Chemist
Chemist

Biography

Xueyun Zheng is a scientist in the Biological Sciences Division; she has over 10 years of experience utilizing ion mobility spectrometry (IMS) in conjunction with mass spectrometry (MS) to study biological and environmental systems. She has worked on IMS-MS applications in the field of protein structures and more recently she optimized IMS-MS metabolomic, glycomic, and lipidomic separations. Her research involves the development and evaluation of high-throughput IMS-MS analyses to quickly study numerous samples in a short time period, without losing valuable biological information, as well as assessing the number and quality of features detected with IMS-MS in comparison to existing MS platforms.

Disciplines and Skills

  • Technology development
  • IMS-MS
  • Proteomics
  • Metabolomics
  • Lipidomics

Education

  • Postdoctoral Research Associate, Biological Sciences Division, PNNL, 2018
  • PhD in Physical Chemistry, University of California, Santa Barbara (UCSB), 2015                                                                                                   
  • BS in Chemical Biology, Xiamen University, 2009                                                                                                  

 

Affiliations and Professional Service

  • American Society for Mass Spectrometry (ASMS)

Awards and Recognitions

  • Young Investigator Award, Chinese American Society of Mass Spectrometry, 2023
  • Young Investigator Grant, Mass Spectrometry and Advances in the Clinical Lab, 2018
  • Postdoc Travel Grant, ASMS Asilomar Conference on Metabolomics, 2017
  • Steve Berger Academic Award, Agilent Technologies, Inc., 2017
  • Postdoc Travel Grant, ASMS Asilomar Conference on Novel Instrumentation, 2016
  • The First Jean-Pierre Schermann Poster Prize, Isolated Biomolecules and Biomolecular Interactions Conference, 2014
  • Doctoral Student Travel Award, University of California-Santa Barbara, 2014
  • Dean’s Distinguished Fellowship Environmental Toxicology Graduate Program, University of California-Riverside, 2009  
  • Honor of Outstanding Graduate Xiamen University, 2009

Publications

2023

  • D. H. Ross, A. Bilbao, J.-Y. Lee, and X. Zheng*, “mzapy: An Open-Source Python Library Enabling Efficient Extraction and Processing of Ion Mobility Spectrometry-Mass Spectrometry Data in the MZA File Format”, Analytical Chemistry, 2023, 95, 25, 9428–9431
  • C. P. Harrilal*, S. V. B Garimella, J. Chun, N. Devanathan, X. Zheng, Y. M Ibrahim, C. Larriba-Andaluz, G. Schenter, and R. D. Smith, “The Role of Ion Rotation in Ion Mobility: Ultrahigh-Precision Prediction of Ion Mobility Dependence on Ion Mass Distribution and Translational to Rotational Energy Transfer”, The Journal of Physical Chemistry A, 2023, 127, 25, 5458–5469
  • D. H. Ross, J.-Y. Lee, A. Bilbao, D. Orton, J. Eder, M. C. Burnet, B. L. Deatherage Kaiser,, J. E. Kyle, X. Zheng*, “LipidOz enables automated elucidation of lipid carbon–carbon double bond positions from ozone-induced dissociation mass spectrometry data”, Communications Chemistry, 2023, 6, 74
  • D. H. Ross, A. Bilbao, R. D. Smith, and X. Zheng*, “Ion Mobility Spectrometry-Mass Spectrometry for High Throughput Analysis”, Invited book chapter, “High-Throughput Mass Spectrometry in Drug Discovery” by Wiley, 2023, 183-214
  • D. H. Ross, J. Guo, A. Bilbao, T. Huan, R. D. Smith and X. Zheng*, “Evaluating Software Tools for Lipid Identification from Ion Mobility Spectrometry–Mass Spectrometry Lipidomics Data”, Molecules 2023, 28(8), 3483
  • A. Bilbao*, D. H. Ross, J.-Y. Lee, M. Donor, S. Williams, Y. Zhu, Y. Ibrahim, R. D. Smith, and X. Zheng*, “MZA: a data conversion tool to facilitate software development and artificial intelligence research in multidimensional mass spectrometry” Journal of Proteome Research, 2023, 22, 2, 508–513

2021

  • D. Zamith-Miranda, H. M. Heyman, M. C. Burnet, S. P Couvillion, X. Zheng, N. Munoz, W. C. Nelson, J. E. Kyle, E. M. Zink, K. K. Weitz, K. J. Bloodsworth, G. Clair, J. D. Zucker, J. R. Teuton, S. H Payne, Y.-M. Kim, M. R. Gil, E. S. Baker, E. L. Bredeweg, J. D. Nosanchuk, E. S. Nakayasu, “A Histoplasma capsulatum Lipid Metabolic Map Identifies Antifungal Targets”, Mbio, 2021, 12, e02972-21 
  • J.-Y. Lee, A. Bilbao, C. R Conant, K. J Bloodsworth, D. J Orton, M. Zhou, J. W. Wilson, X. Zheng, I. K. Webb, A. Li, K. K Hixson, J. C Fjeldsted, Y. M. Ibrahim, S. H Payne, C. Jansson, R. D. Smith, T. O. Metz, “AutoCCS: Automated collision cross section calculation software for ion mobility spectrometry-mass spectrometry”, Bioinformatics, 2021, 37, 4193–4201

2020

  • A. Li, C. R. Conant, X. Zheng, K. J. Bloodsworth, D.J. Orton, S. V. B. Garimella, I. K. Attah, G. Nagy, R. D. Smith and Y. M. Ibrahim, “Assessing Collision Cross Section Calibration Strategies for Traveling Wave-Based Ion Mobility Separations in Structures for Lossless Ion Manipulations” Analytical Chemistry 2020, 92 (22), 14976-14982.
  • X. Zheng, R. T. Kurulugama, A. Laganowsky and D. H. Russell, “Collision-Induced Unfolding Studies of Proteins and Protein Complexes using Drift Tube Ion Mobility-Mass Spectrometer” Analytical Chemistry 2020, 92, 10, 7218–7225
  • C. S. Mallis, X. Zheng, X. Qiu, J. W. McCabe, M. Shirzadeh, J. Lyu, A. Laganowsky and D. H. Russell, “Development of native MS capabilities on an extended mass range Q-TOF MS” International Journal of Mass Spectrometry 2020, 458, 116451.
  • J. W. McCabe, C. S. Mallis, K. I. Kocurek, M. L. Poltash, M. Shirzadeh, M. J. Hebert, L. Fan, T. E. Walker, X. Zheng, T. Jiang, S. Dong, C.-W. Lin, A. Laganowsky and D. H. Russell, First-Principles Collision Cross Section Measurements of Large Proteins and Protein Complexes, Analytical Chemistry 2020, 92, 11155−11163

2019

  • B. Zhao, F. Du, P. Xu, C. Shu, B. Sankaran, S. L. Bell, M. Liu, Y. Lei, X. Gao, X. Fu, F. Zhu, Y. Liu, A. D. Laganowsky, X. Zheng, J. Ji, A. P. West, R. O. Watson and P. Li, A Conserved PLPLRT/SD Motif of STING Mediates the Recruitment and Activation of TBK1, Nature, 2019, 569, 718–722
  • Z. Moghadamchargari, J. Huddleston, M. Shirzadeh, X. Zheng, D. E. Clemmer, F. M. Raushel, D. H. Russell, A. Laganowsky, Intrinsic GTPase Activity of K-RAS Monitored by Native Mass Spectrometry, Biochemistry, 2019, 58, 3396-3405
  • X. Zheng#, F. B. Smith#, N. A. Aly, J. Cai, R. D. Smith, A. D. Patterson and E. S. Baker, Evaluating the Structural Complexity of Isomeric Bile Acids with Ion Mobility Spectrometry, Analytical and Bioanalytical Chemistry, 2019, 411, 4673–4682
  • K. E. Burnum-Johnson, X. Zheng, J. N. Dodds, J. Ash, D. Fourches, C. D. Nicora, J. P. Wendler, T. O. Metz, K. M. Waters, J. K. Jansson, R. D. Smith, E. S. Baker, Ion Mobility Spectrometry and the Omics: Distinguishing Isomers, Molecular Classes and Contaminant Ions in Complex Samples, Trends in Analytical Chemistry, 2019, 116, 292-299

2018

  • Kyle J.E., N.A. Aly, X. Zheng, K.E. Burnum-Johnson, R.D. Smith, and E.M. Baker. 2018. "Evaluating lipid mediator structural complexity using ion mobility spectrometry combined with mass spectrometry." Bioanalysis 10, no. 5:279-289. PNNL-SA-130733. doi:10.4155/bio-2017-0245
  • Orton D.J., M.M. Tfaily, R.J. Moore, B.L. Lamarche, X. Zheng, T.L. Fillmore, and R.K. Chu, et al. 2018. "A Customizable Flow Injection System for Automated, High Throughput and Time Sensitive Ion Mobility Spectrometry and Mass Spectrometry Measurements." Analytical Chemistry 90, no. 1:737-744. PNNL-SA-128111. doi:10.1021/acs.analchem.7b02986
  • Poad B.L., X. Zheng, T.A. Mitchell, R.D. Smith, E.M. Baker, and S.J. Blanksby. 2018. "Online ozonolysis combined with ion mobility-mass spectrometry provides a new platform for lipid isomer analyses." Analytical Chemistry 90, no. 2:1292-1300. PNNL-SA-129778. doi:10.1021/acs.analchem.7b04091
  • Zheng X., K.T. Dupuis, N.A. Aly, Y. Zhou, F.B. Smith, K. Tang, and R.D. Smith, et al. 2018. "Utilizing Ion Mobility Spectrometry and Mass Spectrometry for the Analysis of Polycyclic Aromatic Hydrocarbons, Polychlorinated Biphenyls, Polybrominated Diphenyl Ethers and Their Metabolites." Analytical Chimica Acta 1037. PNNL-SA-130591. doi:10.1016/j.aca.2018.02.054

2017

  • Deng L., I.K. Webb, V. Garimella, A.M. Hamid, X. Zheng, R.V. Norheim, and S.A. Prost, et al. 2017. "Serpentine Ultralong Path with Extended Routing (SUPER) High Resolution Traveling Wave Ion Mobility-MS using Structures for Lossless Ion Manipulations." Analytical Chemistry 89, no. 8:4628-4634. PNNL-SA-123438. doi:10.1021/acs.analchem.7b00185
  • Deng L., V. Garimella, A.M. Hamid, I.K. Webb, I.K. Attah, R.V. Norheim, and S.A. Prost, et al. 2017. "Compression Ratio Ion Mobility Programming (CRIMP) Accumulation and Compression of Billions of Ions for Ion Mobility-Mass Spectrometry Using Traveling Waves in Structures for Lossless Ion Manipulations (SLIM)." Analytical Chemistry 89, no. 12:6432-6439. PNNL-SA-123357. doi:10.1021/acs.analchem.7b00189
  • Kyle J.E., C.P. Casey, K.G. Stratton, E.M. Zink, Y. Kim, X. Zheng, and M.E. Monroe, et al. 2017. "Comparing Identified and Statistically Significant Lipids and Metabolites in 15-Year Old Serum and Dried Blood Spot Samples for Longitudinal Studies." Rapid Communications in Mass Spectrometry 31, no. 5:447-456. PNNL-SA-121197. doi:10.1002/rcm.7808
  • Ma J., C.P. Casey, X. Zheng, Y.M. Ibrahim, C.S. Wilkins, R.S. Renslow, and D.G. Thomas, et al. 2017. "PIXiE: An Algorithm for Automated Ion Mobility Arrival Time Extraction and Collision Cross Section Calculation using Global Data Association." Bioinformatics 33, no. 17:2715-2722. PNNL-SA-122828. doi:10.1093/bioinformatics/btx305
  • Stow S., T.J. Causon, X. Zheng, R.T. Kurulugama Lekamlage, T. Mairinger, J.C. May, and E.E. Rennie, et al. 2017. "An Interlaboratory Evaluation of Drift Tube Ion Mobility-Mass Spectrometry Collision Cross Section Measurements." Analytical Chemistry 89, no. 17:9048-9055. PNNL-SA-129678. doi:10.1021/acs.analchem.7b01729
  • Zheng X., L. Deng, E.M. Baker, Y.M. Ibrahim, V.A. Petyuk, and R.D. Smith. 2017. "Distinguishing D- and L-Aspartic and Isoaspartic Acids in Amyloid ß Peptides with Ultrahigh Resolution Ion Mobility Spectrometry." Chemical Communications 53, no. 56:7913-7916. PNNL-SA-124064. doi:10.1039/C7CC03321D
  • Zheng X., N.A. Aly, Y. Zhou, K.T. Dupuis, A. Bilbao Pena, V.L. Paurus, and D.J. Orton, et al. 2017. "A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry." Chemical Science 8, no. 11:7724-7736. PNNL-SA-126802. doi:10.1039/C7SC03464D
  • Zheng X., R. Wojcik, X. Zhang, Y.M. Ibrahim, K.E. Burnum-Johnson, D.J. Orton, and M.E. Monroe, et al. 2017. "Coupling Front-end Separations, Ion Mobility Spectrometry, and Mass Spectrometry for Enhanced Multidimensional Biological and Environmental Analyses." Annual Review of Analytical Chemistry 10. PNNL-SA-121198. doi:10.1146/annurev-anchem-061516-045212
  • Zheng X., R.S. Renslow, M.M. Makola, I.K. Webb, L. Deng, D.G. Thomas, and N. Govind, et al. 2017. "Structural Elucidation of cis/trans Dicaffeoylquinic Acid Photoisomerization Using Ion Mobility Spectrometry-Mass Spectrometry." The Journal of Physical Chemistry Letters 8, no. 7:1381-1388. PNNL-SA-123119. doi:10.1021/acs.jpclett.6b03015
  • Zheng X., X. Zhang, N. Schocker, R.S. Renslow, D.J. Orton, J. Khamsi, and R.A. Ashmus, et al. 2017. "Enhancing Glycan Isomer Separations with Metal Ions and Positive and Negative Polarity Ion Mobility Spectrometry-Mass Spectrometry Analyses." Analytical and Bioanalytical Chemistry 409. PNNL-SA-118977. doi:10.1007/s00216-016-9866-4

2016

  • Deng L., Y.M. Ibrahim, A.M. Hamid, V. Garimella, I.K. Webb, X. Zheng, and S.A. Prost, et al. 2016. "Ultra-High Resolution Ion Mobility Separations Utilizing Traveling Waves in a 13-m Serpentine Path Length Structures for Lossless Ion Manipulations Module." Analytical Chemistry 88, no. 18:8957-8964. PNNL-SA-118270. doi:10.1021/acs.analchem.6b01915
  • Deng L., Y.M. Ibrahim, E.S. Baker, N.A. Aly, A.M. Hamid, X. Zhang, and X. Zheng, et al. 2016. "Ion Mobility Separations of Isomers based upon Long Path Length Structures for Lossless Ion Manipulations Combined with Mass Spectrometry." ChemistrySelect 1, no. 10:2396-2399. PNNL-SA-116187. doi:10.1002/slct.201600460
  • Hamid A.M., V. Garimella, Y.M. Ibrahim, L. Deng, X. Zheng, I.K. Webb, and G.A. Anderson, et al. 2016. "Achieving high resolution ion mobility separations using traveling waves in compact multi-turn Structures for Lossless Ion Manipulations modules." Analytical Chemistry 88, no. 18:8949-8956. PNNL-SA-118269. doi:10.1021/acs.analchem.6b01914
  • Zhang X., M.V. Romm, X. Zheng, E.M. Zink, Y. Kim, K.E. Burnum-Johnson, and D.J. Orton, et al. 2016. "SPE-IMS-MS: An automated platform for sub-sixty second surveillance of endogenous metabolites and xenobiotics in bio?uids." Clinical Mass Spectrometry 2. PNNL-SA-117436. doi:10.1016/j.clinms.2016.11.002