Below you will find a collection of publications and useful links we have prepared for shared resource center collaborators and clients.

For more information regarding authorship and center acknowledgement guidelines, please visit our Resource User Policies hub.

CIT Publications

  1. Mancini V, Schrimpe-Rutledge A, Codreanu S., Sherrod SD, McLean JAM, Picton HM, Pensabene V, Metabolomic analysis evidences that uterine epithelial cells enhance blastocyst development in a microfluidic device, Cells 2021, in press.
  2. Bryant JM, Malabanan MM, Vanderloop BH, Nichols CM, Haratipour Z, Poon KT, Sherrod SD, McLean JAM, Blind RD, The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor Steroidogenic Factor-1 (NR5A1), J. Lipid Res. 2021in press.
    DOI: 10.1016/j.jlr.2021.100081
  3. May JC, Leaptrot KL, Rose BS, Wormwood Moser KL, Deng L, Maxon L, DeBord D, McLean JA, Resolving Power and Collision Cross Section Measurement Accuracy of a Prototype High-Resolution Ion Mobility Platform Incorporating Structures for Lossless Ion Manipulation, J. Am. Soc. Mass Spectrom., 2021, 32 (4), 1126-1137.
    DOI: 10.1021/jasms.1c00056
  4. Popay TM, Wang J, Adams CM, Howard GC, Codreanu SG, Sherrod SD, McLean JA, Thomas LR, Lorey SL, Machida YJ, Weissmiller AM, Eischen CM, Liu Q, Tansey WP, MYC regulates ribosome biogenesis and mitochondrial gene expression programs through its interaction with host cell factor-1, Elife, 2021, 10:e60191.
    DOI: 10.7554/eLife.60191
  5. Davis Jr DE, Sherrod SD, Grant-Branum RL, Colby JM, McLean JA, Targeted Strategy to Analyze Antiepileptic Drugs in Human Serum by LC-MS/MS and LC-Ion Mobility-MS, Anal. Chem. 2020, 92 (21), 14648-14656.
    DOI: 10.1021/acs.analchem.0c03172
  6. Paudel BB, Lewis JE, Hardeman KN, Hayford CE, Robbins CJ, Stauffer PE, Codreanu SG, Sherrod SD, McLean JA, Kemp ML, Quaranta V, An Integrative Gene Expression and Mathematical Flux Balance Analysis Identifies Targetable Redox Vulnerabilities in Melanoma Cells, Cancer Research, 2020, 80, 20.
    DOI: 10.1158/0008-5472.CAN-19-3588
  7. Allwardt V, Ainscough AJ, Viswanathan P, Sherrod SD, McLean JA, Haddrick M, Pensabene V, Translational Roadmap for the Organs-on-a-Chip Industry toward Broad Adoption, Bioengineering, 2020, 7, 112.
    DOI: 10.3390/bioengineering7030112
  8. Khan MJ, Codreanu SG, Goyal S, Wages PA, Gorti SKK, Pearson MJ, Uribe I, Sherrod SD, McLean JA, Porter NA, Robinson RAS, Evaluating a targeted multiple reaction monitoring approach to global untargeted lipidomic analyses of human plasma, Rapid Commun Mass Spectrom, 2020, 32 (22) e8911.
    DOI: 10.1002/rcm.8911
  9. Manzo T, Prentice BM, Anderson KG, Raman A, Schalck A, Codreanu GS, Lauson CBN, Tiberti S, Raimondi A, Jones MA, Reyzer M, Bates BM, Spraggins JM, Patterson NH, McLean JA, Rai K, Tacchetti C, Tucci S, Wargo JA, Rodighiero S, Clise-Dwyer K, Sherrod SD, Kim M, Navin NE, Caprioli RM, Greenberg PD, Draetta G, Nezi L, Accumulation of long-chain fatty acids in the tumor microenvironment drives dysfunction in intrapancreatic CD8+ T cells, J Exp Med, 2020, 217 (8): e20191920.
    DOI: 10.1084/jem.20191920
  10. Picache JA, May JC, McLean JA, Chemical Class Prediction of Unknown Biomolecules Using Ion Mobility-Mass Spectrometry and Machine Learning: Supervised Inference of Feature Taxonomy from Ensemble Randomization, Anal Chem, 2020, 92, 10759-10767.
    DOI: 10.1021/acs.analchem.0c02137
  11. Poland JC, Leaptrot KL, Sherrod SD, Flynn CR, McLean JA, Collision Cross Section Conformational Analyses of Bile Acids via Ion Mobility–Mass Spectrometry, J Am Soc Mass Spectrom, 2020, 31, 8, 1625-1631.
    DOI: 10.1021/jasms.0c00015
  12. May JC, Knochenmuss R, Fjeldsted JC, McLean JA, Resolution of Isomeric Mixtures in Ion Mobility Using a Combined Demultiplexing and Peak Deconvolution Technique, Anal Chem, 2020, 92, 14, 9482-9492.
    DOI: 10.1021/acs.analchem.9b05718
  13. Picache J.A., May J.C., McLean J.A., Crowd-Sourced Chemistry: Considerations for Building a Standardized Database to Improve Omic Analyses, ACS Omega 2020, 5:2, 980-985.
    DOI: 10.1021/acsomega.9b03708
  14. Pfalzer AC, Wilcox JM, Codreanu SG, Totten M, Bichell TJV, Halbesma T, Umashanker P, Yang KL, Parmalee NL, Sherrod SD, Erikson KM, Harrison FE, McLean JA, Ashner M, Bowman AB, Huntington’s disease genotype suppresses global manganese-responsive processes in pre-manifest and manifest YAC128 mice, Metallomics, 2020, 12, 1118-1130.
    DOI: 10.1039/D0MT00081G
  15. Chambers SA, Moore RE, Craft KM, Thomas HC, Das R, Manning SD, Codreanu SG, Sherrod SD, Aronoff DM, McLean JA, Gaddy JA, Townsend SD, A Solution to Antifolate Resistance in Group B Streptococcus: Untargeted Metabolomics Identifies Human Milk Oligosaccharide-Induced Perturbations That Result in Potentiation of Trimethoprim, mBio 2020, 11:2, e00076-20.
    DOI: 10.1128/mBio.00076-20
  16. Morris CB, Poland JC, May JC, McLean JA (2020) Fundamentals of Ion Mobility-Mass Spectrometry for the Analysis of Biomolecules. In: Paglia G., Astarita G. (eds) Ion Mobility-Mass Spectrometry. Methods in Molecular Biology, vol 2084. Humana, New York, NY.
    DOI: 10.1007/978-1-0716-0030-6_1
  17. Eberly AR, Beebout CJ, Carmen Tong CM, Van Horn GT, Green HD, Fitzgerald MJ, De S, Apple EK, Schrimpe-Rutledge AC, Codreanu SG, Sherrod SD, McLean JA, Clayton DB, Stratton CW, Schmitz JE, Hadjifrangiskou M, Defining a Molecular Signature for Uropathogenic versus Urocolonizing Escherichia coli: The Status of the Field and New Clinical Opportunities, J Mol Biol 2020, 431:4, 786-804.
    DOI: 10.1016/j.jmb.2019.11.008
  18. Harris RA, Picache JA, Tomlinson ID, Zlibut E, Ellis BM, May JC, McLean JA, Hercules DM, Mass Spectrometry and Ion Mobility Study of Poly (ethylene glycol)‐based Polyurethane Oligomers, Rapid Commun Mass Spectrom 2019, e8662.
    DOI: 10.1002/rcm.8662
  19. Crescentini TM, May JC, McLean JA, Hercules DM, Mass spectrometry of polyurethanes, Polymer 2019, 181, 121624.
  20. Poland JC, Schrimpe-Rutledge AC, Sherrod SD, Flynn CR, McLean JA, Utilizing untargeted ion mobility-mass spectrometry to profile changes in the gut metabolome following biliary diversion surgery, Anal Chem 2019, 91:22, 14417-14423.
    DOI: 10.1021/acs.analchem.9b02924
  21. Crescentini TM, May JC, McLean JA, Hercules DM, Alkali metal cation adduct effect on polybutylene adipate oligomers: Ion mobility-mass spectrometry, Polymer 2019, 173, 58-65.
    DOI: 10.1016/j.polymer.2019.04.004
  22. Palmer LD, Jordan AT, Maloney KN, Farrow MA, Gutierrez DB, Gant-Branum R, Burns WJ, Romer CE, Tsui T, Allen JL, Beavers WN, Nei YW, Sherrod SD, Lacy DB, Norris JL, McLean JA, Caprioli RM, Skaar EP, Zinc intoxication induces ferroptosis in A549 human lung cells, Metallomics 2019, 11:5, 982-993.
    DOI: 10.1039/c8mt00360b
  23. Harris RA, Leaptrot KL, May JC, McLean JA, New Frontiers in Lipidomics Analyses using Structurally Selective Ion Mobility-Mass Spectrometry, Trends Anal. Chem. 2019, 116, 316-323.
    DOI: 10.1016/j.trac.2019.03.031
  24. Leaptrot KL, May JC, Dodds JN, McLean JA, Ion mobility conformational lipid atlas for highconfidence lipidomics, Nat. Commun 2019, 10:985.
    DOI: 10.1038/s41467-019-08897
  25. Morris CB, May JC, Leaptrot KL, McLean JA, Evaluating Separation Selectivity and Collision Cross Section Measurement Reproducibility in Helium, Nitrogen, Argon, and Carbon Dioxide Drift Gases for Drift Tube Ion Mobility–Mass Spectrometry, J. Am. Soc. Mass Spectrom. 2019, 30:6, 1159-1068.
    DOI: 10.1007/s13361-019-02151-4
  26. Picache JA, Rose BS, Balinski A, Leaptrot KL, Sherrod SD, May JC, McLean JA, Collision cross section compendium to annotate and predict multi-omic compound identities, Chem Sci 2019, 10, 983-993.
    DOI: 10.1039/C8SC04396E
  27. Phillips ST, Dodds JN, May JC, McLean JA, Isomeric and Conformational Analysis of Small Drug and Drug-Like Molecules by Ion Mobility-Mass Spectrometry (IM-MS). In: Larson R., Oprea T. (eds) Bioinformatics and Drug Discovery. Methods in Molecular Biology 2019, vol 1939. Humana Press, New York, NY.
    DOI: 10.1007/978-1-4939-9089-4_9
  28. Gibson CL, Codreanu SG, Schrimpe-Rutledge AC, Retzlaff CL, Wright J, Mortlock DP, Sherrod SD, McLean JA, Blakely RD, Global untargeted serum metabolomic analyses nominate metabolic pathways responsive to loss of expression of the orphan metallo β-lactamase, MBLAC1, Mol Omics 2018, 14, 142-155.
    DOI: 10.1039/C7MO00022G
  29. Crescentini TM, Stow SM, Forsythe JG, May JC, McLean JA, Hercules DM, Structural Characterization of Methylenedianiline Regioisomers by Ion Mobility-Mass Spectrometry and Tandem Mass Spectrometry. 4.3‑Ring and 4‑Ring Isomers, Anal Chem 2018, 90, 14453-14461.
    DOI: 10.1021/acs.analchem.8b04103
  30. Gutierrez DB, Gant-Branum RL, Romer CE, Farrow MA, Allen JL, Dahal N, Nei YW, Codreanu SG, Jordan AT, Palmer LD, Sherrod SD, McLean JA, Skaar EP, Norris JL, Caprioli RM, An Integrated, High-Throughput Strategy for Multiomic Systems Level Analysis, J Proteome Res 2018, 17, 10, 3396-3408.
    DOI: 10.1021/acs.jproteome.8b00302
  31. Khan MJ, Robinson RAS, Codreanu SG, McLean JA, Sherrod SD, Omics Approaches to Understand Health Disparities in Alzheimer’s Disease, Alzheimer’s & Dementia 2018, 14, 7, 719.
    DOI: 10.1016/j.jalz.2018.06.819
  32. Rogers M, Sobolik T, Schaffer DK, Samson PC, Johnson AC, Owens P, Codreanu SG, Sherrod SD, McLean JA, Wikswo JP, Richmond A, Engineered Microfluidic Bioreactor for Examining the Three-Dimensional Breast Tumor Microenvironment, Biomicrofluidics 2018, 12, 034102.
    DOI: 10.1063/1.5016433
  33. Nichols CM, Dodds JN, Rose BS, Picache JA, Morris CB, Codreanu SG, May JC, Sherrod SD, McLean JA, Untargeted Molecular Discovery in Primary Metabolism: Collision Cross Section as a Molecular Descriptor in Ion Mobility-Mass Spectrometry, Anal Chem 2018, 90:24, 14484-14492.
    DOI: 10.1021/acs.analchem.8b04322
  34. May JC, Jurneczko E, Stow SM, Kratochvil I, Kalkhof Stefan, McLean JA, Conformational landscapes of ubiquitin, cytochrome c, and myoglobin: Uniform field ion mobility measurements in helium and nitrogen drift gas, Int J Mass Spectrom 2018, 427, 79-90.
    DOI: 10.1016/j.ijms.2017.09.014
  35. Phillips ST, Dodds JN, Ellis BM, May JC, McLean JA, Chiral separation of diastereomers of the cyclic nonapeptides vasopressin and desmopressin by uniform field ion mobility mass spectrometry, Chem Commun 2018, 54, 9398-9401.
    DOI: 10.1039/C8CC03790F
  36. Nichols CM, May JC, Sherrod SD, McLean JA, Automated Flow Injection Method for the High Precision Determination of Drift Tube Ion Mobility Collision Cross Sections, Analyst 2018, 143, 1556-1559.
    DOI: 1039/C8AN00056E
  37. Schrimpe-Rutledge AC, Sherrod SD, McLean JA, Improving the Discovery of Secondary Metabolite Natural Products Using Ion Mobility–Mass Spectrometry, Opin Chem Biol. 2018, 42, 160-166.
    DOI: 10.1016/j.cbpa.2017.12.004
  38. Harris RA, May JC, Stinson CA, Xia Y, McLean JA, Determining Double Bond Position in Lipids Using Online Ozonolysis Coupled to Liquid Chromatography and Ion Mobility-Mass Spectrometry, Anal Chem 2018, 90, 1915-1924.
    DOI: 10.1021/acs.analchem.7b04007
  39. Matta P, Sherrod SD, Marasco CC, Moore DJ, McLean JA, Weitkamp J-H, In Utero Exposure to Histological Chorioamnionitis Primes the Exometabolomic Profiles of Preterm CD4+T Lymphocytes, Immmunol 2017, 199, 3074-3085.
    DOI: 10.4049/jimmunol.1601880
  40. Norris JL, Farrow MA, Gutierrez DB, Palmer LD, Muszynski N, Sherrod SD, Pino JC, Allen JL, Spraggins JM, Lubbock ALR, Jordan A, Burns W, Poland J, Romer C, Manier ML, Nei Y, Prentice BM, Rose KL< Hill S, Van de Plas R, Tsui T, Braman NM, Keller BM, Rutherford SA, Lobdell N, Lopez CF, Lacy DB, McLean JA, Wikswo JP, Skaar EP, Caprioli RM, Integrated, High-Throughput, Multiomics Platform Enables Data-Driven Construction of Cellular Responses and Reveals Global Drug Mechanisms of Action, J. Proteome Res., 2017, 16 (3), pp 1364–1375.
    DOI: 10.1021/acs.jproteome.6b01004
  41. Stow SM, Causon TJ, Zheng X, Kurulugama RT, Mairinger T, May JC, Rennie EE, Baker ES, Smith RD, McLean JA, Hann S, Fjieldsted JC,  An Interlaboratory Evaluation of Drift Tube Ion Mobility–Mass Spectrometry Collision Cross Section Measurements, Anal. Chem., 2017, 89 (17), pp 9048–9055.
    DOI: 10.1021/acs.analchem.7b01729
  42. May JC, Morris CB, McLean JA, Ion Mobility Collision Cross Section Compendium, Anal. Chem. 2017, 89, 1032-1044.
    DOI: 10.1021/acs.analchem.6b04905
  43. Brown JA, Codreanu SG, Shi M, Sherrod SD, Markov DA, Neely MD, Britt CM, Hoilett OS, Reiserer RS, Samson PC, McCawley LJ, Webb DJ, Bowman AB, McLean JA, Wikswo JP, Metabolic Consequences of Inflammatory Disruption of the Blood-Brain Barrier in an Organ-on-Chip Model of the Human Neurovascular Unit, Journal of Neuroinflammation 2016, 13:306.
    DOI: 10.1186/s12974-016-0760-y
  44. May JC, McLean JA, Advanced Multidimensional Separations in Mass Spectrometry: Navigating the Big Data Deluge, Annual Reviews in Anal Chem 2016, 9, 387-409.
    DOI: 10.1146/annurev-anchem-071015-041734
  45. May JC, Gant-Branum RL, McLean JA, Targeting the Untargeted in Molecular Phenomics with Structurally-Selective Ion Mobility-Mass Spectrometry, Current Opinions in Biotechnology 2016, 39, 192-197.
    DOI: 10.1016/j.copbio.2016.04.013
  46. Sherrod SD, McLean JA, Systems-Wide High-Dimensional Data Acquisition and Informatics Using Structural Mass Spectrometry Strategies, Clinical Chemistry 2016, 62, 77-83.
    DOI: 10.1373/clinchem.2015.238261
  47. Schrimpe-Rutledge AC, Codreanu SG, Sherrod SD, McLean JA, Untargeted Metabolomics Strategies – Challenges and Emerging Directions, Journal of the American Society for Mass Spectrometry 2016, 27:1897.
    DOI: 10.1007/s13361-016-1469-y
  48. Montenegro-Burke JR, Bennett JM, McLean JA, Hercules DM, Novel Behavior of the Chromatographic Separation of Linear and Cyclic Polymers, Anal.and Bioanal. Chem. 2016, 408: 677.
    DOI: 10.1007/s00216-015-9198-9
  49. May JC, McLean JA, Ion Mobility-Mass Spectrometry: Time Dispersive Instrumentation, Anal. Chem. 2015, 87, 1422-1436.
    DOI: 10.1021/ac504720m
  50. Lareau NM, May JC, McLean JA, Non-Derivatized Glycan Analysis by Reverse Phase Liquid Chromatography and Ion Mobility-Mass Spectrometry, Analyst 2015, 140, 3335-3338.
    DOI: 10.1039/C5AN00152H
  51. Brown JA, Sherrod SD, Goodwin CR, Brewer B, Yang L, Garbett KA, Li D, McLean JA, Wikswo JP, Mirnics K, Metabolic Consequences of Interleukin-6 Challenge in Developing Neurons and Astroglia, Journal of Neuroinflammation 2014, 11: 183.
    DOI: 10.1186/s12974-014-0183-6
  52. Goodwin CR, Sherrod SD, Marasco CC, Bachmann BO, Schramm-Sapyta NL, Wikswo JP, McLean JA, Phenotypic Mapping of Metabolic Profiles Using Self-Organizing Maps of High-Dimensional Mass Spectrometry Data, Anal. Chem. 2014, 86 (13): 6563-6571.
    DOI: 10.1021/ac5010794


  1. KL Leaptrot, JC May, JA McLean, METHODS AND SYSTEMS FOR ION MOBILITY AND MASS ANALYSIS. US Patent App. 16/962,744, 2021
  2. Caprioli R., Wikswo J., McLean J., Skaar E., Norris J.L., Lacy D.B., Sherrod S., Pino J., Gutierrez D., Muszynski N.D., Farrow M. (2020) High-Throughput, Multi-Omics Approach to Determine and Validate De Novo Global Mechanisms of Action for Drugs and Toxins. U.S. Patent No. US10,607,721 B2.
  3. McLean, J. A., Russell, D. H., Egan, T. F., Ugarov, M. V. and Schultz, J. A. (2010) Multiplex Data Acquisition Modes for Ion Mobility-Mass Spectrometry. U. S. Patent No. US7745780B2.

Suggested Reading


  1. Leaptrot KL, May JC, Dodds JN, McLean JA, Ion mobility conformational lipid atlas for highconfidence lipidomics, Nat. Commun 2019, 10:985.
    DOI: 10.1038/s41467-019-08897
  2. Picache JA, Rose BS, Balinski A, Leaptrot KL, Sherrod SD, May JC, McLean JA, Collision cross section compendium to annotate and predict multi-omic compound identities, Chem Sci 2019, 10, 983-993.
    DOI: 10.1039/C8SC04396E
  3. Nichols CM, Dodds JN, Rose BS, Picache JA, Morris CB, Codreanu SG, May JC, Sherrod SD, McLean JA, Untargeted Molecular Discovery in Primary Metabolism: Collision Cross Section as a Molecular Descriptor in Ion Mobility-Mass Spectrometry, Anal Chem 2018, 90:24, 14484-14492.
    DOI: 10.1021/acs.analchem.8b04322
  4. Schrimpe-Rutledge AC, Codreanu SG, Sherrod SD, McLean JA, Untargeted Metabolomics Strategies – Challenges and Emerging Directions, Journal of the American Society for Mass Spectrometry 2016, 27:1897.
    DOI: 10.1007/s13361-016-1469-y
  5. Sherrod SD, McLean JA, Systems-Wide High-Dimensional Data Acquisition and Informatics Using Structural Mass Spectrometry Strategies, Clinical Chemistry 2016, 62, 77-83.
    DOI: 10.1373/clinchem.2015.238261
  6. May JC, McLean JA , A Uniform Field Ion Mobility Study of Melittin and Implications of Low-Field Mobility for Resolving Fine Cross-Sectional Detail in Peptide and Protein Experiments , Proteomics 2015, 15, 2862-2871.


  1. Han, X. Lipidomics for studying metabolism
  2. Patti, GJ. Metabolomics: the apogee of the omics trilogy
  3. Beisken, S. Getting the right answers: understanding metabolomics challenges
  4. Schymanski, EL. Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence
  5. Buchser, W. Assay Development Guidelines for Image-Based High Content Screening, High Content Analysis and High Content Imaging
  6. Taylor, DL. High Content Screening – A Powerful Approach to Systems Cell Biology and Drug Discovery

Useful Links/Resources

  1. The McLean Group
  2. Vanderbilt Department of Chemistry
  3. Center for Quantitative Sciences at Vanderbilt
    Our collaborators for advanced statistical modeling and analysis of molecular omics results for basic science, translational, and clinical research projects
  4. Vanderbilt Microbiome Initiative (VMI)
    VMI coordinates and accelerates interdisciplinary scholarship to establish long-lasting resources in microbiome research and education. This effort brings together over 170 members (faculty, staff, students) from six Vanderbilt schools to understand, translate, and disseminate the principles that shape host-microbiome interactions, microbial genomics and metabolism, intimate symbiotic relationships, virology, epidemiology, statistical modeling, and applications for precision medicine.
  5. Metabolomics Society
  6. American Society for Mass Spectrometry
  7. Metabolomics Quality Assurance and Control Consortium (mQACC)
  8. Metabolomics Databases/Libraries:
  9. Open Source Data Analysis Software: