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Publications
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The
list of my publications below includes links to the articles
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Note,
that in addition to the peer-reviewed papers listed
below, a list of selected recent conference papers
can be found
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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, 1226612275
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, 14351443
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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