Publication Policy

We request that any publications, posters, or oral presentations resulting from work performed by The Metabolomics Innovation Centre acknowledge TMIC. This allows the Centre to report information to our funding agencies, such as impact on Canadian researchers. Clients should also keep us apprised of any publications, posters, or oral presentations arising from work performed at TMIC.

Publication List


  1. Abou El-Magd, R.M., Vozza, N.F., Tuszynski, J.A. & Wishart, D.S. Isolation of soluble scFv antibody fragments specific for small biomarker molecule, L-Carnitine, using phage display. J. of Immunol. Methods. 428, 9-19 (2016). 26608419.
  2. Achaintre, D., Buleté, A., Cren-Olivé, C., Li, L., Rinaldi, S., Scalbert, A. Differential Isotope Labeling of 38 Dietary Polyphenols and Their Quantification in Urine by Liquid Chromatography Electrospray Ionization Tandem Mass Spectrometry. Anal Chem. 88(5): 2637-44. doi: 10.1021/acs.analchem.5b03609 (2016). 26814424.
  3. Allen, F., Greiner, R., Wishart, D.S. CFM-ID applied to CASMI 2014 Current Metabolomics, June 2016 (2016).
  4. Allen, F., Pon, A., Greiner, R., Wishart, D.S. Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 88(15):7689-97. (2016). 27381172.
  5. Arndt, D., Grant, J.R., Marcu, A., Sajed, T., Pon, A., Liang, Y., Wishart, D.S. PHASTER: a better, faster version of the PHAST phage search tool. Nucleic Acids Res. 44 (W1): W16-21 (2016). 27141966.
  6. Babicki, S., Arndt, D., Marcu, A., Liang, Y., Grant, J.R., Maciejewski, A., Wishart, D.S. Heatmapper: web-enabled heat mapping for all. Nucleic Acids Res. 44(W1): W147-53 (2016). 27190236.
  7. Bahado-Singh, R.O., Graham, S.F., Han, B., Turkoglu, O., Ziadeh, J., Mandal, R., Er, A., Wishart, D.S., Stahel, P.L. Serum metabolomic markers for traumatic brain injury: a mouse model. Metabolomics. 12(6):1-2 (2016).
  8. Bahado-Singh, R.O., Graham, S.F., Turkoglu, O., Beauchamp, K., Bjorndahl, T.C., Han, B., Mandal, R., Pantane, J., Kowalenko, T., Wishart, D.S., Stahel, P.F. Identification of candidate biomarkers of brain damage in a mouse model of closed head injury: a metabolomic pilot study. Metabolomics 12:42 (2016).
  9. Bahado-Singh, R.O., Syngelaki, A., Mandal, R., Bjorndahl, T.C., Li, L., Maulik, D., Han, B., Dong, E., Turkoglu, O., Zeb, Z., Redman, M., Wishart, D.S., Nicolaides, K.H. First-trimester metabolomics prediction of subsequent stillbirth. Am J Obstet Gynecol. 214(1):S89 - S90 (2016).
  10. Bahado-Singh, R.O., Syngelaki, A., Mandal, R., Graham, S.F., Akolekar, R., Han, B., Bjondahl, T.C., Dong, E., Bauer, S., Alpay-Savasan, Z., Turkoglu, O., Ogunyemi, D., Poon, L.C., Wishart, D.S., Nicolaides, K.H. Metabolomic determination of pathogenesis of late-onset preeclampsia. J Matern Fetal Neonatal Med. 28:1-7. (2016). 27569705.
  11. Beger, R.D., Dunn, W., Schmidt, M.A., Gross, S.S., Kirwan, J.A., Cascante, M., Brennan, L., Wishart, D.S., Oresic, M., Hankemeier, T., Broadhurst, D.I., Lane, A.N., Suhre, K., Kastenmüller, G., Sumner, S.J., Thiele, I., Fiehn, O., Kaddurah-Daouk, R. Metabolomics enables precision medicine: """"A White Paper, Community Perspective"""". Metabolomics. 12(10):149 (2016). 27642271.
  12. Bolduc, F.V., Lau, A., Rosenfelt, C.S., Langer, S., Wang, N., Smithson, L., Lefebvre, D., Alexander, R.T., Dickson, C.T., Li, L., Becker, A.B., Subbarao, P., Turvey, S.E., Pei, J., Sears, M.R., Mandhane, P.J. Cognitive Enhancement in Infants Associated with Increased Maternal Fruit Intake During Pregnancy: Results from a Birth Cohort Study with Validation in an Animal Model. EBioMedicine. 8:331-40. doi: 10.1016/j.ebiom.2016.04.025. (2016). 27428442.
  13. Bridgman, S., Koleva, P., Mandal, R., Azad, M., Field, C., Haqq, A., Becker, A., Turvey, S., Mandhane, P., Subbarao, P., Sears, M. Gut Microbiota Metabolites in Infancy: Associations with Breastfeeding and Childhood Overweight. The FASEB Journal. 30:146-3. (2016).
  14. Emwas, A.H., Roy, R., McKay, R.T., Ryan, D., Brennan, L., Tenori, L., Luchinat, C., Gao, X., Zeri, A.C., Gowda, G.A., Raftery, D., Steinbeck, C., Salek, R.M. & Wishart, D.S. Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis. J. Proteome Res. 15(2), 360-373 (2016). 26745651.
  15. Graham, S.F., Kumar, P.K., Bjorndahl, T., Han, B., Yilmaz, A., Sherman, E., Bahado-Singh, R.O., Wishart, D.S., Mann, D., Green, B.D. Metabolic signatures of Huntington's disease (HD): (1)H NMR analysis of the polar metabolome in post-mortem human brain. Biochim Biophys Acta. 2016 Sep; 1862(9): 1675-84 (2016). 27288730.
  16. Han, J., Lin, K., Sequria, C., Yang, J., Borchers, C.H. Quantitation of low molecular weight sugars by chemical derivatization-liquid chromatography/multiple reaction monitoring/mass spectrometry. Electrophoresis. 37(13): 1851-60. doi: 10.1002/elps.201600150 (2016). 27120558.
  17. Han, J., Yi, Y., Lin, K., Birks, S.J., Gibson, J.J., Borchers, C.H. Molecular profiling of naphthenic acids in technical mixtures and oil sands process-affected water using polar reversed-phase liquid chromatography-mass spectrometry. Electrophoresis. 2016 Oct 1. doi: 10.1002/elps.201600250. (2016). 27667503.
  18. Hermansen, P., MacKay, S., Wishart, D.S., Chen, J. Simulations and design of microfabricated interdigitated electrodes for use in a gold nanoparticle enhanced biosensor. Engineering in Medicine and Biology Society (EMBC), 2016 IEEE 38th Annual International Conference of the 2016 Oct 18 (pp. 299-302). IEEE. (2016).
  19. Ho, J., Sharma, A., Mandal, R., Wishart, D.S., Wiebe, C., Storsely, L., Karpinski, M., Gibson, I.W., Nickerson, P.W., Rush, D.N. Detecting Renal Allograft Inflammation Using Quantitative Urine Metabolomics and CXCL10. Transplant Direct 2 (6) doi: 10.1097/TXD.0000000000000589 (2016). 27500268.
  20. Hooton, K., Han, W., Li, L. Comprehensive and Quantitative Profiling of the Human Sweat Submetabolome Using High-Performance Chemical Isotope Labeling LC-MS. Anal Chem. 88(14): 7378-86. doi: 10.1021/acs.analchem.6b01930 (2016). 27351466.
  21. Hsin, M.K., Zamel, R., Cypel, M., Wishart, D.S., Han, B., Keshavjee, S., Liu, M.Y. Metabolic Profile of Ex Vivo Lung Perfusate Yields Biomarkers for Lung Transplant Outcomes. Annals of Surgery (2016).
  22. Huan, T., Troyer, D.A., Li, L. Metabolite Analysis and Histology on the Exact Same Tissue: Comprehensive Metabolomic Profiling and Metabolic Classification of Prostate Cancer. Sci Rep. 6:32272. doi: 10.1038/srep32272. (2016). 27578275.
  23. Huan, T., Xian, J.W., Leung, W.N., Li, L., Chan, C.W. Cerebrospinal Fluid Metabolomics After Natural Product Treatment in an Experimental Model of Cerebral Ischemia. OMICS: A Journal of Integrative Biology. 2016 Oct 12. (2016). 27732148.
  24. Janusson, E., McGarvey, G.B., Islam, F., Rowan, C., McIndoe, J.S. Selective mass spectrometric analysis of thiols using charge-tagged disulfides. Analyst. 141(19):5520-6. doi: 10.1039/c6an01210h. (2016). 27390787.
  25. Labeeuw, L., Khey, J., Bramucci, A.R., Atwal, H., de la Mata, A.P., Harynuk, J.J., Case, R.J. Indole-3-Acetic Acid Is Produced by Emiliania huxleyi Coccolith-Bearing Cells and Triggers a Physiological Response in Bald Cells. Front Microbiol. 7:828. doi: 10.3389/fmicb.2016.00828 (2016). 27375567.
  26. Lee, X.Q., Sandercock, P.M.L. & Harynuk, J.J. The influence of temperature on the pyrolysis of household materials. Anal. Appl. Pyrolysis. 118, 75-85 (2016).
  27. Li, X., Augustine, A., Sun, D., Li, L., Fliegel, L. Activation of the Na+/H+ exchanger in isolated cardiomyocytes through β-Raf dependent pathways. Role of Thr653 of the cytosolic tail. J Mol Cell Cardiol. 99:65-75. doi: 10.1016/j.yjmcc.2016.08.014. (2016). 27555478.
  28. Lopatka, M., Sampat, A.A., Jonkers, S., Adutwum, L.A., Mol, H.G., van der Weg, G., Harynuk, J.J., Schoenmakers, P.J., van Asten, A., Sjerps, M.J., Vivó-Truyols, G. Local Ion Signatures (LIS) for the examination of comprehensive two-dimensional gas chromatography applied to fire debris analysis. Forensic Chemistry (2016).
  29. Luo, X., Zhao, S., Haun, T., Sun, D., Friis, R.M.N., Schultz, M.C., Li, L. High-Performance Chemical Isotope Labeling Liquid Chromatography−Mass Spectrometry for Profiling the Metabolomic Reprogramming Elicited by Ammonium Limitation in Yeast. J Proteome Res. 15(5): 1602-12, doi: 10.1021/acs.jproteome.6b00070 (2016). 26947805.
  30. Manrai, A.K., Cui, Y., Bushel, P.R., Hall, M., Karakitsios, S., Mattingly, C., Ritchie, M., Schmitt, C., Sarigiannis, D.A., Thomas, D.C., Wishart, D.S. Informatics and Data Analytics to Support Exposome-Based Discovery for Public Health Annual Review of Public Health. 38(1). (2016).
  31. Markley, J.L., Brüschweiler, R., Edison, A.S., Eghbalnia, H.R., Powers, R., Raftery, D., Wishart, D.S. The future of NMR-based metabolomics. Curr Opin Biotechnol. 43:34-40. doi: 10.1016/j.copbio.2016.08.001. (2016). 27580257.
  32. Neveu, V., Moussy, A., Rouaix, H., Wedekind, R., Pon, A., Knox, C., Wishart, D.S., Scalbert, A. Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors. Nucleic Acids Research. gkw980. (2016).
  33. Oliynyk, A.O., Adutwum, L.A., Harynuk, J.J., Mar, A. Classifying Crystal Structures of Binary Compounds AB through Cluster Resolution Feature Selection and Support Vector Machine Analysis Chemistry of Materials. 28(18):6672-81. (2016).
  34. Pham, H.T., Arnhard, K., Asad, Y.J., Deng, L., Felder, T.K., John-Williams, L.S., Kaever, V., Leadley, M., Mitro, N., Muccio, S., Prehn, C. Inter-Laboratory Robustness of Next-Generation Bile Acid Study in Mice and Humans: International Ring Trial Involving 12 Laboratories. The Journal of Applied Laboratory Medicine: An AACC Publication. 2016 Aug 23:jalm-2016. (2016).
  35. Sajed, T., Marcu, A., Ramirez, M., Pon, A., Guo, A., Knox, C., Wilson, M., Grant, J., Djoumbou, Y. & Wishart, D.S. ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 44, D495-D501 (2016). 26481353.
  36. Shen, W., Han, W., Li, Y., Meng, Z., Cai, L., Li, L. Development of Chemical Isotope Labeling Liquid Chromatography Mass Spectrometry for Silkworm Hemolymph Metabolomics. Anal. Chim. Acta. June Cover Article (2016).
  37. Sobsey, C.A., Han, J., Lin, K., Swardfager, W., Levitt, A., Borchers, C.H. Development and evaluation of a liquid chromatography-mass spectrometry method for rapid, accurate quantitation of malondialdehyde in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 1029-1030:205-12. doi: 10.1016/j.jchromb.2016.07.013 (2016). 27437618.
  38. Su, X., Wang, N., Chen, D., Li, Y., Lu, Y., Huan, T., Xu, W., Li, L., Li, L. Dansylation isotope labeling liquid chromatography mass spectrometry for parallel profiling of human urinary and fecal submetabolomes. Anal Chim Acta. 903:100-9. doi: 10.1016/j.aca.2015.11.027 (2016). 26709303.
  39. Tarailo-Graovac, M., Shyr, C., Ross, C.J., Horvath, G.A., Salvarinova, R., Ye, X.C., Zhang, L.H., Bhavsar, A.P., Lee, J.J., Drögemöller, B.I., Abdelsayed, M., Alfadhel, M., Armstrong, L., Baumgartner, M.R., Burda, P., Connolly, M.B., Cameron, J., Demos, M., Dewan, T., Dionne, J., Evans, A.M., Friedman, J.M., Garber, I., Lewis, S., Ling, J., Mandal, R., Mattman, A., McKinnon, M., Michoulas, A., Metzger, D., Ogunbayo, O.A., Rakic, B., Rozmus, J., Ruben, P., Sayson, B., Santra, S., Schultz, K.R., Selby, K., Shekel, P., Sirrs, S., Skrypnyk, C., Superti-Furga, A., Turvey, S.E., Van Allen, M.I., Wishart, D.S., Wu, J., Wu, J., Zafeiriou, D., Kluijtmans, L., Wevers, R.A., Eydoux, P., Lehman, A.M., Vallance, H., Stockler-Ipsiroglu, S., Sinclair, G., Wasserman, W.W., van Karnebeek, C.D. Exome Sequencing and the Management of Neurometabolic Disorders. N Engl J Med. 374(23): 2246-55. doi: 10.1056/NEJMoa1515792. (2016). 27276562.
  40. Vazquez-Fresno, R., Llorach, R., Perera, A., Mandal, R., Feliz, M., Tinahones, F.J., Wishart, D.S. & Andres-Lacueva, C. Clinical phenotype clustering in cardiovascular risk patients for the identification of responsive metabotypes after red wine polyphenol intake. J Nutr Biochem. 28, 114-120 (2016). 26878788.
  41. Venkatasubramanian, A., Sauer, V.T., Roy, S.K., Xia, M., Wishart, D.S., Hiebert, W.K. Nano-optomechanical systems for gas chromatography. Nano Lett. 2016 Oct 17. (2016). 27749074.
  42. Weber, B.M., Walsh, P., Harynuk, J.J. Determination of Hydrocarbon Group-Type of Diesel Fuels by Gas Chromatography with Vacuum Ultraviolet Detection. Anal Chem. 88(11):5809-17. doi: 10.1021/acs.analchem.6b00383. (2016). 27125997.
  43. Webster, R.L., Rawson, P.M., Evans, D.J., Marriott, P.J. Quantification of trace fatty acid methyl esters in diesel fuel by using multidimensional gas chromatography with electron and chemical ionization mass spectrometry. J Sep Sci. 39(13):2537-43. doi: 10.1002/jssc.201600307. (2016). 27159197.
  44. Wishart, D.S. Emerging applications of metabolomics in drug discovery and precision medicine. Nat. Rev. Drug Discov. 2016 doi:10.1038/nrd.2016.32. (2016). 26965202.
  45. Wishart, D.S. Introduction to Cheminformatics. Curr Protoc Bioinformatics. 53:14.1.1-14.1.21 (2016). 27010335.
  46. Wishart, D.S., Mandal, R., Stanislaus, A. & Ramirez-Gaona, M. Cancer Metabolomics and the Human Metabolome Database. Metabolites 6, 10; doi: 10.3390/metabo6010010 (2016). 26950159.
  47. Wishart, D.S., Wu, A. Using DrugBank for In Silico Drug Exploration and Discovery. Curr Protoc Bioinformatics. 54:14.4.1-14.4.31. doi: 10.1002/cpbi.1. (2016). 27322405.
  48. Wu, Y., Li, L. Sample normalization methods in quantitative metabolomics. J Chromatogr A. 1430: 80-95. doi: 10.1016/j.chroma.2015.12.007 (2016). 26763302.
  49. Xia, J., Wishart, D.S. Using MetaboAnalyst 3.0 for Comprehensive Metabolomics Data Analysis. Curr Protoc Bioinformatics. 55:14.10.1-14.10.91. doi: 10.1002/cpbi.11. (2016). 27603023.
  50. Yao, L., Shen, H., Wang, N., Tatlay, J., Li, L., Tan, T.W., Lee, Y.K. Elevated acetyl-CoA by amino acid recycling fuels microalgal neutral lipid accumulation in exponential growth phase for biofuel production. Plant Biotechnol J. Oct 1. doi: 10.1111/pbi.12648. (2016). 27734577.
  51. Yu, X., Esanu, M., MacKay, S., Chen, J., Sawan, M., Wishart, D.S., Hiebert, W. An impedance detection circuit for applications in a portable biosensor system. In Circuits and Systems (ISCAS), 2016 IEEE International Symposium on 2016 May (pp. 1518-1521). IEEE. (2016).
  52. Zhao, S., Luo, X., Li, L. Chemical Isotope Labeling LC-MS for High Coverage and Quantitative Profiling of the Hydroxyl Submetabolome in Metabolomics. Anal Chem. 88(21):10617-10623. (2016). 27690392.


  1. Allen, F., Greiner, R., Wishart, D.S. Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics 11, 98-110 (2015).
  2. Bahado-Singh, R.O., Syngelaki, A., Akolekar, R., Mandal, R., Bjondahl, T.C., Han, B., Dong, E., Bauer, S., Alpay-Savasan, Z., Graham, S., Turkoglu, O., Wishart, D.S., Nicolaides, K.H. Validation of metabolomic models for prediction of early-onset preeclampsia. Am J Obstet Gynecol. 213, 530.e1-530.e10 (2015). 26116099.
  3. Brown, E.M., Wlodarska, M., Willing, B.P., Vonaesch, P., Han, J., Reynolds, L.A., Arrieta, M.C., Uhrig, M., Scholz, R., Partida, O., Borchers, C.H., Sansonetti, P.J., Finlay, B.B. Diet and specific microbial exposure trigger features of environmental enteropathy in a novel murine model. Nat. Commun. 6, 7806 (2015). 26241678.
  4. Dame, Z.T., Aziat, F., Mandal, R., Krishnamurthy, R., Bouatra, S., Borzouie, S., Guo, A.C., Sajed, T., Deng, L., Lin, H., Liu, P., Dong, E., Wishart, D.S. The Human Saliva Metabolome. Metabolomics 11:1864-1883 (2015).
  5. Denihan, N.M., Walsh, B.H., Reinke, S.N., Sykes, B.D., Mandal, R., Wishart, D.S., Broadhurst, D.I., Boylan, G.B., Murray, D.M. The effect of haemolysis on the metabolomic profile of umbilical cord blood. Clin Biochem. 48(7-8):534-7 (2015). 25697106.
  6. Emwas, A.H., Luchinat, C., Turano, P., Tenori, L., Roy, R., Salek, R.M., Ryan, D., Merzaban, J.S., Kaddurah-Daouk, R., Zeri, A.C., Nagana Gowda, G.A., Raftery, D., Wang, Y., Brennan, L., Wishart, D.S. Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review. Metabolomics 11, 872-894 (2015). 26109927.
  7. Fatima, T., Kesari, V., Watt, I., Wishart, D.S., Todd, J.F., Schroeder, W.R., Paliyath, G., Krishna, P. Metabolite profiling and expression analysis of flavonoid, vitamin C and tocopherol biosynthesis genes in the antioxidant-rich sea buckthorn (Hippophae rhamnoides L.) Phytochemistry. 118:181-91 (2015). 26318327.
  8. Hagel, J.M., Mandal, R., Han, B., Han, J., Dinsmore, D.R., Borchers, C.H., Wishart, D.S. & Facchini, P.J. Metabolome analysis of 20 taxonomically related benzylisoquinoline alkaloid-producing plants. BMC Plant Biol. 15:220 (2015). 26369413.
  9. Han, J., Lin, K., Sequeira, C. & Borchers, C.H. An isotope-labeled chemical derivatization method for the quantitation of short-chain fatty acids in human feces by liquid chromatography-tandem mass spectrometry. Anal Chim Acta. 854, 86-94 (2015). 25479871.
  10. Han, J., Liu, Y., Wang, R., Yang, J., Ling, V. & Borchers, C.H. Metabolic Profiling of Bile Acids in Human and Mouse Blood by LC-MS/MS in Combination with Phospholipid-Depletion Solid-Phase Extraction. Anal Chem. 87, 1127-1136 (2015). 25496250.
  11. Han, J., Parker, C., Borchers, C.H. Chapter one. Chemical derivatization to enhance metabolomic analysis by LC/ESI-MS. """"Advanced LC-MS Applications in Metabolomics"""", May 2015 Future Science. eisbn: 978-1-910419-44-1 (2015).
  12. Han, W. & Li, L. Matrix effect on chemical isotope labeling and its implication in metabolomic sample preparation for quantitative metabolomics. Metabolomics 11(6), 1733-1742 (2015).
  13. Huan, T. & Li, L. Counting Missing Values in a Metabolite-Intensity Data Set for Measuring the Analytical Performance of a Metabolomics Platform. Anal. Chem. 87, 1306-1313 (2015). 25496403.
  14. Huan, T. & Li, L. Quantitative Metabolome Analysis Based on Chromatographic Peak Reconstruction in Chemical Isotope Labeling Liquid Chromatography Mass Spectrometry. Anal. Chem. 87, 7011-7016 (2015). 26086729.
  15. Huan, T., Tang, C., Li, R., Shi, Y., Lin, G., Li, L. MyCompoundID MS/MS Search: Metabolite Identification Using a Library of Predicted Fragment-Ion-Spectra of 383,830 Possible Human Metabolites. Anal Chem. 87(20): 10619-26. doi: 10.1021/acs.analchem.5b03126 (2015). 26415007.
  16. Huan, T., Wu, Y., Tang, C., Lin, G. & Li, L. DnsID in MyCompoundID for Rapid Identification of Dansylated Amine- and Phenol-Containing Metabolites in LC-MS-Based Metabolomics. Anal. Chem. 87, 9838-9845 (2015). 26327437.
  17. Huang, W., Blinov, N., Wishart, D.S., Kovalenko, A. Role of Water in Ligand Binding to Maltose-Binding Protein: Insight from a New Docking Protocol Based on the 3D-RISM-KH Molecular Theory of Solvation. J. Chem. Inf. Model. 55(2):317-328 (2015). 25545470.
  18. Li, Z., Tatlay, J., Li, L. Nanoflow LC-MS for High-Performance Chemical Isotope Labeling Quantitative Metabolomics. Anal Chem. 2015 87(22): 11468-74. doi: 10.1021/acs.analchem.5b03209 (2015). 26482335.
  19. Liu, Y., Liang, Y. & Wishart, D.S. PolySearch2: a significantly improved text-mining system for discovering associations between human diseases, genes, drugs, metabolites, toxins and more. Nucleic Acids Res. 43, W535-W542 (2015). 25925572.
  20. MacKay, S., Hermansen, P., Wishart, D.S., Chen, J. Simulations of Interdigitated Electrode Interactions with Gold Nanoparticles for Impedance-Based Biosensing Applications. Sensors (Basel). 15(9):22192-208 (2015). 26364638.
  21. Pon, A., Jewison, T., Su, Y., Liang, Y., Knox, C., Maciejewski, A., Wilson, M. & Wishart, D.S. Pathways with PathWhiz. Nucleic Acids Res. 43, W552-W559 (2015). 25934797.
  22. Ravanbakhsh, S., Liu, P., Bjordahl, T.C., Mandal, R., Grant, J.R., Wilson, M., Eisner, R., Sinelnikov, I., Hu, X., Luchinat, C., Greiner, R. & Wishart, D.S. Correction: Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PloS One. 10, e0132873 (2015). 26222058.
  23. Silva, A.C., Ebrahimi-Najafadabi, H., McGinitie, T.M., Casilli, A., Pereira, H.M., Aquino Neto, F.R. & Harynuk, J.J. Thermodynamic-based retention time predictions of endogenous steroids in comprehensive two-dimensional gas chromatography. Anal Bioanal Chem. 407, 4091-4099 (2015). 25845527.
  24. Sirrs, S., Peng, X., Shyr, C., Tarailo-Graovac, M., Mandal, R., Testa, D., Dubin, D., Carbonetti, G., Glynn, S.E., Sayson, B., Robinson, W.P., Han, B., Wishart, D.S., Ross, C.J., Wasserman, W.W., Hurwitz, T.A., Sinclair, G., Kaczocha, M., van Karnebeek C.D. Defects in fatty acid amide hydrolase 2 associated with developmental and psychiatric disorders. Mol. Genet. Metabolism. 114:355-356. (2015).
  25. Sirrs, S., van Karnebeek C.D., Peng, X., Shyr, C., Tarailo-Graovac, M., Mandal, R., Testa, D., Dubin, D., Carbonetti, G., Glynn, S.E., Sayson, B., Robinson, W.P., Han, B., Wishart, D.S., Ross, C.J., Wasserman, W.W., Hurwitz, T.A., Sinclair, G., Kaczocha, M. Defects in fatty acid amide hydrolase 2 in a male with neurologic and psychiatric symptoms. Orphanet J. Rare Dis. 10:38. (2015). 25885783.
  26. Stanley, J.L., Sulek, K., Andersson, I.J., Davidge, S.T., Kenny, L.C., Sibley, C.P., Mandal, R., Wishart, D.S., Broadhurst, D.I. & Baker, P.N. Sildenafil Therapy Normalizes the Aberrant Metabolomic Profile in the Comt(-/-) Mouse Model of Preeclampsia/Fetal Growth Restriction. Sci. Rep. 5, 18241 (2015). 26667607.
  27. Szabat, M., Page, M.M., Panzhinskiy, E., Skovsø, S., Mojibian, M., Fernandez-Tajes, J., Bruin, J.E., Bround, M.J., Lee, J.T., Xu, E.E., Taghizadeh, F., O'Dwyer, S., van de Bunt, M., Moon, K.M., Sinha, S., Han, J., Fan, Y., Lynn, F.C., Trucco, M., Borchers, C.H., Foster, L.J., Nislow, C., Kieffer, T.J., Johnson, J.D. Reduced Insulin Production Relieves Endoplasmic Reticulum Stress and Induces β Cell Proliferation. Cell Metab. 23(1): 179-93. doi: 10.1016/j.cmet.2015.10.016 (2015). 26626461.
  28. Wishart, D.S. Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking. Methods Mol. Biol. 1215:425-444 (2015). 25330974.
  29. Wishart, D.S. Is Cancer a Genetic Disease or a Metabolic Disease? EBioMedicine 2, 478-479 (2015). 26288805.
  30. Wishart, D.S., Arndt, D., Pon, A., Sajed, T., Guo, A.C., Djoumbou, Y., Knox, C., Wilson, M., Liang, Y., Grant, J., Liu, Y., Goldansaz, S.A. & Rappaport, S.M. T3DB: the toxic exposome database. Nucleic Acids Res. 43, D928-D934 (2015). 25378312.
  31. Xia, J., Sinelnikov, I.V., Han, B. & Wishart, D.S. MetaboAnalyst 3.0--making metabolomics more meaningful. Nucleic Acids Res. 43, W251-W257 (2015). 25897128.
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  18. Rush, D., Mandal, R., Wishart, D., Wiebe, C., Ho, J., Storsely, L., Karpinski, M, Gibson, I., Nickerson, P. Non‐Invasive Diagnosis of Renal Allograft Inflammation Using Quantitative Urine Metabolomics. Transplantation 94, 1186 (2012).
  19. Saleem, F., Ametaj, B.N., Bouatra, S., Mandal, R., Zebeli, Q., Dunn, S.M. & Wishart, D.S. A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows. J Dairy Sci 95, 6606-6623 (2012). 22959937.
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  22. Walsh, B.H., Broadhurst, D.I., Mandal, R., Wishart, D.S., Boylan, G.B., Kenny, L.C. & Murray, D.M. The metabolomic profile of umbilical cord blood in neonatal hypoxic ischaemic encephalopathy. PLoS One 7, e50520 (2012). 23227182.
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  1. Antunes, L.C., Andersen, S.K., Menendez, A., Arena, E.T., Han, J., Ferreira, R.B., Borchers, C.H. & Finlay, B.B. Metabolomics reveals phospholipids as important nutrient sources during Salmonella growth in bile in vitro and in vivo. J Bacteriol 193, 4719-4725 (2011). 21764918.
  2. Antunes, L.C., Arena, E.T., Menendez, A., Han, J., Ferreira, R.B., Buckner, M.M., Lolic, P., Madilao, L.L., Bohlmann, J., Borchers, C.H. & Finlay, B.B. Impact of Salmonella infection on host hormone metabolism revealed by metabolomics. Infect Immun 79, 1759-1769 (2011). 21321075.
  3. Arena, E.T., Auweter, S.D., Antunes, L.C., Vogl, A.W., Han, J., Guttman, J.A., Croxen, M.A., Menendez, A., Covey, S.D., Borchers, C.H. & Finlay, B.B. The deubiquitinase activity of the Salmonella pathogenicity island 2 effector, SseL, prevents accumulation of cellular lipid droplets. Infect Immun 79, 4392-4400 (2011). 21875964.
  4. Bhomkar, P., Materi, W. and Wishart, D.S. The bacterial nanorecorder: engineering E. coli to function as a chemical recording device. PLoS One. 6(11):e27559 (2011). 22132112.
  5. Blydt-Hansen, T.D., Mandal, R. & Wishart, D.S. Urine Metabolite Profiles Distinguish Acute Rejection from Acute Allograft Injury and Normal Functioning Allografts in Pediatric Renal Tranpslant Recipients. Pediatric Transplantation 15, SI98-99 (2011).
  6. Clements, M. & Li, L. Strategy of using microsome-based metabolite production to facilitate the identification of endogenous metabolites by liquid chromatography mass spectrometry. Anal Chim Acta 685, 36-44 (2011). 21168549.
  7. Eisner, R., Stretch, C., Eastman, T., Xia, J. Hau, D., Damaraju, S., Greiner, R., Wishart, D., Baracos, V. Learning to predict cancer-associated skeletal muscle wasting from 1H-NMR profiles of urinary metabolites. Metabolomics 7, 25–34 (2011).
  8. Guo, K., Bamforth, F. & Li, L. Qualitative metabolome analysis of human cerebrospinal fluid by 13C-/12C-isotope dansylation labeling combined with liquid chromatography Fourier transform ion cyclotron resonance mass spectrometry. J Am Soc Mass Spectrom 22, 339-347 (2011). 21472593.
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  11. Knox, C., Law, V., Jewison, T., Liu, P., Ly, S., Frolkis, A., Pon, A., Banco, K., Mak, C., Neveu, V., Djoumbou, Y., Eisner, R., Guo, A.C. & Wishart, D.S. DrugBank 3.0: a comprehensive resource for """"omics"""" research on drugs. Nucleic Acids Res 39, D1035-D1041 (2011). 21059682.
  12. Lin, D., Hollander, Z., Meredith, A., Stadnick, E., Sasaki, M., Cohen Freue, G., Qasimi, P., Mui, A., Ng, R.T., Balshaw, R., Wilson-McManus, J.E., Wishart, D., Hau, D., Keown, P.A., McMaster, R. & McManus, B.M. Molecular signatures of end-stage heart failure. J Card Fail. 17, 867-874 (2011). 21962426.
  13. Mercier, P., Lewis, M.J., Chang, D., Baker, D. & Wishart, D.S. Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra. J Biomol NMR 49, 307-323 (2011). 21360156.
  14. Orchard, S., Al-Lazikani, B., Bryant, S., Clark, D., Calder, E., Dix, I., Engkvist, O., Forster, M., Gaulton, A., Gilson, M., Glen, R., Grigorov, M., Hammond-Kosack, K., Harland, L., Hopkins, A., Larminie, C., Lynch, N., Mann, R. K., Murray-Rust, P., Lo Piparo, E., Southan, C., Steinbeck, C., Wishart, D., Hermjakob, H., Overington, J. & Thornton, J. Minimum information about a bioactive entity (MIABE). Nat Rev Drug Discov 10, 661-669 (2011). 21878981.
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  16. Psychogios, N., Hau, D.D., Peng, J., Guo, A.C., Mandal, R., Bouatra, S., Sinelnikov, I., Krishnamurthy, R., Eisner, R., Gautam, B., Young, N., Xia, J., Knox, C., Dong, E., Huang, P., Hollander, Z., Pedersen, T.L., Smith, S.R., Bamforth, F., Greiner, R., McManus, B., Newman, J.W., Goodfriend, T. & Wishart, D.S. The human serum metabolome. PLoS One 6, e16957 (2011). 21359215.
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We request that any publications, posters, or oral presentations resulting from work performed by The Metabolomics Innovation Centre acknowledge TMIC. This allows the Centre to report information to our funding agencies, such as impact on Canadian researchers. Clients should also keep us apprised of any publications, posters, or oral presentations arising from work performed at TMIC.