Publications

The list of my publications below includes links to the articles on the publishers' web sites. A subscription to the on-line journal is required to view the full text of an article.

Note, that in addition to the peer-reviewed papers listed
below, a list of selected recent conference papers can be found
 here.

Find papers below by year:

Recommendations for Reporting Ion Mobility Mass Spectrometry Measurements
Valérie Gabelica et al.
Mass Spectrom. Rev. 2019, 38, 291–320

A New Instrument with High Mass and High Ion Mobility Resolution
Thomas Wyttenbach, Paul R. Kemper, Gökhan Baykut, Melvin A. Park, Michael T. Bowers
Int. J. Mass Spectrom. 2018, 434, 108–115

A New Algorithm to Characterise the Degree of Concaveness of a Molecular Surface Relevant in Ion Mobility Spectrometry
Thomas Wyttenbach, Christian Bleiholder, Stanley E. Anderson, Michael T. Bowers
Mol. Phys. 2015, 113, 2344–2349 ................................. Preprint

Molecular Structures and Ion Mobility Cross Sections: Analysis of the Effects of He and N2 Buffer Gas
Christian Bleiholder, Nicholas R. Johnson, Stephanie Contreras, Thomas Wyttenbach, Michael T. Bowers
Anal. Chem. 2015, 87, 7196–7203

An Atomistic Structure of Ubiquitin +13 Relevant in Mass Spectrometry: Theoretical Prediction and Comparison with Experimental Cross Sections
Moshe Goldstein, Liron Zmiri, Elad Segev, Thomas Wyttenbach, and R. Benny Gerber
Int. J. Mass Spectrom. 2014, 367, 10-15

Ion Mobility Analysis of Molecular Dynamics
Thomas Wyttenbach, Nicholas A. Pierson, David E. Clemmer, and Michael T. Bowers
Annu. Rev. Phys. Chem. 2014, 65, 175-196

Formation of Functionalized Nanowires by Control of Self-Assembly Using Multiple Modified Amyloid Peptides
Hiroki Sakai, Ken Watanabe, Yuya Asanomi, Yumiko Kobayashi, Yoshiro Chuman, Lihong Shi, Takuya Masuda, Thomas Wyttenbach, Michael T. Bowers, Kohei Uosaki, and Kazuyasu Sakaguchi
Adv. Funct. Mater. 2013, 23, 4881-4887

Factors Contributing to the Collision Cross Section of Polyatomic Ions in the Kilodalton to Gigadalton Range: Application to Ion Mobility Measurements
Thomas Wyttenbach, Christian Bleiholder, and Michael T. Bowers
Anal. Chem. 2013, 85, 2191-2199

Structural Stability from Solution to the Gas Phase: Native Solution
Structure of Ubiquitin Survives Analysis in a Solvent-Free Ion
Mobility Mass Spectrometry Environment

Thomas Wyttenbach and Michael T. Bowers
J. Phys. Chem. B 2011, 115, 12266–12275

A Novel Projection Approximation Algorithm for the Fast and Accurate Computation of Molecular Collision Cross Sections (I). Method
Christian Bleiholder, Thomas Wyttenbach, and Michael T. Bowers
Int. J. Mass Spectrom. 2011, 308, 1-10

Ion Mobility-Mass Spectrometry Reveals a Conformational Conversion from Random Assembly to β-Sheet in Amyloid Fibril Formation
Christian Bleiholder, Nicholas F. Dupuis, Thomas Wyttenbach, and Michael T. Bowers
Nat. Chem. 2011, 3, 172–177

Developments in Ion Mobility: Theory, Instrumentation, and Applications
Thomas Wyttenbach, Jennifer Gidden, and Michael T. Bowers
In: Ion Mobility Spectrometry-Mass Spectrometry, C. L. Wilkins, S. Trimpin (eds.), Boca Raton, CRC Press, 2011, pp. 3-30

Conformational Stability of Syrian Hamster Prion Protein
PrP(90-231)

Megan Grabenauer, Thomas Wyttenbach, Narinder Sanghera, Susan E. Slade, Teresa J. T. Pinheiro, James H. Scrivens, and Michael T. Bowers
J. Am. Chem. Soc. 2010, 132, 8816-8818

Structural Analysis of Prion Proteins by Means of Drift Cell and Traveling Wave Ion Mobility Mass Spectrometry
Gillian R. Hilton, Konstantinos Thalassinos, Megan Grabenauer, Narinder Sanghera, Susan E. Slade, Thomas Wyttenbach, Philip J. Robinson, Teresa J.T. Pinheiro, Michael T. Bowers, and James H. Scrivens
J. Am. Soc. Mass Spectrom. 2010, 21, 845-854

The Effect of Calcium Ions and Peptide Ligands on the Relative Stabilities of the Calmodulin Dumbbell and Compact Structures
Thomas Wyttenbach, Megan Grabenauer, Konstantinos Thalassinos, James H. Scrivens, and Michael T. Bowers
J. Phys. Chem. B 2010, 114, 437-447

Hydration of Biomolecules
Thomas Wyttenbach and Michael T. Bowers
Chem. Phys. Lett. 2009, 480, 1-16 ......................... Journal Cover

Systematic Study of the Structures of Potassiated Tertiary Amino Acids: Salt Bridge Structures Dominate
Miriam K. Drayss, Dirk Blunk, Jos Oomens, Bing Gao, Thomas Wyttenbach, Michael T. Bowers, and Mathias Schaefer
J. Phys. Chem. A 2009, 113, 9543-9550

Protonated Arginine and Protonated Lysine: Hydration and Its Effect on the Stability of Salt-Bridge Structures
Bing Gao, Thomas Wyttenbach, and Michael T. Bowers
J. Phys. Chem. B 2009, 113, 9995-10000

Amyloid-β Protein Oligomerization and the Importance of Tetramers and Dodecamers in the Aetiology of Alzheimer's Disease
Summer L. Bernstein, Nicholas F. Dupuis, Noel D. Lazo, Thomas Wyttenbach, Margaret M. Condron, Gal Bitan, David B. Teplow, Joan-Emma Shea, Brandon T. Ruotolo, Carol V. Robinson, and Michael T. Bowers
Nat. Chem. 2009, 1, 326-331 ............................. News and Views

Amyloid β-Protein: Experiment and Theory on the 21-30 Fragment
Megan M. Murray, Mary Griffin Krone, Summer L. Bernstein, Andrij Baumketner, Margaret M. Condron, Noel D. Lazo, David B. Teplow, Thomas Wyttenbach, Joan-Emma Shea, and Michael T. Bowers
J. Phys. Chem. B 2009, 113, 6041-6046

Hydration of Protonated Aromatic Amino Acids: Phenylalanine, Tryptophan, and Tyrosine
Bing Gao, Thomas Wyttenbach and Michael T. Bowers
J. Am. Chem. Soc. 2009, 131, 4695-4701

Gas-Phase Structures of Solution-Phase Zwitterions: Charge Solvation or Salt Bridge?
Miriam K. Drayss, Dirk Blunk, Jos Oomens, Nick Polfer, Carsten Schmuck, Bing Gao, Thomas Wyttenbach, Michael T. Bowers, and Mathias Schaefer
Int. J. Mass Spectrom. 2009, 281, 97-100

Spermine Binding to Parkinson's Protein α-Synuclein and Its Disease-Related A30P and A53T Mutants
Megan Grabenauer, Summer L. Bernstein, Jennifer C. Lee, Thomas Wyttenbach, Nicholas F. Dupuis, Harry B. Gray, Jay R. Winkler, and Michael T. Bowers
J. Phys. Chem. B 2008, 112, 11147-11154

Effects of Familial Alzheimer's Disease Mutations on the Folding Nucleation of the Amyloid β-Protein
Mary Griffin Krone, Andrij Baumketner, Summer L. Bernstein, Thomas Wyttenbach, Noel D. Lazo, David B. Teplow, Michael T. Bowers, and Joan-Emma Shea
J. Mol. Biol. 2008, 381, 221-228

Conformational Evolution of Ubiquitin Ions in Electrospray Mass Spectrometry: Molecular Dynamics Simulations at Gradually Increasing Temperatures
Elad Segev, Thomas Wyttenbach, Michael T. Bowers and R. Benny Gerber
Phys. Chem. Chem. Phys. 2008, 10, 3077-3082 ...................... Note

Interactions of the Hormone Oxytocin with Divalent Metal Ions
Thomas Wyttenbach, Dengfeng Liu, and Michael T. Bowers
J. Am. Chem. Soc. 2008, 130, 5993-6000

Intermolecular Interactions in Biomolecular Systems Examined by Mass Spectrometry
Thomas Wyttenbach and Michael T. Bowers
Annu. Rev. Phys. Chem. 2007, 58, 511-533

Hydration of Mononucleotides
Dengfeng Liu, Thomas Wyttenbach, and Michael T. Bowers
J. Am. Chem. Soc. 2006, 128, 15155-15163

Elucidating Amyloid β-Protein Folding and Assembly: A Multidisciplinary Approach
David B. Teplow, Noel D. Lazo, Gal Bitan, Summer Bernstein, Thomas Wyttenbach, Michael T. Bowers, Andrij Baumketner, Joan-Emma Shea, Brigita Urbanc, Luis Cruz, Jose Borreguero, and H. Eugene Stanley
Acc. Chem. Res. 2006, 39, 635-645

Structure of the 21-30 Fragment of Amyloid β-Protein
Andrij Baumketner, Summer L. Bernstein, Thomas Wyttenbach, Noel D. Lazo, David B. Teplow, Michael T. Bowers, and Joan-Emma Shea
Protein Sci. 2006, 15, 1239-1247

Amyloid β-Protein Monomer Structure: A Computational and Experimental Study
Andrij Baumketner, Summer L. Bernstein, Thomas Wyttenbach, Gal Bitan, David B. Teplow, Michael T. Bowers, and Joan-Emma Shea
Protein Sci. 2006, 15, 420-428

Amyloid β-Protein: Monomer Structure and Early Aggregation States of Aβ42 and its Pro19 Alloform
Summer L. Bernstein, Thomas Wyttenbach, Andrij Baumketner, Joan-Emma Shea, Gal Bitan, David B. Teplow, and Michael T. Bowers
J. Am. Chem. Soc. 2005, 127, 2075-2084

Oxytocin-Receptor Binding: Why Divalent Metals Are Essential
Dengfeng Liu, Alexandra B. Seuthe, Oli T. Ehrler , Xiaohua Zhang, Thomas Wyttenbach, Jeffrey F. Hsu, and Michael T. Bowers

J. Am. Chem. Soc. 2005, 127, 2024-2025

Hydration of small peptides
Thomas Wyttenbach, Dengfeng Liu and Michael T. Bowers
Int. J. Mass Spectrom. 2005, 240, 221-232

α-Synuclein: Stable Compact and Extended Monomeric Structures and pH Dependence of Dimer Formation
Summer L. Bernstein, Dengfeng Liu, Thomas Wyttenbach, Michael T. Bowers, Jennifer C. Lee, Harry B. Gray, and Jay R. Winkler
J. Am. Soc. Mass Spectrom. 2004, 15, 1435–1443

Hydration of Protonated Primary Amines: Effects of Intermolecular and Intramolecular Hydrogen Bonds
Dengfeng Liu, Thomas Wyttenbach, and Michael T. Bowers
Int. J. Mass Spectrom. 2004, 236, 81-90

The Ion Mobility Mass Spectrometry Method and Its Application to Duplex Formation of Oligonucleotides and Aggregation of Proteins
Thomas Wyttenbach, Erin Shammel Baker, Summer L. Bernstein, Alessandra Ferzoco, Jennifer Gidden, Dengfeng Liu, and Michael T. Bowers
In: Advances in Mass Spectrometry, A. E. Ashcroft, G. Brenton, J. J. Monaghan (eds.), Amsterdam, Elsevier, 2004, Vol. 16, pp. 189-200

Investigation of Noncovalent Interactions in Deprotonated Peptides: Structural and Energetic Competition between Aggregation and Hydration
Dengfeng Liu, Thomas Wyttenbach, Catherine J. Carpenter, and Michael T. Bowers
J. Am. Chem. Soc. 2004, 126, 3261-3270

The Effect of the Initial Water of Hydration on the Energetics, Structures, and H/D Exchange Mechanism of a Family of Pentapeptides: An Experimental and Theoretical Study
Thomas Wyttenbach, Béla Paizs, Perdita Barran, Linda Breci, Dengfeng Liu, Sándor Suhai, Vicki H. Wysocki, and Michael T. Bowers
J. Am. Chem. Soc. 2003, 125, 13768-13775

Gas-Phase Conformations: The Ion Mobility/Ion Chromatography Method
Thomas Wyttenbach and Michael T. Bowers
Top. Curr. Chem. 2003, 225, 207-232

Sequential Hydration of Small Protonated Peptides
Dengfeng Liu, Thomas Wyttenbach, Perdita E. Barran, and Michael T. Bowers
J. Am. Chem. Soc. 2003, 125, 8458-8464

Design of a New Electrospray Ion Mobility Mass Spectrometer
Thomas Wyttenbach, Paul R. Kemper, and Michael T. Bowers
Int. J. Mass Spectrom. 2001, 212, 13-23

Gas-Phase Conformations of Synthetic Polymers: Poly(ethylene glycol), Poly(propylene glycol), and Poly(tetramethylene glycol)
Jennifer Gidden, Thomas Wyttenbach, Anthony T. Jackson, James H. Scrivens, and Michael T. Bowers
J. Am. Chem. Soc. 2000, 122, 4692-4699

On the Stability of Amino Acid Zwitterions in the Gas Phase: The Influence of Derivatization, Proton Affinity, and Alkali Ion Addition
Thomas Wyttenbach, Matthias Witt, and Michael T. Bowers
J. Am. Chem. Soc. 2000, 122, 3458-3464

Conformations of Biopolymers in the Gas Phase: A New Mass Spectrometric Method
Andrew C. Gill, Keith R. Jennings, Thomas Wyttenbach, and Michael T. Bowers
Int. J. Mass Spectrom. 2000, 195/196, 685-697

Host/Guest Conformations of Biological Systems: Valinomycin/Alkali Ions
Thomas Wyttenbach, Joseph J. Batka Jr., Jennifer Gidden, and Michael T. Bowers
Int. J. Mass Spectrom. 1999, 193, 143-152

Poly (Ethylene Terephthalate) Oligomers Cationized by Alkali Ions: Structures, Energetics, and Their Effects on Mass Spectra and the Matrix-Assisted Laser Desorption/Ionization Process
Jennifer Gidden, Thomas Wyttenbach, Joseph J. Batka, Patrick Weis, Anthony T. Jackson, James H. Scrivens, and Michael T. Bowers
J. Am. Soc. Mass Spectrom. 1999, 10, 883-895

On the Question of Salt Bridges of Cationized Amino Acids in the Gas Phase: Glycine and Arginine
Thomas Wyttenbach, Matthias Witt, and Michael T. Bowers
Int. J. Mass Spectrom. 1999, 182/183, 243-252 ..................... Note

Folding Energetics and Dynamics of Macromolecules in the Gas Phase: Alkali Ion-Cationized Poly(ethylene terephthalate) Oligomers
Jennifer Gidden, Thomas Wyttenbach, Joseph J. Batka, Patrick Weis, Anthony T. Jackson, James H. Scrivens, and Michael T. Bowers
J. Am. Chem. Soc. 1999, 121, 1421-1422

Gas Phase Conformations of Biological Molecules: The Hydrogen/ Deuterium Exchange Mechanism
Thomas Wyttenbach and Michael T. Bowers
J. Am. Soc. Mass Spectrom. 1999, 10, 9-14

Energetics and structures of gas phase ions: macromolecules, clusters and ligated transition metals
Michael T. Bowers, Paul R. Kemper, Petra Van Koppen, Thomas Wyttenbach, Catherine J. Carpenter, Patrick Weis, and Jennifer Gidden
In: Energetics of Stable Molecules and Reactive Intermediates, M. E. Minas da Piedade (ed.), Dordrecht, Boston, Kluwer Academic, 1999, pp. 235-258

Salt Bridge Structures in the Absence of Solvent? The Case for the Oligoglycines
Thomas Wyttenbach, John E. Bushnell, and Michael T. Bowers
J. Am. Chem. Soc. 1998, 120, 5098-5103 .............. Supporting Info

Gas Phase Structures of Sodiated Oligosaccharides by Ion Mobility/Ion Chromatography Methods
Seonghoon Lee, Thomas Wyttenbach, and Michael T. Bowers
Int. J. Mass Spectrom. Ion Proc. 1997, 167/168, 605-614

Conformations of Alkali Ion Cationized Polyethers in the Gas Phase: Polyethylene Glycol and Bis[(benzo-15-crown-5)-15-ylmethyl] Pimelate
Thomas Wyttenbach, Gert von Helden, and Michael T. Bowers
Int. J. Mass Spectrom. Ion Proc. 1997, 165/166, 377-390

Effect of the Long-Range Potential on Ion Mobility Measurements
Thomas Wyttenbach, Gert von Helden, Joseph J. Batka, Jr., Douglas Carlat, and Michael T. Bowers
J. Am. Soc. Mass Spectrom. 1997, 8, 275-282

Application of ion mobility/ion chromatography methods to determine gas phase conformations and size distribution of PEG and other polymers
Michael T. Bowers, Thomas Wyttenbach, Joseph J. Batka, Patrick Weis, and Jennifer Gidden
Polymer Preprints 1997, 38, 535-536

Gas-Phase Conformation of Biological Molecules: Bradykinin
Thomas Wyttenbach, Gert von Helden, and Michael T. Bowers
J. Am. Chem. Soc. 1996, 118, 8355-8364

Gas Phase Conformations of Li+, Na+, K+, and Cs+ Complexed with 18-Crown-6
Seonghoon Lee, Thomas Wyttenbach, Gert von Helden, and Michael T. Bowers
J. Am. Chem. Soc. 1995, 117, 10159-10160

Inclusion of a MALDI Ion Source in the Ion Chromatography Technique: Conformational Information on Polymer and Biomolecular Ions
Gert von Helden, Thomas Wyttenbach, and Michael T. Bowers
Int. J. Mass Spectrom. Ion Proc. 1995, 146/147, 349-364

Conformation of Macromolecules in the Gas Phase: Use of Matrix-Assisted Laser Desorption Methods in Ion Chromatography
Gert von Helden, Thomas Wyttenbach, and Michael T. Bowers
Science 1995, 267, 1483-1485

State to State Collisional Quenching of Vibrationally Excited NO+(v) Ions
Thomas Wyttenbach and Michael T. Bowers
J. Phys. Chem. 1993, 97, 9573-9577

Ion-Molecule Reactions of Vibrationally State-Selected NO+ with Small Alkyl Halides
Thomas Wyttenbach and Michael T. Bowers
J. Phys. Chem. 1992, 96, 8920-8929

Radiative Lifetime Measurements of Vibrationally Excited States of NO+(X1S+)
Thomas Wyttenbach, Cindy G. Beggs, and Michael T. Bowers
In: Fundamentals of gas phase ion chemistry, Keith R. Jennings (ed.), Dordrecht, Boston, Kluwer Academic, 1991, pp. 226-8

Radiative Lifetime Measurements of Vibrationally Excited States of NO+(X1S+)
Thomas Wyttenbach, Cindy G. Beggs, and Michael T. Bowers
Chem. Phys. Lett. 1991, 177, 239-246

A New Instrument for Measuring the Radiative Lifetimes and for Studying the State-Selected Bimolecular Reaction Chemistry of Small Ionic Species
Cindy G. Beggs, Chau-Hong Kuo, Thomas Wyttenbach, Paul R. Kemper, and Michael T. Bowers
Int. J. Mass Spectrom. Ion Proc. 1990, 100, 397-422

Radiative Lifetimes of Metastable O2+(a4Pu) and NO+(a3S+)
Chau-Hong Kuo, Thomas Wyttenbach, Cindy G. Beggs, Paul R. Kemper, and Michael T. Bowers
J. Chem. Phys. 1990, 92, 4849-4855

Characterization of the gas phase bromocyanogen cation with laser-excited fluorescence spectroscopy
M. A. Hanratty, M. Rosslein, F. G. Celii, T. Wyttenbach, and J. P. Maier
In: Advances in Laser Science, J. L. Gole (ed.), New York, Am. Inst. Phys., 1989, Vol. 4, pp.494-6

Two-Photon Absorption Spectroscopy of Ion Beams: CO2+ C2Sg+ State Characterisation
T. Wyttenbach, D.D. Evard, and J.P. Maier
J. Chem. Phys. 1989, 90, 4645

Two-Photon Absorption Spectroscopy of Ion Beams: CS2+ C2Sg+ State Characterisation
D.D. Evard, T. Wyttenbach, and J.P. Maier
J. Phys. Chem. 1989, 93, 3522

Two-Photon Absorption Spectroscopy of Mass-selected Ions: N2O+ and CS2+
P.O. Danis, T. Wyttenbach, and J.P. Maier
J. Chem. Phys. 1988, 88, 3451

Recent Developments in Studies of Open-shell Cations via their Electronic Transitions
F.G. Celli, P.O. Danis, D. Forney, M. Rösslein, T. Wyttenbach, and J.P. Maier
In:The Structure of Small Molecules and Ions, R. Naaman and Z. Vager (eds.), New York, Plenum, 1988, pp. 335-41

The B2P3/2 <- X2P3/2 Laser Excitation Spectrum of Bromocyanogen Cation: a Rotational Analysis
M.A. Hanratty, M. Rösslein, F.G. Celli, T. Wyttenbach, and J.P. Maier
Molec. Phys. 1988, 64, 865

Electronic Spectroscopy of Cations at Reduced Temperatures
P.O. Danis, D.D. Evard, D. Forney, M. Rösslein, T. Wyttenbach, and J.P. Maier
Faraday Discuss. Chem. Soc. 1988, 86, 85

Absoptionsspektroskopie von massenselektierten Ionen (Absorption Spectroscopy of Mass-Selected Ions)
Thomas Wyttenbach
Ph. D. Thesis, University of Basel, Switzerland, 1988

Spectroscopic Characterisation of Organic Cations: Emission and Laser-excitation Spectra of Rotationally Cooled CH3-CC-X+, X=Cl, Br
D. Klapstein, R. Kuhn, J.P. Maier, M. Ochsner, and T. Wyttenbach
Chem. Phys. 1986, 101, 133

The Vibrational Structure of Bromocyanoacetylene Cation in the X2P and A2P Electronic States Studied by Emission and Laser Excitation Spectroscopy
R. Kuhn, J.P. Maier, L. Misev, and T. Wyttenbach
J. Electron Spectrosc. Relat. Phenom. 1986, 41, 265

 

 
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