Staff information

PNNL Publications

2024

• Feng R., X. Zheng, P.S. Rice, J.D. Bazak, A.M. Hollas, Y. Shao, and Y. Liang, et al. 2024. "Redox Activity Modulation in Extended Fluorenone-Based Flow Battery Electrolytes with pi-pi Stacking Effect." Journal of the Electrochemical Society 171, no. 9:Art. No. 090501. PNNL-SA-186885. doi:10.1149/1945-7111/ad7324
• Harrison A.L., J.G. Eder, P.M. Lalli, N. Munoz Munoz, Y. Gao, C.S. Clendinen, and D.J. Orton, et al. 2024. "PeakQC: A Software Tool for Omics-Agnostic Automated Quality Control of Mass Spectrometry Data." Journal of the American Society for Mass Spectrometry 35, no. 11:2680-2689. PNNL-SA-197329. doi:10.1021/jasms.4c00146
• Kwantwi-Barima P., V. Garimella, I.K. Attah, X. Zheng, Y.M. Ibrahim, and R.D. Smith. 2024. "Accumulation of Large Ion Populations with High Ion Densities and Effects Due to Space Charge in Traveling Wave-Based Structures for Lossless Ion Manipulations (SLIM) IMS-MS." Journal of the American Society for Mass Spectrometry 35, no. 2:365-377. PNNL-SA-190161. doi:10.1021/jasms.3c00389
• Ross D.H., H.D. Bhotika, X. Zheng, R.D. Smith, K.E. Burnum-Johnson, and A. Bilbao. 2024. "Computational tools and algorithms for ion mobility spectrometry-mass spectrometry." Proteomics 24, no. 12-13:Art. No. 2200436. PNNL-SA-192094. doi:10.1002/pmic.202200436
• Ross D.H., J. Lee, Y. Gao, A.L. Hollerbach, A. Bilbao, T. Shi, and Y.M. Ibrahim, et al. 2024. "Evaluation of a Reference-Free Collision Cross Section Calibration Strategy for Proteomics Using SLIM-based High-Resolution Ion Mobility Spectrometry- Mass Spectrometry." Journal of the American Society for Mass Spectrometry 35, no. 7:1539-1549. PNNL-SA-197876. doi:10.1021/jasms.4c00141
• Sarkar S., X. Zheng, G. Clair, Y. Kwon, Y. You, A.C. Swensen, and B.M. Webb-Robertson, et al. 2024. "Exploring new frontiers in type 1 diabetes through advanced mass-spectrometry-based molecular measurements." Trends in Molecular Medicine 30, no. 12:1137-1151. PNNL-SA-198900. doi:10.1016/j.molmed.2024.07.009
• Zheng X., D.H. Ross, E.L. Bredeweg, J.G. Eder, D.J. Orton, M.C. Burnet, and J.E. Kyle, et al. 2024. "A deep learning-guided automated workflow in LipidOz for detailed characterization of fungal fatty acid unsaturation by ozonolysis." Journal of Mass Spectrometry 59, no. 9:e5078. PNNL-SA-197836. doi:10.1002/jms.5078

2023

• Motkuri R.K., S.D. Chatterjee, D. Barpaga, X. Zheng, Y.M. Ibrahim, C.W. Enderlin, and B.E. Wells, et al. 2023. Development of Engineered Metal-Organic Framework (MOF) materials for perfluorooctane sulfonate (PFOS) Remediation. PNNL-33928. Richland, WA: Pacific Northwest National Laboratory. Development of Engineered Metal-Organic Framework (MOF) materials for perfluorooctane sulfonate (PFOS) Remediation
• Ross D.H., A. Bilbao, J. Lee, and X. Zheng. 2023. "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, no. 25:9428-9431. PNNL-SA-177972. doi:10.1021/acs.analchem.3c01653
• Ross D.H., A. Bilbao, R.D. Smith, and X. Zheng. 2023. "Ion Mobility Spectrometry-Mass Spectrometry for High-Throughput Analysis." In High-Throughput Mass Spectrometry in Drug Discovery, edited by C. Liu and H. Zhang. 183-213. Hoboken, New Jersey:John Wiley & Sons, Inc. PNNL-SA-177811. doi:10.1002/9781119678496.ch6
• Ross D.H., J. Guo, A. Bilbao, T. Huan, R.D. Smith, and X. Zheng. 2023. "Evaluating Software Tools for Lipid Identification from Ion Mobility Spectrometry-Based Lipidomics Data." Molecules 28, no. 8:Art. No. 3483. PNNL-SA-183061. doi:10.3390/molecules28083483
• Ross D.H., J. Lee, A. Bilbao, D.J. Orton, J.G. Eder, M.C. Burnet, and B. Kaiser, et al. 2023. "LipidOz Enables Automated Elucidation of Lipid Carbon-Carbon Double Bond Positions from Ozone-Induced Dissociation Mass Spectrometry Data." Communications Chemistry 6. PNNL-SA-180930. doi:10.1038/s42004-023-00867-9

2021

• Rivas-Ubach A., S. China, P. Pande, and X. Zheng. 2021. Characterizing the contribution of bioaerosols diversity from complex aerosol particle samples. PNNL-31972. Richland, WA: Pacific Northwest National Laboratory. Characterizing the contribution of bioaerosols diversity from complex aerosol particle samples.
• Zamith-Miranda D., H.M. Heyman, M.C. Burnet, S.P. Couvillion, X. Zheng, N. Munoz Munoz, and W.C. Nelson, et al. 2021. "A Histoplasma capsulatum lipid metabolic map identifies antifungal targets." mBio 12, no. 6:e02972-21. PNNL-SA-152496. doi:10.1128/mBio.02972-21

2020

• Li A., C.R. Conant, X. Zheng, K.J. Bloodsworth, D.J. Orton, V. Garimella, and I.K. Attah, et al. 2020. "Assessing Collision Cross Section Calibration Strategies for Traveling Wave-based Ion Mobility Separations in Structures for Lossless Ion Manipulations." Analytical Chemistry 92, no. 22:14976-14982. PNNL-SA-154112. doi:10.1021/acs.analchem.0c02829

2019

• Zheng X., F.B. Smith, N.A. Aly, J. Cai, R.D. Smith, A.D. Patterson, and E.S. Baker. 2019. "Evaluating the structural complexity of isomeric bile acids with ion mobility spectrometry." Analytical and Bioanalytical Chemistry 411, no. 19:4673-4682. PNNL-SA-147447. doi:10.1007/s00216-019-01869-0

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
• Zheng X., R.D. Smith, and E.M. Baker. 2018. "Recent Advances in Lipid Separations and Structural Elucidation Using Mass Spectrometry Combined with Ion Mobility Spectrometry, Ion-Molecule Reactions and Fragmentation Approaches." Current Opinion in Chemical Biology 42. PNNL-SA-131398. doi:10.1016/j.cbpa.2017.11.009

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., 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