer Frahm1; Christina Loh2; Tad George2; Mark Konrad1; Olga Ornastsky2; Daniel Majonis2; Andrei Terekidi2; Gary Impey2; 1Fluidigm Corporation, South San Francisco, CA USA;
2Fluidigm Canada Inc., Markham, CANADA ThOE pm 03:10 Antibody-Independent, Deep-Dive Targeted
Quantification of Proteins at Ten Picogram per Milliliter Levels in Non-Depleted Human Serum/
Plasma; Song Nie1; Tujin Shi1; Thomas Fillmore1; Yuqian Gao1; Athena A Shepmoes1; Heather Brewer1; Wei-jun Qian1; Karin D Rodland1; Richard D Smith1; Tao Liu1; 1Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA ThOE pm 03:30 Mass Spectrometry Based Identification and
Quantitation of Maturation Stage Specific Surface Markers of Human Stem Cell Derived Cardiomyocytes; Matthew Waas1; Erin Kropp1; Alyssa Nycz1; Chelsea Fujinaka1; Rebekah Gundry1;
1Medical College of Wisconsin, Milwaukee, WI ThOE pm 03:50 Discovery and Quantitative Metabolomics to
Characterize Metabolites of Bacterial Origin as Biomarkers for Cystic Fibrosis; Jace W Jones1; Angela Nguyen1; Bennett Giardina1; Luke Brewer1; Angela Wilks1; Amanda Oglesby-Sherrouse1; Maureen Kane1; 1University of Maryland, School of Pharmacy Baltimore, MD
ThOE pm 04:10 Quantifying Concentrations of Molecules in Live Single Cells using the Single-probe MS Technique; Ning Pan1; Wei Rao1; Haiqing Yu1; Naga Rama Kothapalli1; Mei Sun1; Anthony Burgett1; Zhibo Yang1; 1University of Oklahoma, Dept. of Chem &
Biochem Norman, OK
2:30-4:30 pm THURSDAY
INFORMATICS: PEPTIDE AND PROTEIN IDENTIFICATION Natalie Castellana (Digital Proteomics LLC)
Hemisfair Ballroom 3, level 3 ThOF pm 02:30 A Graph-based Method for Proteoform
Identification and Quantification by Top-down Multiplexed Tandem Mass Spectra; Zhu Kaiyuan1; Xiaowen Liu2; 1Indiana University, Bloomington, IN;
2Indianapolis, IN
ThOF pm 02:50 High Quality Estimation of False Discovery Rate for Proteoform Identification with Top Down Proteomics; Richard Leduc1; Daniel Shams2,
3; Ryan T Fellers1; Bryan Early1; Joseph Greer1; David Schwab3; Neil L Kelleher1, 4, 5, 6; 1Proteomics Center of Excellence, Northwestern University, Evanston, IL; 2Interdisciplinary Biological Sciences, Northwestern University, Evanston, IL; 3Department of Physics and Astronomy, Northwestern University, Evanston, IL; 4Chemistry of Life Processes Institute, Northwestern University, Evanston, IL; 5Department of Chemistry, Northwestern University, Evanston, IL;
6Department of Molecular Biosciences, Northwestern University, Evanston, IL
ThOF pm 03:10 Open-pNovo: de novo Peptide Sequencing with Thousands Types of Protein Modifications; Hao Yang1; Hao Chi1; Wen-Jing Zhou1; Wen-Feng Zeng1; Kun He1; Chao Liu1; Rui-Xiang Sun1; Si-Min He1;
1Institute of Computing Technology, CAS, Beijing, China
ThOF pm 03:30 Optimized Open Modification Spectral Library Searching using Approximate Nearest Neighbor Techniques; Wout Bittremieux1; Dirk Valkenborg2; Kris Laukens3; 1University of Antwerp, Antwerp;
2VITO, Mol, Belgium; 3University of Antwerp, Antwerp, Belgium
ThOF pm 03:50 Sifting through Swarms of Spectra: Lessons Learned Identifying Proteins across 11,782 Affinity-Purification Mass Spectrometry Analyses; Edward L. Huttlin1; Joao A Paulo1; Raphael J. Bruckner1; Lily Ting1; Wade Harper1; Steven P Gygi1; 1Harvard Medical School, Boston, MA ThOF pm 04:10 Building Comprehensive Peptide Spectral
Libraries at Repository Scale; Mingxun Wang1; Jian Wang1; Anne-Claude Gingras2; Nuno Bandeira1;
1UCSD, San Diego, CA; 2Lunenfeld Tanenbaum Research Institute, Toronto, Canada
2:30-4:30 pm THURSDAY
LIPIDOMICS: NEW MS TECHNOLOGIES AND APPLICATIONS Daniel Amador-Noguez (University of Wisconsin-Madison)
Hemisfair Ballroom 2, level 3
ThOG pm 02:30 A Quantitative Positive/Negative Ion Switching Method for Shotgun Lipidomics via High Resolution LC-MS/MS from any Biological Source; Min Yuan1; Ying Xu1; Susanne Breitkopf1; Stephane Ricoult2; John M Asara1; 1Beth Israel Deaconess Medical Center, Boston, MA; 2Harvard School of Public Health, Boston, MA
ThOG pm 02:50 Lipidomic Imaging with a New Hybrid 3D SIMS Molecular Imaging Instrument; Melissa K PassarellI1; Alexander Pirkl2; Rudolf Moellers2; Ewald Niehuis2; Alexander A Makarov3; Henrik Arlinghaus2; Rasmus Havelund1; Paulina Rakowska1; Alan Race1; Alex Shard1; Andy West4; Stevan Horning3; Peter Marshall4; Morgan Alexander5; Colin Dollery4; Ian Gilmore1; 1National Physical Laboratory, Teddington, United Kingdom; 2ION-TOF GmbH, Munster, Germany; 3Thermo Fisher Scientific, Bremen, DE;
4GlaxoSmithKline, Stevenage, UK; 5University of Nottingham, Nottingham, UK
GENERAL INFORMATION
THURSDAY AFTERNOON ORAL SESSIONS
ThOG pm 03:10 Electron-induced Dissociation (EID) of Lipids: Diagnostic Product Ions for Confident Identification of Isomers; Jace W. Jones1; Claire Louise Carter1; Maureen A Kane1; 1University of Maryland, School of Pharmacy Baltimore, MD ThOG pm 03:30 Broad Characterization of Isomeric Lipids by High-Resolution Differential Ion Mobility Separations with Tandem Mass Spectrometry;
Rinat R Abzalimov1; Andrew Bowman2; Alexandre A Shvartsburg2; 1City University of New York - Advanced Science Research Center, New York City, NY; 2Wichita State University, Wichita, KS
ThOG pm 03:50 Nano-DESI Imaging of Lipids and Metabolites in Developing Lung; Son N. Nguyen1; Ryan L Sontag1; Jennifer E Kyle1; Sydney E Dautel1; Thomas O Metz1; Richard A Corley1; Charles K Ansong1; Mathew Thomas1; James Carson2; Julia Laskin1; 1Pacific Northwest National Laboratory, Richland, WA; 2University of Texas at Austin, Austin, ThOG pm 04:10 TXIn depth Sphingomyelin and Triacylglycerol
Structure Identification using Electron Impact Excitation of Ions from Organics (EIEIO) and Mass Spectrometry; Takashi Baba1; Larry J Campbell1; Yves J C LeBlanc1; Paul RS Baker2;
1SCIEX, Concord ON, Canada; 2SCIEX, Redwood City, CA
2:30-4:30 pm THURSDAY
HYDROGEN-DEUTERIUM EXCHANGE MS Sheena D’Arcy (University of Texas at Dallas)
Hemisfair Ballroom 1, level 3
ThOH pm 02:30 HX-MS Epitope Mapping of a Ricin Toxin Chain A Double Mutant (RTA*); Ronald Toth1; Siva Krishna Angalakurthi1; John Hickey1; Sangeeta Joshi1; Charles Russell Middaugh1; Greta Van Slyke2; Nicholas Mantis2, 3; David Volkin1; David Weis4; 1Department of Pharmaceutical Chemistry and Macromolecule and Vaccine Stabilization Center; University of Kansas, Lawrence, KS;
2Division of Infectious Disease, Wadsworth Center, New York State Department of Health, Albany, NY;
3Department of Biomedical Sciences, University at Albany School of Public Health, Albany, NY;
4Department of Chemistry and R. N. Adams Institute for Bioanalytical Chemistry; University of Kansas, Lawrence, KS
ThOH pm 02:50 The Role of Conformational Dynamics in Differing Activity and Substrate Specificity amongst Isozymes; Andrew Fairman1; Peter Sidhu1; David Josephy2; Derek Wilson1; 1York University, Toronto, Canada; 2University of Guelph, Guelph, Canada
ThOH pm 03:10 Structural basis for the formation and function of the complement effector protein iC3b; Malvina Papanastasiou1; Sophia Koutsogiannaki1; Yiannis Sarigiannis1; Daniel Ricklin1; John D. Lambris1;
1Dept. Pathology & Lab. Medicine, Perelman School of Medicine, UPENN, Philadelphia, PA
ThOH pm 03:30 A New Automation Platform Provides Significant Improvements in Both the Capacity and
Flexibility of the HDX-MS Experiment; Ruben Haro1; Alfonso Espada1; Manuel Molina-Martin1; Jesus Castanon1; Bruce D Pascal2; Pat Griffin2; Jeffrey A Dodge3; Michael Chalmers3; 1Eli Lilly and Company, Alcobendas, SPAIN; 2The Scripps Research Institute, Jupiter, Fl; 3Eli Lilly and Company, Indianapolis, IN
ThOH pm 03:50 Intramolecular Interactions in Heme
Oxygenase 2 in the Presence and Absence of Lipid Membranes; Brent A Kochert1; Angela S Fleischhacker2; Stephen W Ragsdale2; John R Engen1; 1Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA;
2Department of Chemistry, University of Michigan, Ann Arbor, MI
ThOH pm 04:10 The Analytical Potential of HDXMS in Providing Localized Structural Dynamics Insight to Each Subunits of an Asymmetric Non-Crystallizable Protein Homodimer; Morten Beck Trelle1; Alice Østergaard2; Jeppe Buur Madsen1; Shona Pedersen2; Søren Risom Kristensen2; Thomas J.D. Jørgensen1; 1University of Southern Denmark, Odense, Denmark; 2Department of Clinical Medicine, Aalborg University Hospital, Aalborg, Denmark, Ålborg, Denmark
4:45 - 5:00 PM PLENARY LECTURE
Vicki Wysocki (The Ohio State University) presiding Hall 1, level 1
More than the Sum of its Parts: Collective Phenomena in Living Systems, from Single Molecules to Flocks of Birds
William Bialek Princeton University
6:30 – 9:00 PM, THURSDAY CLOSING EVENT
BRISCOE WESTERN ART MUSEUM Ticket is required.