This partial list of Bleiholder Group publications (2005 – present) includes links to the articles on the publishers’ web sites.
2024
Cropley, T. C., Liu, F. C., Chai, M., Bush, M. F., & Bleiholder, C. (2024). Metastability of Protein Solution Structures in the Absence of a Solvent: Rugged Energy Landscape and Glass-like Behavior. Journal of the American Chemical Society. DOI: 10.1021/jacs.3c12892
2023
Cheung See Kit, M., Cropley, T. C., Bleiholder, C., Chouinard, C. D., Sobott, F., & Webb, I. K. (2023). The role of solvation on the conformational landscape of α-synuclein. Analyst 149, 125-136. DOI: 10.1039/d3an01680c
Panczyk, E., Lin, Y.-F., Snyder, D., Liu, F. C., Ridgeway, M. E., Park, M. A., Bleiholder, C. , & Wysocki, V. (2023). Evaluation of a Commercial TIMS-Q-TOF Platform for Native Mass Spectrometry. Journal of The American Society for Mass Spectrometry (submitted).
Will, A., Oliinyk, D., Bleiholder, C., & Meier, F. (2023). Peptide collision cross sections of 22 post-translational modifications. Analytical and Bioanalytical Chemistry 415, 6633–6645. DOI:10.1007/s00216-023-04957-4 (selected as Papers in Forefront).
Liu, F. C., Cropley, T. C, & Bleiholder, C. (2023). Elucidating Structures of Protein Complexes by Collision-induced Dissociation at Elevated Gas Pressures. Journal of The American Society for Mass Spectrometry 34 (10), 2247–2258. DOI: 10.1021/jasms.3c00191. (Special Issue: Next Generation Mass Spectrometry Omics Technologies).
Liu, F. C., Ridgeway, M. E., Wooton, C. A., Theisen, A., Panczyk, E. M., Meier, F., Park, M. A., & Bleiholder, C. (2023). Top-down protein analysis by tandem-trapped ion mobility spectrometry / mass spectrometry (tandem-TIMS/MS) coupled with ultraviolet photodissociation (UVPD) and parallel accumulation/serial fragmentation (PASEF) MS/MS analysis. Journal of The American Society for Mass Spectrometry 34 (10), 2232–2246. DOI: 10.1021/jasms.3c00187. (Special Issue: Next Generation Mass Spectrometry Omics Technologies).
Cropley, T. C., Liu, F. C., Pedrete, T., Hossain, MD A., Agar, J. N., & Bleiholder, C. (2023). Structure Relaxation Approximation (SRA) for Elucidation of Protein Structures from Ion Mobility Measurements (II). Protein complexes. Journal of Physical Chemistry B 127 (25), 5553–5565. (Special Issue: Early-Career and Emerging Researchers in Physical Chemistry Volume 2).
Cropley, T. C., Chai, M., Liu, F. C., & Bleiholder, C. (2023). Perspective on the potential of tandem-ion mobility /mass spectrometry methods for structural proteomics applications. Frontiers in Analytical Science 3:1106752. (Special Issue: Emerging structural proteomics methodologies).
Lee, J.; Chai, M.; & Bleiholder, C. (2023). Differentiation of isomeric, non-separable carbohydrates using tandem-trapped ion mobility spectrometry – mass spectrometry (tTIMS/MS). Analytical Chemistry 95 (2), 747–757.
2022
Liu, F. C., Kirk, S. R., Caldwell, K. A., Pedrete, T., Meier, F., & Bleiholder, C. (2022). Tandem Trapped Ion Mobility Spectrometry/Mass Spectrometry (tTIMS/MS) Reveals Sequence-Specific Determinants of Top-Down Protein Fragment Ion Cross Sections. Analytical Chemistry 94 (23), 8146–8155.
Liu, F. C., Ridgeway, M E., Park, M. A., & Bleiholder, C. (2022). Tandem-trapped ion mobility spectrometry/mass spectrometry (tTIMS/MS): a promising analytical method for investigating heterogenous samples. Analyst 147, 2317-2337. (Invited Contribution).
2021
Bleiholder, C., Liu, F. C. & Chai, M. (2021). Calculation of momentum transfer cross-sections. Ion Mobility – Mass Spectrometry: Fundamentals and Applications. Sobott, F., Ashcroft, A. E. (Eds). Royal Society of Chemistry, 26-51 pp. (Special Issue: New Developments in Mass Spectrometry).
Chai, M., & Bleiholder, C. (2021). Structure-elucidation of human CCL5 by integrating trapped ion mobility spectrometry-mass spectrometry (TIMS-MS) with Structure Relaxation Approximation (SRA) analysis. International Journal of Mass Spectrometry 469, 116682.
Liu, F. C., Ridgeway, M. E., Winfred, J. S. R. V., Polfer, N. C., Lee, J., Theisen, A., Wootton, C. A., Park, M. A., & Bleiholder, C. (2021). Tandem-trapped ion mobility spectrometry/mass spectrometry coupled with ultraviolet photodissociation. Rapid Communications in Mass Spectrometry 35 (22), e9192.
2020
Bleiholder, C., Liu, F. C. & Chai, M. (2020). Comment on Effective Temperature and Structural Rearrangement in Trapped Ion Mobility Spectrometry: TIMS Enables Native Mass Spectrometry Applications. Analytical Chemistry 92 (24), 16329-16333.
Liu, F. C., Cropley, T. C., Ridgeway, M. E., Park, M. A., & Bleiholder, C. (2020). Structural Analysis of the Glycoprotein Complex Avidin by Tandem-Trapped Ion Mobility Spectrometry-Mass Spectrometry (Tandem-TIMS/MS). Analytical Chemistry 92 (6), 4459-4467.
Bleiholder, C. Determining Molecular and Molecular Assembly Structures from a Momentum Transfer Cross Section Distribution. U.S. Patent 10,605,773. March 31, 2020.
Park, M. A., Ridgeway, M. E., Bleiholder, C., & Liu, F. C. Tandem ion mobility spectrometer. U.S. Patent 10,794,861. October 6, 2020.
2019
Gabelica, V., Shvartsburg, A. A., Afonso, C., Barran, P., Benesch, J. L. P., Bleiholder, C., Bowers, M. T., Bilbao, A., Bush, M. F., Campbell, J. L., Campuzano, I. D. G., Causon, T., Clowers, B. H., Creaser, C. S., De Pauw, E., Far, J., Fernandez‐Lima, F., Fjeldsted, J. C., Giles, K., Groessl, M., Hogan, C. J., Hann, S., Kim, H. I., Kurulugama, R. T., May, J. C., McLean, J. A., Pagel, K., Richardson, K., Ridgeway, M. E., Rosu, F., Sobott, F., Thalassinos, K., Valentine, S. J., & Wyttenbach, T. (2019). Recommendations for reporting ion mobility Mass Spectrometry measurements. Mass Spectrometry Reviews, 38(3), 291-320. (Invited Contribution).
Bleiholder, C., & Liu, F. C. (2019). Structure Relaxation Approximation (SRA) for Elucidation of Protein Structures from Ion Mobility Measurements. Journal of Physical Chemistry B 123 (13), 2756-2769.
Kirk, S. R., Liu, F. C., Cropley, T. C., Carlock, H. R., & Bleiholder, C. (2019).On the Preservation of Non-covalent Peptide Assemblies in a Tandem-Trapped Ion Mobility Spectrometer-Mass Spectrometer (TIMS-TIMS-MS). Journal of The American Society for Mass Spectrometry 30 (7), 1204-1212.
Ridgeway, M.E., Bleiholder, C., Mann, M., & Park, M. A. (2019). Trends in Trapped Ion Mobility-Mass Spectrometry Instrumentation. Trends in Analytical Chemistry 116, 324-331. (Invited Contribution).
2018
Chai, M., Young, M., Liu, F. C., & Bleiholder, C. (2018). A transferable, sample-independent calibration procedure for trapped ion mobility spectrometry (TIMS). Analytical Chemistry 90 (15), 9040-9047.
Gleiter, R., Haberhauer, G., Werz, D. B., Rominger, F., & Bleiholder, C. (2018). From Noncovalent Chalcogen–Chalcogen Interactions to Supramolecular Aggregates: Experiments and Calculations. Chemical Reviews 118, 2010–2041. (Invited Contribution).
Liu, F. C., Ridgeway, M. E., Park, M. A., Bleiholder, C. (2018). Tandem trapped ion mobility spectrometry. Analyst 143 (10), 2249-2258.
2017
Young, M. N., & Bleiholder, C. (2017).Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution. Journal of The American Society for Mass Spectrometry 28 (4), 619-627. (Special Issue: 2017 ASMS ‘Emerging Investigators’ Focus).
Bleiholder, C., Dupuis, N. F., GesselM. M., & Bowers, M. T. (2017). Structural effects of chirally mutated Enkephalin neurotransmitters: an argument for biological homochirality. International Journal of Mass Spectrometry 413, 52-60. (Special Issue: Nico Nibbering Issue).
Bleiholder, C., & Bower, M. T. (2017). The Solution Assembly of Biological Molecules Using Ion Mobility Methods: From Amino Acids to Amyloid -Protein. Annual Review of Analytical Chemistry 10 (1), 365-386. (Invited Contribution).
Bleiholder, C. Approximation algorithm for solving a momentum transfer cross section. U.S. Patent 9,829,466. November 28, 2017.
2016
Liu, F. C., Kirk, S. R., & Bleiholder, C. (2016). On the Structural Denaturation of Biological Analytes in Trapped Ion Mobility Spectrometry – Mass Spectrometry. Analyst 141, 3722-3730. (Special Issue: 2016 Emerging Investigators).
Bleiholder,C. (2016). Towards measuring ion mobilities in non-stationary gases and non-uniform and dynamic electric fields. International Journal of Mass Spectrometry 399-400, 1-9. (Young Scientist Feature).
2015
Bleiholder, C. (2015). A local collision probability approximation for predicting momentum transfer cross sections. Analyst 14, 6804-6813. (Special Issue: Ion Mobility Mass Spectrometry).
Wyttenbach, T., Bleiholder, C., Anderson, S.E., & Bowers, M. T. (2015). A new algorithm to characterise the degree of concaveness of a molecular surface relevant in ion mobility spectrometry. Molecular Physics 113, 2344-2349. (Special Issue in Honour of John Maier).
Bleiholder, C., Johnson, N. R., Contreras, S., Wyttenbach, T., & Bowers, M. T. (2015). Molecular Structures and Ion Mobility Cross Sections: Analysis of the Effects of He and N2 Buffer Gas. Analytical Chemistry 87, 7196-7203.
Warnke, S., Seo, J., Boschmans, J., Sobott, F., Scrivens, J. H., Bleiholder, C., Bowers, M. T., Gewinner, S., Schllkopf, W., Pagel, K., & Helden, G. v. (2015). Protomers of Benzocaine: Solvent and Permittivity Dependence. Journal of the American Chemical Society 137, 4236-4242.
2013
Bleiholder, C., Contreras, S., Do, T. D., & Bowers, M. T. (2013). A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections(II). Model parameterization and definition of empirical shape factors for proteins. International Journal of Mass Spectrometry 345-347, 89-96. (Special Issue honoring Keith R. Jennings and James H. Scrivens).
Bleiholder, C., Contreras, S., & Bowers, M. T. (2013). A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (IV). Application to polypeptides. International Journal of Mass Spectrometry 354-355, 275-280. (Special Issue: Detlef Schröder Memorial Issue).
Seo, Y., Andaya, A., Bleiholder, C., Bowers, M. T., & Leary, J. A. (2013). Differentiation of CC vs CXC chemokine dimers with GAG octasaccharide binding partners: An ion mobility mass spectrometry approach. Journal of the American Chemical Society 135, 4325-4332.
Bleiholder, C., Dupuis, N. F., Gessel, M. M., & Bowers, M. T. (2013). Dimerization of chirally mutated Enkephalin neurotransmitters: implications for peptide and protein aggregation mechanisms. Journal of Physical Chemistry B 117, 1770-1779. (Special Issue: Electrophoretic Deposition).
Wyttenbach, T., Bleiholder, C., & Bowers, M. T. (2013). Factors contributing to the collision cross section of molecular ions in the kilodalton to gigadalton range. Analytical Chemistry 85, 2191-2199.
Do, T. D., Economou, N. J., LaPointe, N. E., Kincannon, W. M., Bleiholder, C., Feinstein, S. C., Teplow, D. B., Buratto, S. K., & Bowers, M. T. (2013). Factors that drive peptide assembly and fibril formation: Experimental and theoretical analysis of Sup35 NNQQNY mutants. Journal of Physical Chemistry B 117, 8436-8446.
Bleiholder, C., Do, T. D., Wu, C., Economou, N. J., Bernstein, S. S., Buratto, S. K., Shea, J., & Bowers, M. T. (2013). Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A(25-35) and its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-Inositol. Journal of the American Chemical Society 135, 16926-16937.
2011-2012
Anderson, S. E., Bleiholder, C., Brocker, E. R., Stang, P. J., & Bowers, M. T. (2012). A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (III). Application to Supramolecular Coordination-Driven Assemblies. International Journal of Mass Spectrometry 330-332, 78-84. (Armentrout Honor Issue).
Bleiholder, C., Wyttenbach, T., & Bowers, M. T. (2011).A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Method. International Journal of Mass Spectrometry 308, 1-10.
Bleiholder, C., Dupuis, N. F., Wyttenbach, T., & Bowers M. T. (2011). Ion mobility-mass spectrometry reveals a conformational conversion from random assembly to Beta-sheet in amyloid fibril formation. Nature Chemistry 3, 172-177.
Bleiholder, C., Suhai, S., Harrison, A. G., & Paizs, B. (2011). Towards understanding the tandem mass spectra of protonated oligopeptides. 2: The proline effect in collision-induced dissociation of protonated Ala-Ala-Xxx-Pro-Ala (Xxx =Ala, Ser, Leu, Val, Phe, and Trp). Journal of the American Society for Mass Spectrometry 22, 1032-1039.
2008-2010
Bleiholder, C., & Paizs, B. (2010). Competing gas-phase fragmentation pathways of asparagine-, glutamine-, and lysine- containing protonated dipeptides.
Theoretical Chemistry Accounts 125, 387-396.
Bleiholder, C., Rominger, F., & Gleiter, R. (2009). Alpha-Metallocenylmethylium ions and their isoelectronic congeners a comparison based on DFT calculations. Organometallics 28, 1014-1017.
Lari, A., Bleiholder, C., Rominger, F., & Gleiter, R. (2009). Intramolecular nonbonded interactions between divalent selenium centers with donor and acceptor substituents. European Journal of Organic Chemistry 17, 2765-2774.
Bleiholder, C., Osburn, S., Williams, T., Suhai, S., Stipdonk, M. Van, Harrison, A., & Paizs, B. (2008). Sequence scrambling fragmentation pathways of protonated peptides. Journal of the American Chemical Society 130, 17774-17789.
2007
Gleiter, R., Bleiholder, C., & Rominger, F. (2007). Alpha-Metallocenylmethylium ions and isoelectronic fulvene complexes of d6 to d9 metals. Structural considerations. Organometallics 26, 4850-4859. (Invited Contribution).
Bleiholder, C., Gleiter, R., Werz, D. B. & Kppel, H. (2007). Theoretical investigations on heteronuclear chalcogen-chalcogen interactions: On the nature of weak bonds between chalcogen centers. Inorganic Chemistry 46, 2249-2260.
Gath, S., Gleiter, R., Rominger, F., & Bleiholder, C. (2007). Transannular interactions in mixed superphanes with one thiophene and one CpCo-stabilized cyclobutadiene ring: Syntheses, structures, and electrochemistry. Organometallics 26, 644-6.
Pingitore, F., Bleiholder, C., Paizs, B., & Wesdemiotis, C. (2007). Unimolecular chemistry of metal ion-coordinated Alpha-dipeptide radicals. International Journal of Mass Spectrometry 265, 251-260. (Jean H. Futrell Honour Issue).
2005-2006
Bleiholder, C., Suhai, S., & Paizs, B. (2006). Revising the proton affinity scale of the naturally occuring Alpha-amino acids. Journal of the American Society for Mass Spectrometry 17, 1275-1281.
Harrison, A. G., Young, A. B., Bleiholder, C., Suhai, S., & Paizs, B. (2006). Scrambling of sequence information in collision-induced dissociation of peptides. Journal of the American Chemical Society 128, 10364-10365.
Werz, D. B., Bleiholder, C., Gleiter, R., & Rominger, F. (2006). Strong distortions in hexacarbonyldicobalt complexes by push-pull effects. Journal of Organometallic Chemistry 691, 3943-3947.
Wang, P., Polce, M. J., Bleiholder, C., Paizs, B., & Wesdemiotis, C. (2006). Structural characterization of peptides via tandem mass spectrometry of their dilithiated monocations. International Journal of Mass Spectrometry 249, 45-59. (Chava Lifshitz Memorial Issue).
Bleiholder, C., Werz, D. B., Kppel, H., & Gleiter, R. (2006). Theoretical investigations on chalcogen-chalcogen-interactions: What makes these nonbonded interactions bonding? Journal of the American Chemical Society 128, 2666-2674.
Bleiholder, C., Borzel, H., Comba, P., Ferrari, R., Heydt, M., Kerscher, M., Kuwata, S., Laurenczy, G., Lawrance, G. A., Lienke, A., Martin, B., Merz, M., Nuber, B., & Pritzkow, H. (2005). Coordination chemistry of a new rigid, hexadentate bispidine-based bis(amine)tetrakis (pyridine) ligand. Inorganic Chemistry 44, 8145-8155.