Lab technician

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 last updated December 20, 2021.

Publication List


  1. Jain, A., Huang, R., Lee, J., Jawa, N., Lim, Y. J., Guron, M., Abish, S., Boutros, P. C., Brudno, M., Carleton, B., Cuvelier, G. D. E., Gunaratnam, L., Ho, C., Adeli, K., Kuruvilla, S., Lajoie, G., Liu, G., Nathan, P. C., Rassekh, S. R., Rieder, M., Waikar, S. S., Welch, S. A., Weir, M. A., Winquist, E., Wishart, D. S., Zorzi, A. P., Blydt-Hansen, T., Zappitelli, M., & Urquhart, B. (2021). A canadian study of cisplatin metabolomics and nephrotoxicity (ACCENT): A clinical research protocol. Sage Journals, 8. DOI: 10.1177/20543581211057708 PubMed ID: 34820133
  2. Zheng, J., Johnson, M., Mandal, R., & Wishart, D.S. (2021). A comprehensive targeted metabolomics assay for crop plant sample analysis. Metabolites, 11(5), 303. DOI: 10.3390/metabo11050303 PubMed ID: 34064699
  3. Shanmuganathan, M., Sarfaraz, M.O., Kroezen, Z., Philbrick, H., Poon, R., Don-Wauchope, A., Puglia, M., Wishart, D.S., & Britz-McKibbin, P. (2021). A cross-platform metabolomics comparison identifies serum metabolite signatures of liver fibrosis progression in chronic hepatitis C patients. Frontiers in Molecular Biosciences, 8. DOI: 10.3389/fmolb.2021.676349 PubMed ID: 34414211
  4. Skinnider, M.A., Wang, F., Pasin, D., Greiner, R., Foster, L.J., Dalsgaard, P.W., & Wishart, D.S. (2021). A deep generative model enables automated structure elucidation of novel psychoactive substances. Nature Machine Intelligence, 3(11), 973-984. DOI: 10.1038/s42256-021-00407-x
  5. G. Zhang, R.Mandal, David S. Wishart, and B. Ametaj (2021). A Multi-Platform Metabolomics Approach Identifies Urinary Metabolite Signatures that Differentiate Ketotic from Healthy Dairy Cows. Fronteirs in Veterinary Science, DOI: 10.3389/fvets.2021.595983 PubMed ID: 33575283
  6. Zhang, G., Tobolski, D., Zwierzchowski, G., Mandal, R., Wishart, D.S., & Ametaj, B.N. (2021). A targeted serum metabolomics gc–ms approach identifies predictive blood biomarkers for retained placenta in holstein dairy cows. Metabolites, 11(9), 633. DOI: 10.3390/metabo11090633 PubMed ID: 34564449
  7. Wu, L., Han, Y., Zheng, Z., Peng, G., Liu, P., Yue, S., Zhu, S., Chen, J., Lv, H., Shao, L., Sheng, Y., Wang, Y., Li, L., Li, L., & Wang, B. (2021). Altered gut microbial metabolites in amnestic mild cognitive impairment and alzheimer’s disease: Signals in host–microbe interplay. Nutrients, 13(1), 228. DOI: 10.3390/nu13010228 PubMed ID: 33466861
  8. Armstrong, M.S., de la Mata, A.P., & Harynuk, J.J. (2021). An efficient and accurate numerical determination of the cluster resolution metric in two dimensions. Journal of Chemometrics, 35(7-8), e3346. DOI: 10.1002/cem.3346
  9. Levatte, M., Keshteli, A.H., Zarei, P., & Wishart, D.S. (2021). Applications of metabolomics to precision nutrition. Lifestyle Genomics, DOI: 10.1159/000518489 PubMed ID: 34518463
  10. Nam, S.L., de la Mata, A.P., & Harynuk, J.J. (2021). Automated screening and filtering scripts for gc×gc-tofms metabolomics data. Separations, 8(6), 84. DOI: 10.3390/separations8060084
  11. Almblad, H., Randall, T.E., Liu, F., Leblanc, K., Groves, R.A., Kittichotirat, W., Winsor, G.L., Fournier, N., Au, E., Groizeleau, J., Rich, J.D., Lou, Y., Granton, E., Jennings, L.K., Singletary, L.A., Winstone, T.M.L., Good, N.M., Bumgarner, R.E., Hynes, M.F., Singh, M., Stietz, M.S., Brinkman, F.S.L., Kumar, A., Brassinga, A.K.C., Parsek, M.R., Tseng, B.S., Lewis, I.A., Yipp, B.G., MacCallum, J.L., & Harrison, J.J. (2021). Bacterial cyclic diguanylate signaling networks sense temperature. Nature Communications, 12(1), 1986. DOI: 10.1038/s41467-021-22176-2 PubMed ID: 33790266
  12. Wang, F., Liigand, J., Tian, S., Arndt, D., Greiner, R., & Wishart, D.S. (2021). CFM-ID 4.0: More accurate ESI-MS/MS spectral prediction and compound identification. Analytical Chemistry, 93(34), 11692-11700. DOI: 10.1021/acs.analchem.1c01465 PubMed ID: 34403256
  13. Loebel Roson, M., Duruisseau-Kuntz, R., Wang, M., Klimchuk, K., Abel, R.J., Harynuk, J.J., & Zhao, R. (2021). Chemical characterization of emissions arising from solid fuel combustion - Contrasting wood and cow dung burning. ACS Earth and Space Chemistry, 5(10), 2925-2937. DOI: 10.1021/acsearthspacechem.1c00268
  14. Zhao, S. & Li, L. (2021). Chemical derivatization for polar metabolome analysis. Advanced Mass Spectrometry-based Analytical Separation Techniques for Probing the Polar Metabolome,, 10. DOI: 10.1039/9781839163524-00027
  15. Zhao, S. & Li, L. (2021). Chemical isotope labeling LC-MS for metabolomics. Advances in Experimental Medicine and Biology, 1280. DOI: 10.1007/978-3-030-51652-9_1
  16. Skinnider, M.A., Stacey, R.G., Wishart, D.S., & Foster, L.J. (2021). Chemical language models enable navigation in sparsely populated chemical space. Nature Machine Intelligence, 3(9), 759-770. DOI: 10.1038/s42256-021-00368-1
  17. Buzatto, A.Z., Tatlay, J., Bajwa, B., Mung, D., Camicioli, R., Dixon, R.A., & Li, L. (2021). Comprehensive serum lipidomics for detecting incipient dementia in parkinson's disease. Journal of Proteome Research, 20(8), 4053-4067. DOI: 10.1021/acs.jproteome.1c00374 PubMed ID: 34251208
  18. Shute, A., Callejas, B.E., Li, S.H., Wang, A., Jayme, T.S., Ohland, C., Lewis, I.A., Layden, B.T., Buret, A.G., & McKay, D.M. (2021). Cooperation between host immunity and the gut bacteria is essential for helminth-evoked suppression of colitis. Microbiome, 9(1), 186. DOI: 10.1186/s40168-021-01146-2 PubMed ID: 34517928
  19. Goonewardene, K.B., Karu, N., Ahmed, K.A., Popowich, S., Chow-Lockerbie, B., Ayalew, L.E., Karunarathna, R., Gunawardana, T., Liu, M., Tikoo, S.K., Foldvari, M., Willson, P., Mandal, R., Wishart, D.S., & Gomis, S. (2021). CpG-ODN induced antimicrobial immunity in neonatal chicks involves a substantial shift in serum metabolic profiles. Scientific reports, 11(1), 9028. DOI: 10.1038/s41598-021-88386-2 PubMed ID: 33907214
  20. Tian, S., Cao, X., Greiner, R., Li, C., Guo, A., & Wishart, D.S. (2021). CyProduct: A software tool for accurately predicting the byproducts of human cytochrome P450 metabolism. Journal of Chemical Information and Modeling, 61(6), 3128-3140. DOI: 10.1021/acs.jcim.1c00144 PubMed ID: 34038112
  21. Skinnider, M.A., Stacey, R.G., Wishart, D.S. & Foster, L.J. (2021). Deep generative models enable navigation in sparsely populated chemical space.. ChemRxiv,
  22. Gauthier, A.E., Chandler, C.E., Poli, V., Gardner, F.M., Tekiau, A., Smith, R., Bonham, K.S., Cordes, E.E., Shank, T.M., Zanoni, I., Goodlett, D.R., Biller, S.J., Ernst, R.K., Rotjan, R.D., & Kagan, J.C. (2021). Deep-sea microbes as tools to refine the rules of innate immune pattern recognition. Science Immunology, 6(57), eabe0531. 10.1126/SCIIMMUNOL.ABE0531 PubMed ID: 33712473
  23. Bruce, C. Y., Shanmuganathan, M., Azab, S. M.m Britz-McKibbin, P., Anand, S. S., de Souza, R. J., & Stearns, J. C. (2021). Effects of diet on the microbiome and serum metabolome of south asian infants at 1 year. medRxiv, 10.1101/2021.09.28.21264268
  24. Anklam, E., Bahl, M.I., Ball, R., Beger, R.D., Cohen, J., Fitzpatrick, S., Girard, P., Halamoda-Kenzaoui, B., Hinton, D., Hirose, A., Hoeveler, A., Honma, M., Hugas, M., Ishida, S., Kass, G.E., Kojima, H., Krefting, I., Liachenko, S., Liu, Y., Masters, S., Marx, U., McCarthy, T., Mercer, T., Patri, A., Pelaez, C., Pirmohamed, M., Platz, S., Ribeiro, A.J., Rodricks, J.V., Rusyn, I., Salek, R.M., Schoonjans, R., Silva, P., Svendsen, C.N., Sumner, S., Sung, K., Tagle, D., Tong, L., Tong, W., Eijnden-van-Raaij, J.V.D., Vary, N., Wang, T., Waterton, J., Wang, M., Wen, H., Wishart, D.S., Yuan, Y., & Slikker, W.Jr. (2021). Emerging technologies and their impact on regulatory science. Experimental Biology and Medicine, 10.1177/15353702211052280 PubMed ID: 34783606
  25. Buzatto, A.Z., Malkawi, A., Sabi, E.M., Mujamammi, A.H., Li, L., & Abdel Rahman, A.M. (2021). Erratum: Tissue lipidomic alterations induced by prolonged dexamethasone treatment. Journal of Proteome Research, 20(5), 3014. 10.1021/acs.jproteome.1c00198 PubMed ID: 33761264
  26. Foroutan, A., Wishart, D.S. & Fitzsimmons, C. (2021). Exploring biological impacts of prenatal nutrition and selection for residual feed intake on beef cattle using omics technologies: A review. Frontiers in Genetics, 12. 10.3389/fgene.2021.720268 PubMed ID: 34790219
  27. Park, S., Guo, Y., Negre, J., Preto, J., Smithers, C.C., Azad, A.K., Overduin, M., Murray, A.G., & Eitzen, G. (2021). Fgd5 is a Rac1-specific Rho GEF that is selectively inhibited by aurintricarboxylic acid. Small GTPases, 12(2), 147-160. 10.1080/21541248.2019.1674765 PubMed ID: 31601145
  28. Armstrong, M.D., Campos, O.R.A., Bannon, C.C., de la Mata, P., Case, R.J. & Harynuk, J.J. (2021). Global metabolome analysis of dunaliella tertiolecta, phaeobacter italicus R11 co-cultures using thermal desoprtion-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. bioRxiv, 10.1101/2021.09.27.461748
  29. Su, X., Yu, J., Wang, N., Zhao, S., Han, W., Chen, D., Li, L., & Li, L. (2021). High-coverage metabolome analysis reveals significant diet effects of autoclaved and irradiated feed on mouse fecal and urine metabolomics. Molecular Nutrition and Food Research, 65(12), e2100110. DOI: 10.1002/mnfr.202100110 PubMed ID: 33861501
  30. Su, X., Chen, D., Li, L., & Li, L. (2021). High-coverage quantitative liver metabolomics using perfused and non-perfused liver tissues. Analytica Chimica Acta, 1153. DOI: 10.1016/j.aca.2021.338300 PubMed ID: 33714446
  31. Wishart, D. S., Guo, A., Oler, E., Wang, F., Anjum, A., Peters, H., Dizon, R., Sayeeda, Z., Tian, S., Lee, B. L., Berjanskii, M., Mah, R., Yamamoto, M., Jovel, J., Torres-Calzada, C., Hiebert-Giesbrecht, M., Lui, V. W., Varshavi, D., Varshavi, D., Allen, D., Arndt, D., Khetarpal, N., Sivakumaran, A., Harford, K., Sanford, S., Yee, K., Cao, X., Budinski, Z., Liigand, J., Zhang, L., Zheng, J., Mandal, R., Karu, N., Dambrova, M., Schiöth, H. B., Greiner, R., & Gautam, V. (2021). HMDB 5.0: the human metabolome database for 2022. Nucleic Acids Research, 10.1093/nar/gkab1062
  32. Oostdam, A.S.H.-V., Castañeda-Delgado, J.E., Oropeza-Valdez, J.J., Borrego, J.C., Monárrez-Espino, J., Zheng, J., Mandal, R., Zhang, L., Soto-Guzmán, E., Fernández-Ruiz, J.C., Ochoa-González, F., Trejo Medinilla, F.M., López, J.A., Wishart, D.S., Enciso-Moreno, J.A., & López-Hernández, Y. (2021). Immunometabolic signatures predict risk of progression to sepsis in COVID-19. PLoS ONE, 16(8), e0256784. 10.1371/journal.pone.0256784 PubMed ID: 34460840
  33. McCubbin, K.D., Anholt, R.M., de Jong, E., Ida, J.A., Nóbrega, D.B., Kastelic, J.P., Conly, J.M., Götte, M., McAllister, T.A., Orsel, K., Lewis, I., Jackson, L., Plastow, G., Wieden, H.J., McCoy, K., Leslie, M., Robinson, J.L., Hardcastle, L., Hollis, A., Ashbolt, N.J., Checkley, S., Tyrrell, G.J., Buret, A.G., Rennert-May, E., Goddard, E., Otto, S.J.G., & Barkema, H.W. (2021). Knowledge gaps in the understanding of antimicrobial resistance in canada. Frontiers in Public Health, 9. 10.3389/fpubh.2021.726484 PubMed ID: 34778169
  34. Buzatto, A.Z., Abdel Jabar, M., Nizami, I., Dasouki, M., Li, L., & Abdel Rahman, A.M. (2021). Lipidome alterations induced by cystic fibrosis, CFTR mutation, and lung function. Journal of Proteome Research, 20(1), 549-564. DOI: 10.1021/acs.jproteome.0c00556 PubMed ID: 33089695
  35. Wishart, D.S., Bartok, B., Oler, E., Liang, K.Y.H., Budinski, Z., Berjanskii, M., Guo, A., Cao, X., & Wilson, M. (2021). MarkerDB: An online database of molecular biomarkers. Nucleic Acids Research, 49(D1), D1259-D1267. DOI: 10.1093/nar/gkaa1067 PubMed ID: 33245771
  36. Rydzak, T., Groves, R.A., Zhang, R., Pushpker, R., Mapar, M. & Lewis, I.A. (2021). Metabolic preference assay for rapid diagnosis of bloodstream infections. medRxiv, 10.1101/2021.04.09.21255220
  37. Lu, X., Zhu, X., Chen, D., Zhou, J., Yu, J., Xie, J., Yan, S., Cao, H., Li, L. & Li, L. (2021). Metabolic profile of irradiated whole blood by chemical isotope-labeling liquid chromatography-mass spectrometry. Journal of Pharmaceutical and Biomedical Analysis, 204. 10.1016/j.jpba.2021.114247 PubMed ID: 34252821
  38. Khoramipour, K., Sandbakk, Ø., Keshteli, A.H., Gaeini, A.A., Wishart, D.S., & Chamari, K. (2021). Metabolomics in exercise and sports: A systematic review. Sports Medicine, 10.1007/s40279-021-01582-y PubMed ID: 34716906
  39. Luo, X. & Li, L. (2021). Metabolomics of small numbers of cells using chemical isotope labeling combined with nanoflow LC-MS. Neuromethods, 159. 10.1007/978-1-0716-0864-7_4
  40. Sriwi, D., Alabdaljabar, M.S., Jacob, M., Mujamammi, A.H., Gu, X., Sabi, E.M., Li, L., Hussein, M.H., Dasouki, M., & Abdel Rahman, A.M. (2021). Metabolomics profiling of cystic renal disease towards biomarker discovery. Biology, 10(8), 770. 10.3390/biology10080770 PubMed ID: 34440002
  41. Gregson, D.B., Wildman, S.D., Chan, C.C., Bihan, D.G., Groves, R.A., Rydzak, T., Pittman, K. & Lewis, I.A. (2021). Metabolomics strategy for diagnosing urinary tract infections. medRxiv, 10.1101/2021.04.07.21255028
  42. Michael Overduin, H. Wille, and D. Westaway (2021). Multisite Interactions of Prions with Membranes and Native Nanodiscs. Chemistry and Physics of Lipids, DOI: 10.1016/j.chemphyslip.2021.105063 PubMed ID: 33600804
  43. Baddam, P., Biancardi, V., Roth, D.M., Eaton, F., Thereza-Bussolaro, C., Mandal, R., Wishart, D.S., Barr, A., MacLean, J., Flores-Mir, C., Pagliardini, S., & Graf, D. (2021). Neural crest-specific loss of Bmp7 leads to midfacial hypoplasia, nasal airway obstruction and disordered breathing, modeling obstructive sleep apnea. DMM Disease Models and Mechanisms, 14(2), dmm047738. DOI: 10.1242/dmm.047738 PubMed ID: 33431521
  44. Saoi, M. & Britz-Mckibbin, P. (2021). New advances in tissue metabolomics: A review. Metabolites, 11(10), 672. DOI: 10.3390/metabo11100672 PubMed ID: 34677387
  45. Verma, U., Gautam, M., Parmar, B., Khaire, K., Wishart, D.S., & Balakrishnan, S. (2021). New insights into the obligatory nature of cyclooxygenase-2 and PGE2 during early chick embryogenesis. Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids, 1866(4), 158889. DOI: 10.1016/j.bbalip.2021.158889 PubMed ID: 33454433
  46. Ly, R., Ly, N., Sasaki, K., Suzuki, M., Kami, K., Ohashi, Y., & Britz-Mckibbin, P. (2021). Nontargeted serum lipid profiling of nonalcoholic steatohepatitis by multisegment injection-nonaqueous capillary electrophoresis-mass spectrometry: A multiplexed separation platform for resolving ionic lipids. Journal of Proteome Research, 10.1021/acs.jproteome.1c00682 PubMed ID: 34676758
  47. Luo, X., Wu, Y., & Li, L. (2021). Normalization of samples of limited amounts in quantitative metabolomics using liquid chromatography fluorescence detection with dansyl labeling of metabolites. Analytical Chemistry, 93(7), 3418-3425. DOI: 10.1021/acs.analchem.0c04508 PubMed ID: 33554593
  48. Wishart, D.S., Sayeeda, Z., Budinski, Z., Guo, A., Lee, B.L., Berjanskii, M., Rout, M., Peters, H., Dizon, R., Mah, R. & Torres-Calzada, C. (2021). NP-MRD: The natural products magnetic desonance database. Nucleic Acids Research, 10.1093/nar/gkab1052
  49. Rafiq, T., Azab, S.M., Teo, K.K., Thabane, L., Anand, S.S., Morrison, K.M., de Souza, R.J. & Britz-McKibbin, P. (2021). Nutritional metabolomics and the classification of dietary biomarker candidates: A critical review. Advances in Nutrition, 12(6), 2333-2357. DOI: 10.1093/advances/nmab054 PubMed ID: 34015815
  50. A. N. Michi, B. G. Yipp, A. Dufour, F. Lopes, and D. Proud (2021). PGC-1α Mediates a Metabolic Host Defense Rsponse in Human Airway Epithelium During Rhinovirus Infections. Nature Communications, DOI: 10.1038/s41467-021-23925-z
  51. Kervin, T.A., Wiseman, B.C., & Overduin, M. (2021). Phosphoinositide recognition sites are blocked by metabolite attachment. Frontiers in Cell and Developmental Biology, 9. 10.3389/fcell.2021.690461 PubMed ID: 34368138
  52. Shahid, I., Han, J., Hardie, D., Baig, D.N., Malik, K.A., Borchers, C.H., & Mehnaz, S. (2021). Profiling of antimicrobial metabolites of plant growth promoting Pseudomonas spp. isolated from different plant hosts. 3 Biotech, 11(2), 48. 10.1007/s13205-020-02585-8 PubMed ID: 33489669
  53. Shahid, I., Han, J., Hanooq, S., Malik, K.A., Borchers, C.H., & Mehnaz, S. (2021). Profiling of metabolites of bacillus spp. and their application in sustainable plant growth promotion and biocontrol. Frontiers in Sustainable Food Systems, 5. DOI: 10.3389/fsufs.2021.605195
  54. Kervin, T.A. & Overduin, M. (2021). Regulation of the phosphoinositide code by phosphorylation of membrane readers. Cells, 10(5), 1205. DOI: 10.3390/cells10051205 PubMed ID: 34069055
  55. Tomlinson, K.L., Lung, T.W.F., Dach, F., Annavajhala, M.K., Gabryszewski, S.J., Groves, R.A., Drikic, M., Francoeur, N.J., Sridhar, S.H., Smith, M.L., Khanal, S., Britto, C.J., Sebra, R., Lewis, I., Uhlemann, A.C., Kahl, B.C., Prince, A.S., & Riquelme, S.A. (2021). Staphylococcus aureus induces an itaconate-dominated immunometabolic response that drives biofilm formation. Nature Communications, 12(1), 1399. DOI: 10.1038/s41467-021-21718-y PubMed ID: 33658521
  56. Overduin, M., Trieber, C., Prosser, R.S., Picard, L.P., & Sheff, J.G. (2021). Structures and dynamics of native-state transmembrane protein targets and bound lipids. Membranes, 11(6), 451. 10.3390/membranes11060451 PubMed ID: 34204456
  57. López-Hernández, Y., Monárrez-Espino, J., Oostdam, A.S.H.V., Delgado, J.E.C., Zhang, L., Zheng, J., Valdez, J.J.O., Mandal, R., González, F.L.O., Moreno, J.C.B., Trejo-Medinilla, F.M., López, J.A., Moreno, J.A.E., & Wishart, D.S. (2021). Targeted metabolomics identifies high performing diagnostic and prognostic biomarkers for COVID-19. Scientific Reports, 11(1), 14732. DOI: 10.1038/s41598-021-94171-y PubMed ID: 34282210
  58. Shanmuganathan, M., Kroezen, Z., Gill, B., Azab, S., de Souza, R.J., Teo, K.K., Atkinson, S., Subbarao, P., Desai, D., Anand, S.S., & Britz-McKibbin, P. (2021). The maternal serum metabolome by multisegment injection-capillary electrophoresis-mass spectrometry: a high-throughput platform and standardized data workflow for large-scale epidemiological studies. Nature Protocols, 16(4), 1966-1994. DOI: 10.1038/s41596-020-00475-0 PubMed ID: 33674789
  59. Overduin, M. & Kervin, T.A. (2021). The phosphoinositide code is read by a plethora of protein domains. Expert Review of Proteomics, 18(7), 483-502. 10.1080/14789450.2021.1962302 PubMed ID: 34351250
  60. Buzatto, A.Z., Malkawi, A., Sabi, E.M., Mujamammi, A.H., Li, L., & Abdel Rahman, A.M. (2021). Tissue lipidomic alterations induced by prolonged dexamethasone treatment. Journal of Proteome Research, 20(3), 1558-1570. DOI: 10.1021/acs.jproteome.0c00759 PubMed ID: 33557525
  61. Huang, W., Wang, X., Chen, D., Xu, E.G., Luo, X., Zeng, J., Huan, T., Li, L., & Wang, Y. (2021). Toxicity mechanisms of polystyrene microplastics in marine mussels revealed by high-coverage quantitative metabolomics using chemical isotope labeling liquid chromatography mass spectrometry. Journal of Hazardous Materials, 417. 10.1016/j.jhazmat.2021.126003 PubMed ID: 33992921
  62. Adutwum, L.A., Kwao, J.K., & Harynuk, J.J. (2021). Unique ion filter—A data reduction tool for chemometric analysis of raw comprehensive two-dimensional gas chromatography-mass spectrometry data. Journal of Separation Science, 44(14), 2773-2784. 10.1002/jssc.202001127 PubMed ID: 33932270
  63. Voigt, A.L., Kondro, D.A., Powell, D., Valli-Pulaski, H., Ungrin, M., Stukenborg, J.B., Klein, C., Lewis, I.A., Orwig, K.E., & Dobrinski, I. (2021). Unique metabolic phenotype and its transition during maturation of juvenile male germ cells. FASEB Journal, 35(5), e21513. 10.1096/fj.202002799R PubMed ID: 33811704
  64. Baggio, G., Groves, R.A., Chignola, R., Piacenza, E., Presentato, A., Lewis, I.A., Lampis, S., Vallini, G., & Turner, R.J. (2021). Untargeted Metabolomics Investigation on Selenite Reduction to Elemental Selenium by Bacillus mycoides SeITE01. Frontiers in Microbiology, 12. 10.3389/fmicb.2021.711000 PubMed ID: 34603239
  65. Yamamoto, M., Shanmuganathan, M., Hart, L., Pai, N., & Britz-Mckibbin, P. (2021). Urinary metabolites enable differential diagnosis and therapeutic monitoring of pediatric inflammatory bowel disease. Metabolites, 11(4), 245. DOI: 10.3390/metabo11040245 PubMed ID: 33921143
  66. Gaspar, V.P., Ibrahim, S., Zahedi, R.P., & Borchers, C.H. (2021). Utility, promise, and limitations of liquid chromatography-mass spectrometry-based therapeutic drug monitoring in precision medicine. Journal of Mass Spectrometry, 56(11), e4788. 10.1002/jms.4788 PubMed ID: 34738286


  1. L. Zhang, J. Zheng, R. Ahmed, G. Huang, J. Reid, R. Mandal, A. Maksymuik, D. S. Sitar, P. S. Tappia, B. Ramjiawan, P. Joubert, A. Russo, C. D. Rolfo, and David S. Wishart (2020). A High-Performing Plasma Metabolite Panel for Early-Stage Lung Cancer Detection Cancers. Cancers, DOI: 10.3390/cancers12030622 PubMed ID: 32156060
  2. A. Badhwar, G. P. McFall, S. Sapkota, S. E. Black, H. Chertkow, S. Duchesne, M. Masellis, Liang Li, R. A. Dixon, and P. Bellec (2020). A Multiomics Approach to Heterogeneity in Alzheimer's Disease: Focused Review and Roadmap. Brain, DOI: 10.1093/brain/awz384 PubMed ID: 31891371
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  71. L. Rohani, B. S. Borys, G. Razian, P. Naghsh, S. Liu, A. A. Johnson, P. Machiraju, H. Holland, Ian A. Lewis, R. A. Groves, D. Toms, P. M. K. Gordon, J. W. Li, T. So, T. Dang, M. S. Kallos, and D. E. Rancourt. (2020). Stirred Suspension Bioreactors Maintain Naive Pluripotency of Human Pluripotent Stem Cells. Nature Communications Biology, DOI: 10.1038/s42003-020-01218-3 PubMed ID: 32895477
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  75. S. F. Graham, O. Turkoglu, A. Yilmaz, I. Ustun, Z. Ugur, T. Bjorndahl, B. Han, R. Mandal, David S. Wishart, and R. O. Bahado-Singh (2020). Targeted Metabolomics Highlights Perturbed Metabolism in the Brain of Autism Spectrum disorder Sufferers. Metabolites, DOI: 10.1007/s11306-020-01685-z PubMed ID: 32333121
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  79. X. Dong, J. E. Rattray, D. C. Campbell, J. Webb, A. Chakraborty, O. Adebayo, S. Matthews, C. Li, M. Fowler, A. Macdonald, R. A. Groves, Ian A. Lewis, S. H. Wang, D. Mayumi, C. Greening, and C. R. J. Hubert (2020). Thermogenic Hydrocarbons Sustain Diverse Subseafloor Microbial Communities in Deep Sea Cold Seep Sediments. Nature Communications, DOI: 10.1101/2020.02.02.928283
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  1. Benjamin Goudey, Bowen J Fung, Christine Schieber, Noel G Faux, Alzheimer’s Disease Metabolomics Consortium (David Wishart), Alzheimer’s Disease Neuroimaging Initiative (2019). A blood-based signature of cerebrospinal fluid Aβ1-42 status. Scientific Reports, 10.1038/s41598-018-37149-7 PubMed ID: 30853713
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  5. Jonas Patron, Arnau Serra Cayuela, Beomsoo Han, Carin Li, David Scott Wishart (2019). Assessing the performance of genome-wide association studies for predicting disease risk. BioRxiv,
  6. Lipfert, M., Rout, M. K., Berjanskii, M., Wishart, D. S. (2019). Automated Tools for the Analysis of 1D-NMR and 2D-NMR Spectra. Methods in molecular biology, 10.1007/978-1-4939-9690-2_24 PubMed ID: 31463859
  7. Mohammad A Anwar, Darlene Liying Dai, Janet Wilson‐McManus, Derek Smith, Gordon A Francis, Christoph H Borchers, Bruce M McManus, John S Hill, Gabriela V Cohen Freue (2019). Back Cover: Multiplexed LC–ESI–MRM‐MS‐based Assay for Identification of Coronary Artery Disease Biomarkers in Human Plasma. PROTEOMICS–Clinical Applications, 10.1002/prca.201970044
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  9. Yannick Djoumbou-Feunang, Jarlei Fiamoncini, Alberto Gil-de-la-Fuente, Russell Greiner, Claudine Manach, David S Wishart (2019). BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. Journal of cheminformatics, 10.1186/s13321-018-0324-5 PubMed ID: 30612223
  10. Alberto Gil-de-la-Fuente, Joanna Godzien, Sergio Saugar, Rodrigo Garcia-Carmona, Hasan Badran, David S Wishart, Coral Barbas, Abraham Otero (2019). CEU Mass Mediator 3.0: A Metabolite Annotation Tool. Journal of Proteome Research, 10.1021/acs.jproteome.8b00720 PubMed ID: 30574788
  11. Yannick Djoumbou-Feunang, Allison Pon, Naama Karu, Jiamin Zheng, Carin Li, David Arndt, Maheswor Gautam, Felicity Allen, David S Wishart (2019). CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification. Metabolites, 10.3390/metabo9040072 PubMed ID: 31013937
  12. David Shultis, Pralay Mitra, Xiaoqiang Huang, Jarrett Johnson, Naureen Aslam Khattak, Felicia Gray, Clint Piper, Jeff Czajka, Logan Hansen, Bingbing Wan, Krishnapriya Chinnaswamy, Liu Liu, Mi Wang, Jingxi Pan, Jeanne Stuckey, Tomasz Cierpicki, Christoph H Borchers, Shaomeng Wang, Ming Lei, Yang Zhang (2019). Changing the Apoptosis Pathway through Evolutionary Protein Design. Journal of molecular biology, 10.1016/j.jmb.2018.12.016 PubMed ID: 30625288
  13. Filipa Teixeira, Eric Tse, Helena Castro, Karl AT Makepeace, Ben A Meinen, Christoph H Borchers, Leslie B Poole, James C Bardwell, Ana M Tomás, Daniel R Southworth, Ursula Jakob (2019). Chaperone activation and client binding of a 2-cysteine peroxiredoxin. Nature communications, 10.1038/s41467-019-08565-8 PubMed ID: 30737390
  14. Michelle Saoi, Michael Percival, Carine Nemr, Alice Li, Martin Gibala, Philip Britz-McKibbin (2019). Characterization of the Human Skeletal Muscle Metabolome for Elucidating the Mechanisms of Bicarbonate Ingestion on Strenuous Interval Exercise. Analytical Chemistry, 10.1021/acs.analchem.9b00149 PubMed ID: 30835436
  15. Foroutan A., Guo A.C., Vazquez- Fresno R., Lipfert M., Zhang L., Zheng J., Badran H., Budinski Z., Mandal R., Ametaj B.N., Wishart D.S. (2019). Chemical Composition of Commercial Cow's Milk. Journal of agricultural and food chemistry, 10.1021/acs.jafc.9b00204 PubMed ID: 30994344
  16. Dorothea Mung, Liang Li (2019). Chemical isotope labeling liquid chromatography mass spectrometry for investigating acute dietary effects of cow milk consumption on human urine metabolome. Journal of Food and Drug Analysis, 10.1016/j.jfda.2018.10.007 PubMed ID: 30987728
  17. Yoshimasa Oyama, Colleen M Bartman, Stephanie Bonney, J Scott Lee, Lori A Walker, Jun Han, Christoph H Borchers, Peter M Buttrick, Carol M Aherne, Nathan Clendenen, Sean P Colgan, Tobias Eckle (2019). Circadian light-mediated endothelial metabolic reprogramming. bioRxiv, 10.1016/j.celrep.2019.07.020
  18. Drall, K. M., Tun, H. M., Morales-Lizcano, N. P., Konya, T. B., Guttman, D. S., Field, C. J., Mandal, R., Wishart, D. S., Becker, A. B., Azad, M. B., Lefebvre, D. L., Mandhane, P. J., Moraes, T. J., Sears, M. R., Turvey, S. E., Subbarao, P., Scott, J. A., Kozyrskyj, A. L (2019). Clostridioides difficile Colonization Is Differentially Associated With Gut Microbiome Profiles by Infant Feeding Modality at 3-4 Months of Age 10. Frontiers in immunology, 3389/fimmu.2019.02866 PubMed ID: 31921134
  19. Ammar Hassanzadeh Keshteli, Karen L Madsen, Rupasri Mandal, Guy E Boeckxstaens, Premysl Bercik, Giada De Palma, David E Reed, David Wishart, Stephen Vanner, Levinus A Dieleman (2019). Comparison of the metabolomic profiles of irritable bowel syndrome patients with ulcerative colitis patients and healthy controls: new insights into pathophysiology and potential biomarkers. Alimentary pharmacology & therapeutics, 10.1111/apt.15141 PubMed ID: 30706502
  20. Nicholas I Brodie, Konstantin I Popov, Evgeniy V Petrotchenko, Nikolay V Dokholyan, Christoph H Borchers (2019). Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations. PLoS computational biology, 10.1371/journal.pcbi.1006859 PubMed ID: 30917118
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  22. V Boczonadi, MS King, AC Smith, M Olahova, B Bansagi, A Roos, F Eyassu, C Borchers, V Ramesh, H Lochmüller, T Polvikoski, RG Whittaker, A Pyle, H Griffin, RW Taylor, PF Chinnery, AJ Robinson, ERS Kunji, R Horvath (2019). Correction: Mitochondrial oxodicarboxylate carrier deficiency is associated with mitochondrial DNA depletion and spinal muscular atrophy–like disease. Genetics in medicine: official journal of the American College of Medical Genetics, 10.1038/s41436-019-0506-1 PubMed ID: 31028354
  23. Evgeniy V Petrotchenko, Jason J Serpa, Christoph H Borchers (2019). Cross‐linking Applications in Structural Proteomics. Proteomics for Biological Discovery, 10.1002/9781119081661.ch7
  24. Vijaya Kumar Hinge, Nikolay Blinov, Dipankar Roy, W Ted Allison, David S Wishart, Andriy Kovalenko (2019). Design and optimization of nucleic acid derivatives for inhibition of prion-like propagation at W32 site of SOD1 enzyme in Amyotrophic Lateral Sclerosis. PRION,
  25. Xiaohang Wang, Wei Han, Jing Yang, David Westaway, Liang Li (2019). Development of chemical isotope labeling LC-MS for tissue metabolomics and its application for brain and liver metabolome profiling in Alzheimer's disease mouse model. Analytica Chimica Acta, 10.1016/j.aca.2018.10.060 PubMed ID: 30661596
  26. Gabriele Rocchetti, Sudarshana Reddy Bhumireddy, Gianluca Giuberti, Rupasri Mandal, Luigi Lucini, David S Wishart (2019). Edible nuts deliver polyphenols and their transformation products to the large intestine: An in vitro fermentation model combining targeted/untargeted metabolomics. Food research international, 10.1016/j.foodres.2018.09.012 PubMed ID: 30717008
  27. Ammar Hassanzadeh Keshteli, Karen L Madsen, Rupasri Mandal, Guy E Boeckxstaens, Premysl Bercik, Giada De Palma, David E Reed, David Wishart, Stephen Vanner, Levinus A Dieleman (2019). Editorial: metabolomic biomarkers for colorectal adenocarcinoma and in the differentiation between irritable bowel syndrome and ulcerative colitis in clinical remission - confounded by the gut microbiome? Authors' reply. Alimentary pharmacology & therapeutics, 10.1111/apt.15200 PubMed ID: 30920043
  28. Wellington, N., Macklai, S., Britz-McKibbin, P (2019). Elucidating the Anomalous Binding Enhancement of Isoquinoline Boronic Acid for Sialic Acid Under Acidic Conditions: Expanding Biorecognition Beyond Vicinal Diols. Chemistry, 10.1002/chem.201904442 PubMed ID: 31596002
  29. Yoshimasa Oyama, Colleen M Bartman, Stephanie Bonnie, J Scott Lee, Lori A Walker, Jun Han, Christoph H Borchers, Peter M Buttrick, Nathan Clendenen, Sean P Colgan, Tobias Eckle (2019). Endothelial specific PER2 at the crossroads of light elicited circadian amplitude enhancement as novel cardioprotective strategy and transcriptional regulation of HIF1A-dependent metabolic adaptation to myocardial ischemia. bioRxiv, 10.1101/561340
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  31. Ray O Bahado-Singh, Argyro Syngelaki, Rupsari Mandal, BeomSoo Han, Liang Li, Trent C Bjorndahl, Nan Wang, Dev Maulik, Edison Dong, Onur Turkoglu, Chiao-Li Tseng, Amna Zeb, Mark Redman, David S Wishart, Kypros H Nicolaides (2019). First-trimester metabolomic prediction of stillbirth. The Journal of Maternal-Fetal & Neonatal Medicine, 10.1080/14767058.2018.1465552 PubMed ID: 29712497
  32. Patterson E, Ryan PM, Wiley N, Carafa I, Sherwin E, Moloney G, Franciosi E, Mandal R, Wishart DS, Tuohy K, Ross RP, Cryan JF, Dinan TG, Stanton C. (2019). Gamma-aminobutyric acid-producing lactobacilli positively affect metabolism and depressive-like behaviour in a mouse model of metabolic syndrome. Scientific reports Sci, 10.1038/s41598-019-51781-x PubMed ID: 31704943
  33. Rosa Vázquez-Fresno, Albert Remus R Rosana, Tanvir Sajed, Tuviere Onookome-Okome, Noah A Wishart, David S Wishart (2019). Herbs and Spices-Biomarkers of Intake Based on Human Intervention Studies–A Systematic Review. Genes & nutrition, 10.1186/s12263-019-0636-8 PubMed ID: 31143299
  34. Saoi, M., Sasaki, K., Sagawa, H., Abe, K., Kogiso, T., Tokushige, K., Hashimoto, E., Ohashi, Y., Britz-McKibbin, P (2019). High Throughput Screening of Serum γ-Glutamyl Dipeptides for Risk Assessment of Nonalcoholic Steatohepatitis with Impaired Glutathione Salvage Pathway. Journal of proteome research, 10.1021/acs.jproteome.9b00405 PubMed ID: 31483669
  35. Meera Shanmuganathan, Sabrina Macklai, Clara Barrenas Cardenas, Zachary Kroezen, Marcus Kim, William Zizek, Howard Lee, Philip Britz-McKibbin (2019). High-throughput and Comprehensive Drug Surveillance Using Multisegment Injection-Capillary Electrophoresis-Mass Spectrometry. JoVE (Journal of Visualized Experiments), 10.3791/58986 PubMed ID: 31081805
  36. Wajiha Gohir, Katherine M Kennedy, Jessica G Wallace, Michelle Saoi, Christian J Bellissimo, Philip Britz‐McKibbin, Jim J Petrik, Michael G Surette, Deborah M Sloboda (2019). High‐fat diet intake modulates maternal intestinal adaptations to pregnancy and results in placental hypoxia, as well as altered fetal gut barrier proteins and immune markers. The Journal of Physiology, 10.1113/JP277353 PubMed ID: 31081119
  37. Renxue Wang, Jonathan A Sheps, Lin Liu, Jun Han, Patrick SK Chen, Jason Lamontagne, Peter D Wilson, Ian Welch, Christoph H Borchers, Victor Ling (2019). Hydrophilic bile acids prevent liver damage caused by lack of biliary phospholipid in Mdr2−/− mice. Journal of lipid research, 10.1194/jlr.M088070 PubMed ID: 30416103
  38. Simon Hayek, Nassima Bekaddour, Laurie Besson, Rodolphe Alves de Sousa, Nicolas Pietrancosta, Sébastien Viel, Nikaia Smith, Yves Jacob, Sébastien Nisole, Rupasri Mandal, David S Wishart, Thierry Walzer, Jean-Philippe Herbeuval, Pierre-Olivier Vidalain (2019). Identification of Primary Natural Killer Cell Modulators by Chemical Library Screening with a Luciferase-Based Functional Assay. SLAS DISCOVERY: Advancing Life Sciences R&D, 10.1177/2472555218797078 PubMed ID: 30184441
  39. Golam M Uddin, Liyan Zhang, Saumya Shah, Arata Fukushima, Cory S Wagg, Keshav Gopal, Rami Al Batran, Simran Pherwani, Kim L Ho, Jamie Boisvenue, Qutuba G Karwi, Tariq Altamimi, David S Wishart, Jason RB Dyck, John R Ussher, Gavin Y Oudit, Gary D Lopaschuk (2019). Impaired branched chain amino acid oxidation contributes to cardiac insulin resistance in heart failure. Cardiovascular diabetology, 31277657 PubMed ID: 10
  40. Fengfeng Mao, Teng Liu, Xinfeng Hou, Hanqing Zhao, Wenhui He, Cong Li, Zhiyi Jing, Jianhua Sui, Fengchao Wang, Xiaohui Liu, Jun Han, Christoph H Borchers, Jian-She Wang, Wenhui Li (2019). Increased sulfation of bile acids in mice and human subjects with sodium taurocholate cotransporting polypeptide deficiency. Journal of Biological Chemistry, 10.1074/jbc.RA118.007179 PubMed ID: 31201272
  41. Chia-Wei Hsu, Yi-Ting Chen, Ya-Ju Hsieh, Kai-Ping Chang, Pei-Chun Hsueh, Ting-Wen Chen, Jau-Song Yu, Yu-Sun Chang, Liang Li, Chih-Ching Wu (2019). Integrated analyses utilizing metabolomics and transcriptomics reveal perturbation of the polyamine pathway in oral cavity squamous cell carcinoma. Analytica Chimica Acta, 10.1016/j.aca.2018.10.070 PubMed ID: 30661578
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  54. Phurpa Wangchuk, Konstantinos Kouremenos, Ramon M Eichenberger, Mark Pearson, Atik Susianto, David S Wishart, Malcolm J McConville, Alex Loukas (2019). Metabolomic profiling of the excretory–secretory products of hookworm and whipworm. Metabolomics, 10.1007/s11306-019-1561-y PubMed ID: 31254203
  55. Paiboon Tunsagool, Xiaohang Wang, Wichitra Leelasuphakul, Warangkana Jutidamrongphan, Narumon Phaonakrop, Janthima Jaresitthikunchai, Sittiruk Roytrakul, Guanqun Chen, Liang Li (2019). Metabolomic study of stress responses leading to plant resistance in mandarin fruit mediated by preventive applications of Bacillus subtilis cyclic lipopeptides. Postharvest Biology and Technology, 10.1016/j.postharvbio.2019.110946
  56. Jacob, M.; Gu, X.; Luo, X.; Al-Mousa, H.; Arnaout, R.; Al-Saud, B.; L. Lopata, A.; Li, L.; Dasouki, M.; Rahman, A.M.A. (2019). Metabolomics Distinguishes DOCK8 Deficiency from Atopic Dermatitis: Towards a Biomarker Discovery. Metabolites, 10.3390/metabo9110274 PubMed ID: 31718082
  57. Wild, J., , Shanmuganathan, M., , Hayashi, M., , Potter, M., Britz-McKibbin, P (2019). Metabolomics for improved treatment monitoring of phenylketonuria: urinary biomarkers for non-invasive assessment of dietary adherence and nutritional deficiencies. The analyst, 10.1039/c9an01642b PubMed ID: 31608347
  58. David S Wishart (2019). Metabolomics for Investigating Physiological and Pathophysiological Processes. Physiological reviews, 10.1152/physrev.00035.2018 PubMed ID: 31434538
  59. Mai Yamamoto, Maria Ines Pinto-Sanchez, Premysl Bercik, Philip Britz-McKibbin (2019). Metabolomics reveals elevated urinary excretion of collagen degradation and epithelial cell turnover products in irritable bowel syndrome patients. Metabolomics, 10.1007/s11306-019-1543-0 PubMed ID: 31111238
  60. Paul M Ryan, Elaine Patterson, Ilaria Carafa, Rupasri Mandal, David S Wishart, Timothy G Dinan, John F Cryan, Kieran M Tuohy, Catherine Stanton, R Paul Ross (2019). Metformin and DPP-4 Inhibitor Differentially Modulate the Intestinal Microbiota and Plasma Metabolome of Metabolically Dysfunctional Mice. Canadian Journal of Diabetes, 10.1016/j.jcjd.2019.05.008
  61. Ammar H Keshteli, Richa Chibbar, Rupasri Mandal, David S Wishart, Levinus A Dieleman (2019). Mo1846 – Ulcerative Colitis (UC) Patients with Primary Sclerosing Cholangitis (PSC) Have Distinctive Serum Metabolomic Fingerprints Versus Uc Patients Without Psc. Gastroenterology, 10.1016/S0016-5085(19)39113-9
  62. Xiaowei Shi, Jingqi Liu, Deying Chen, Minglei Zhu, Jiong Yu, Haiyang Xie, Lin Zhou, Liang Li, Shusen Zheng (2019). MSC-triggered metabolomic alterations within liver-resident immune cells isolated from CCl4-induced mouse ALI model detected by CIL LC-MS. Experimental Cell Research, 10.1016/j.yexcr.2019.111511 PubMed ID: 31362001
  63. Mohammad A Anwar, Darlene Liying Dai, Janet Wilson‐McManus, Derek Smith, Gordon A Francis, Christoph H Borchers, Bruce M McManus, John S Hill, Gabriela V Cohen Freue (2019). Multiplexed LC–ESI–MRM‐MS‐based Assay for Identification of Coronary Artery Disease Biomarkers in Human Plasma. PROTEOMICS–Clinical Applications, 10.1002/prca.201700111 PubMed ID: 30632678
  64. Michael Overduin, Mansoore Esmaili (2019). Native Nanodiscs and the Convergence of Lipidomics, Metabolomics, Interactomics and Proteomics. Applied Sciences, 10.3390/app9061230
  65. Meera Shanmuganathan, Philip Britz-McKibbin (2019). New Advances for Newborn Screening of Inborn Errors of Metabolism by Capillary Electrophoresis-Mass Spectrometry (CE-MS). Clinical Applications of Capillary Electrophoresis, 10.1007/978-1-4939-9213-3_10 PubMed ID: 30847789
  66. Meera Shanmuganathan, Philip Britz-McKibbin (2019). New Advances in Amino Acid Profiling in Biological Samples by Capillary Electrophoresis-Mass Spectrometry. Amino Acid Analysis, 10.1007/978-1-4939-9639-1_25 PubMed ID: 31347129
  67. David S Wishart (2019). NMR metabolomics: A look ahead. Journal of Magnetic Resonance, 10.1016/j.jmr.2019.07.013 PubMed ID: 31377153
  68. Abdul-Hamid Emwas, Raja Roy, Ryan T McKay, Leonardo Tenori, Edoardo Saccenti, GA Gowda, Daniel Raftery, Fatimah Alahmari, Lukasz Jaremko, Mariusz Jaremko, David S Wishart (2019). Nmr spectroscopy for metabolomics research. Metabolites, 10.3390/metabo9070123
  69. Ben Archdekin, Atul Sharma, Ian W Gibson, David Rush, David S Wishart, Tom D Blydt‐Hansen (2019). Non‐invasive differentiation of non‐rejection kidney injury from acute rejection in pediatric renal transplant recipients. Pediatric transplantation, 10.1111/petr.13364 PubMed ID: 30719822
  70. Marynka M Ulaszewska, Christoph H Weinert, Alessia Trimigno, Reto Portmann, Cristina Andres Lacueva, René Badertscher, Lorraine Brennan, Carl Brunius, Achim Bub, Francesco Capozzi, Marta Cialiè Rosso, Chiara E Cordero, Hannelore Daniel, Stéphanie Durand, Bjoern Egert, Paola G Ferrario, Edith JM Feskens, Pietro Franceschi, Mar Garcia‐Aloy, Franck Giacomoni, Pieter Giesbertz, Raúl González‐Domínguez, Kati Hanhineva, Lieselot Y Hemeryck, Joachim Kopka, Sabine E Kulling, Rafael Llorach, Claudine Manach, Fulvio Mattivi, Carole Migné, Linda H Münger, Beate Ott, Gianfranco Picone, Grégory Pimentel, Estelle Pujos‐Guillot, Samantha Riccadonna, Manuela J Rist, Caroline Rombouts, Josep Rubert, Thomas Skurk, Pedapati SC Sri Harsha, Lieven Van Meulebroek, Lynn Vanhaecke, Rosa Vázquez‐Fresno, David Wishart, Guy Vergères (2019). Nutrimetabolomics: an integrative action for metabolomic analyses in human nutritional studies. Molecular nutrition & food research, 10.1002/mnfr.201800384 PubMed ID: 30176196
  71. Padma Maruvada, Johanna W Lampe, David S Wishart, Dinesh Barupal, Deirdra N Chester, Dylan Dodd, Yannick Djoumbou-Feunang, Pieter C Dorrestein, Lars O Dragsted, John Draper, Linda C Duffy, Johanna T Dwyer, Nancy J Emenaker, Oliver Fiehn, Robert E Gerszten, Frank B Hu, Robert W Karp, David M Klurfeld, Maren R Laughlin, A Roger Little, Christopher J Lynch, Steven C Moore, Holly L Nicastro, Diane M O'Brien, José M Ordovás, Stavroula K Osganian, Mary Playdon, Ross Prentice, Daniel Raftery, Nichole Reisdorph, Helen M Roche, Sharon A Ross, Shengmin Sang, Augustin Scalbert, Pothur R Srinivas, Steven H Zeisel (2019). Perspective: Dietaryiomarkers of Intake and Exposure—Exploration with Omics Approaches. Advances in Nutrition, 10.1093/advances/nmz075 PubMed ID: 31386148
  72. Anandram Venkatasubramanian, Vincent TK Sauer, Jocelyn N Westwood-Bachman, Kai Cui, Mike Xia, David S Wishart, Wayne K Hiebert (2019). Porous Nanophotonic Optomechanical Beams for Enhanced Mass Adsorption. ACS sensors, 10.1021/acssensors.8b01366 PubMed ID: 30942578
  73. Marcia A LeVatte, Matthias Lipfert, Carol Ladner-Keay, David S Wishart (2019). Preparation and characterization of a highly soluble Aβ1-42 peptide variant. Protein expression and purification, 10.1016/j.pep.2019.105480 PubMed ID: 31425755
  74. Irina M Larina, Andrew J Percy, Juncong Yang, Christoph H Borchers, Andrei M Nosovsky, Anatoli I Grigoriev, Evgeny N Nikolaev (2019). Protein expression changes caused by spaceflight as measured for 18 Russian cosmonauts (vol 7, 8142, 2017). SCIENTIFIC REPORTS,
  75. Aidin Foroutan, Seyed Ali Goldansaz, Matthias Lipfert, David S Wishart (2019). Protocols for NMR Analysis in Livestock Metabolomics. Metabolomics, 10.1007/978-1-4939-9488-5_23 PubMed ID: 31127564
  76. Irina M Larina, Andrew J Percy, Juncong Yang, Christoph H Borchers, Andrei M Nosovsky, Anatoli I Grigoriev, Evgeny N Nikolaev (2019). Publisher Correction: Protein expression changes caused by spaceflight as measured for 18 Russian cosmonauts. Scientific reports, 10.1038/s41598-019-43121-w PubMed ID: 31171809
  77. Glenn R Masson, John E Burke, Natalie G Ahn, Ganesh S Anand, Christoph Borchers, Sébastien Brier, George M Bou-Assaf, John R Engen, S Walter Englander, Johan Faber, Rachel Garlish, Patrick R Griffin, Michael L Gross, Miklos Guttman, Yoshitomo Hamuro, Albert JR Heck, Damian Houde, Roxana E Iacob, Thomas JD Jørgensen, Igor A Kaltashov, Judith P Klinman, Lars Konermann, Petr Man, Leland Mayne, Bruce D Pascal, Dana Reichmann, Mark Skehel, Joost Snijder, Timothy S Strutzenberg, Eric S Underbakke, Cornelia Wagner, Thomas E Wales, Benjamin T Walters, David D Weis, Derek J Wilson, Patrick L Wintrode, Zhongqi Zhang, Jie Zheng, David C Schriemer, Kasper D Rand (2019). Recommendations for performing, interpreting and reporting hydrogen deuterium exchange mass spectrometry (HDX-MS) experiments. Nature methods, 10.1038/s41592-019-0459-y PubMed ID: 31249422
  78. Sandi Azab, Ritchie Ly, Philip Britz-McKibbin (2019). Robust Method for High-Throughput Screening of Fatty Acids by Multisegment Injection-Nonaqueous Capillary Electrophoresis–Mass Spectrometry with Stringent Quality Control. Analytical Chemistry, 10.1021/acs.analchem.8b05054 PubMed ID: 30570251
  79. Nikolay Blinov, David S Wishart, Andriy Kovalenko (2019). Solvent Composition Effects on the Structural Properties of the Aβ42 Monomer from the 3D-RISM-KH Molecular Theory of Solvation. The Journal of Physical Chemistry B, 10.1021/acs.jpcb.9b00480 PubMed ID: 30811210
  80. Nikolay Blinov, David S Wishart, Neil R Cashman, Andriy Kovalenko (2019). Structural characterization of amyloidogenic proteins implicated in neurodegeneration under conditions of intracellular crowding and in nonpolar environments. PRION,
  81. Zabed Mahmud, Somaya Zahran, Philip B Liu, Bela Reiz, Brandon YH Chan, Andrej Roczkowsky, Christian-Scott E McCartney, Peter L Davies, Liang Li, Richard Schulz, Peter M Hwang (2019). Structure and proteolytic susceptibility of the inhibitory C-terminal tail of cardiac troponin I. Biochimica et Biophysica Acta (BBA) - General Subjects, 10.1016/j.bbagen.2019.01.008 PubMed ID: 30659884
  82. Michael Overduin, Mansoore Esmaili (2019). Structures and Interactions of Transmembrane Targets in Native Nanodiscs. SLAS DISCOVERY: Advancing Life Sciences R&D, 10.1177/2472555219857691 PubMed ID: 31242812
  83. Farhana R Pinu, David J Beale, Amy M Paten, Konstantinos Kouremenos, Sanjay Swarup, Horst J Schirra, David Wishart (2019). Systems Biology and Multi-Omics Integration: Viewpoints from the Metabolomics Research Community. Metabolites, 10.3390/metabo9040076 PubMed ID: 31003499
  84. Chen, Y.T., Huang, H.C., Hsieh, Y.J., Fu, S.H., Li, L., Chen, C.L.., Chu, L.J., Yu, J.S. (2019). Targeting amine-and phenol-containing metabolites in urine by dansylation isotope labeling and liquid chromatography mass spectrometry for evaluation of bladder cancer biomarkers. Journal of Food and Drug Analysis, 10.1016/j.jfda.2018.11.008 PubMed ID: 30987717
  85. Éder Soares Pires, Cristiane Cassiolato Pires Hardoim, Karla Rodrigues Miranda, Danielle Angst Secco, Leandro Araujo Lobo, Denise P Carvalho, Jun Han, Christoph Borchers, Rosana Barreto Rocha Ferreira, Joana Falcão Salles, Regina Maria Cavalcanti Pilotto Domingues, Luis Caetano Martha Antunes (2019). The gut microbiome and metabolome of two riparian communities in the Amazon. Frontiers in Microbiology, 10.3389/fmicb.2019.02003
  86. Daria N Kashirina, Andrew J Percy, Liudmila Kh Pastushkova, Christoph H Borchers, Kirill S Kireev, Vladimir A Ivanisenko, Alexey S Kononikhin, Eugene N Nikolaev, Irina M Larina (2019). The molecular mechanisms driving physiological changes after long duration space flights revealed by quantitative analysis of human blood proteins. BMC medical genomics, 10.1186/s12920-019-0490-y PubMed ID: 30871558
  87. Stevenson, K., Blumberg, L. M., Harynuk, J (2019). Thermodynamics-based retention maps to guide column choices for comprehensive multi-dimensional gas chromatography. Analytica Chimica Acta, 10.1016/j.aca.2019.08.011 PubMed ID: 31561788
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  89. Keisean AJM Stevenson, James J Harynuk (2019). Thermodynamics‐based modelling of gas chromatography separations across column geometries and systems, including the prediction of peak widths. Journal of Separation Science, 10.1002/jssc.201801294 PubMed ID: 30964226
  90. Brittney A Klein, Ian M Robertson, Béla Reiz, Thomas Kampourakis, Liang Li, Brian D Sykes (2019). Thioimidate Bond Formation between Cardiac Troponin C and Nitrile-containing Compounds. ACS Medicinal Chemistry Letters, 10.1021/acsmedchemlett.9b00168
  91. Gabriele Rocchetti, Luigi Lucini, Gianluca Giuberti, Sudarshana Reddy Bhumireddy, Rupasri Mandal, Marco Trevisan, David S Wishart (2019). Transformation of polyphenols found in pigmented gluten-free flours during in vitro large intestinal fermentation. Food Chemistry, 10.1016/j.foodchem.2019.125068 PubMed ID: 31260977
  92. Nicola Cherry, Yayne-abeba Aklilu, Jeremy Beach, Philip Britz-McKibbin, Rebecca Elbourne, Jean-Michel Galarneau, Biban Gill, David Kinniburgh, Xu Zhang (2019). Urinary 1-hydroxypyrene and skin contamination in firefighters deployed to the Fort McMurray fire. Annals of Work Exposures and Health, 10.1093/annweh/wxz006 PubMed ID: 30753267
  93. Biban Gill, Alicia Mell, Meera Shanmuganathan, Karl Jobst, Xu Zhang, David Kinniburgh, Nicola Cherry, Philip Britz-McKibbin (2019). Urinary hydroxypyrene determination for biomonitoring of firefighters deployed at the Fort McMurray wildfire: an inter-laboratory method comparison. Analytical and Bioanalytical Chemistry, 10.1007/s00216-018-01569-1 PubMed ID: 30683964
  94. Allison I Daniel, Matilda E Arvidsson Kvissberg, Edward Senga, Christian J Versloot, Philliness Prisca Harawa, Wieger Voskuijl, David Wishart, Rupasri Mandal, Robert Bandsma, Céline Bourdon (2019). Urinary Organic Acids Increase After Clinical Stabilization of Hospitalized Children With Severe Acute Malnutrition. Food and nutrition bulletin, 10.1177/0379572119853930 PubMed ID: 31303023


  1. Keshteli, A.H., Tso, R., Dieleman, L.A., Park, H., Kroeker, K.I., Jovel, J., Gillevet, P.M., Sikaroodi, M., Mandal, R., Fedorak, R.N., Madsen, K.L. (2018). A Distinctive Urinary Metabolomic Fingerprint Is Linked With Endoscopic Postoperative Disease Recurrence in Crohn's Disease Patients.. Inflamm Bowel Dis. 2018 Mar 19;24(4):861-870, 10.1093/ibd/izx070 PubMed ID: 29562272
  2. Naama Karu, Lu Deng, Mordechai Slae, An Chi Guo, Tanvir Sajed, Hien Huynh, Eytan Wine, David S Wishart (2018). A review on human fecal metabolomics: Methods, applications and the human fecal metabolome database. Analytica Chimica Acta, 10.1016/j.aca.2018.05.031 PubMed ID: 30032758
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  4. Yeganeh Khaniani, Matthias Lipfert, Dipanjan Bhattacharyya, Rolando Perez Pineiro, Jiamin Zheng, David Wishart (2018). A Simple and Convenient Synthesis of Unlabeled and 13C-Labeled 3-(3-Hydroxyphenyl)-3-Hydroxypropionic Acid and Its Quantification in Human Urine Samples. Metabolites, 10.3390/metabo8040080 PubMed ID: 30469313
  5. Hou, S., Stevenson, K.A.J.M., Harynuk, J.J. (2018). A simple, fast, and accurate thermodynamic-based approach for transfer and prediction of gas chromatography retention times between columns and instruments Part I: Estimation of reference column geometry and thermodynamic parameters.. J Sep Sci. 2018 Mar 26, 10.1002/jssc.201701343 PubMed ID: 29579350
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  15. Siyang Tian, Yannick Djoumbou-Feunang, Russell Greiner, David S Wishart (2018). CypReact: a software tool for in silico reactant prediction for human cytochrome P450 enzymes. Journal of chemical information and modeling, 10.1021/acs.jcim.8b00035 PubMed ID: 29738669
  16. Shuang Zhao, Liang Li (2018). Dansylhydrazine Isotope Labeling LC-MS for Comprehensive Carboxylic Acid Submetabolome Profiling. Analytical Chemistry, 10.1021/acs.analchem.8b03435 PubMed ID: 30339755
  17. Wishart, D.S. (2018). DrugBank 5.0: a major update to the DrugBank database for 2018.. Nucleic Acids Res. 2018 Jan 4; 46(D1):D1074-D1082, 10.1093/nar/gkx1037 PubMed ID: 29126136
  18. Christine M Mincham, Ian W Gibson, Atul Sharma, Chris Wiebe, Rupasri Mandal, David Rush, Peter Nickerson, Julie Ho, David S Wishart, Tom D Blydt‐Hansen (2018). Evolution of renal function and urinary biomarker indicators of inflammation on serial kidney biopsies in pediatric kidney transplant recipients with and without rejection. Pediatric Transplantation, 10.1111/petr.13202 PubMed ID: 29696778
  19. Ty T Kim, Nirmal Parajuli, Miranda M Sung, Suresh C Bairwa, Jody Levasseur, Carrie-Lynn M Soltys, David S Wishart, Karen Madsen, Jonathan D Schertzer, Jason RB Dyck (2018). Fecal transplant from resveratrol-fed donors improves glycaemia and cardiovascular features of the metabolic syndrome in mice. American Journal of Physiology-Endocrinology and Metabolism, 10.1152/ajpendo.00471.2017 PubMed ID: 29870676
  20. Kovalchuk, A., Nersisyan, L., Mandal, R., Wishart, D.S., Mancini, M., Sidransky, D., Kolb, B., Kovalchuk, O. (2018). Growth of Malignant Non-CNS Tumors Alters Brain Metabolome.. Front Genet. 2018 Feb 20; 9:41, 10.3389/fgene.2018.00041 PubMed ID: 29515623
  21. Giulia Praticò, Qian Gao, Augustin Scalbert, Guy Vergères, Marjukka Kolehmainen, Claudine Manach, Lorraine Brennan, Sri Harsha Pedapati, Lydia A Afman, David S Wishart, Rosa Vázquez-Fresno, Cristina Andres-Lacueva, Mar Garcia-Aloy, Hans Verhagen, Edith JM Feskens, Lars O Dragsted (2018). Guidelines for Biomarker of Food Intake Reviews (BFIRev): how to conduct an extensive literature search for biomarker of food intake discovery. Genes & Nutrition, 10.1186/s12263-018-0592-8 PubMed ID: 29484030
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  25. Yunong Li, Liang Li (2018). Improving accuracy of peak-pair intensity ratio measurement in differential chemical isotope labeling LC–MS for quantitative metabolomics. International Journal of Mass Spectrometry, 10.1016/j.ijms.2018.09.027
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  27. Jasmine Chong, Othman Soufan, Carin Li, Iurie Caraus, Shuzhao Li, Guillaume Bourque, David S Wishart, Jianguo Xia (2018). MetaboAnalyst 4.0: towards more transparent and integrative metabolomics analysis. Nucleic Acids Research, 10.1093/nar/gky310 PubMed ID: 29762782
  28. Yanni Sun, Deying Chen, Jingqi Liu, Yanping Xu, Xiaowei Shi, Xian Luo, Qiaoling Pan, Jiong Yu, Jinfeng Yang, Hongcui Cao, Liang Li, Lanjuan Li (2018). Metabolic profiling associated with autophagy of human placenta-derived mesenchymal stem cells by chemical isotope labeling LC-MS. Experimental Cell Research, 10.1016/j.yexcr.2018.09.009 PubMed ID: 30227120
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  30. Luehr, T.C., Koide, E.M., Wang, X., Han, J., Borchers, C.H., Helbing, C.C. (2018). Metabolomic insights into the effects of thyroid hormone on Rana [Lithobates] catesbeiana metamorphosis using whole-body Matrix Assisted Laser Desorption/Ionization-Mass Spectrometry Imaging (MALDI-MSI).. Gen Comp Endocrinol. 2018 Feb 19. pii: S0016-6480(17)30797-9, 10.1016/j.ygcen.2018.02.012 PubMed ID: 29470956
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