Publications
World class expertise in metabolomics research and data analysis.
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.


Publications List
2022
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- Wishart DS, Sayeeda Z, Budinski Z, Guo A, Lee BL, Berjanskii M, Rout M, Peters H, Dizon R, Mah R, Torres-Calzada C, Hiebert-Giesbrecht M, Varshavi D, Varshavi D, Oler E, Allen D, Cao X, Gautam V, Maras A, Poynton EF, Tavangar P, Yang V, van Santen JA, Ghosh R, Sarma S, Knutson E, Sullivan V, Jystad AM, Renslow R, Sumner LW, Linington RG, Cort JR. NP-MRD: the Natural Products Magnetic Resonance Database. Nucleic Acids Res. 2022 Jan 7;50(D1): D665-D677. doi: 10.1093/nar/gkab1052. PMID: 34791429; PMCID: PMC8728158.
- Khoramipour K, Sandbakk Ø, Keshteli AH, Gaeini AA, Wishart DS, Chamari K. Metabolomics in Exercise and Sports: A Systematic Review. Sports Med. 2022 Mar;52(3):547-583. doi: 10.1007/s40279-021-01582-y. Epub 2021 Oct 30. PMID: 34716906.
- Wishart DS, Guo A, Oler E, Wang F, Anjum A, Peters H, Dizon R, Sayeeda Z, Tian S, Lee BL, Berjanskii M, Mah R, Yamamoto M, Jovel J, Torres-Calzada C, Hiebert-Giesbrecht M, Lui VW, 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 HB, Greiner R, Gautam V. HMDB 5.0: the Human Metabolome Database for 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D622-D631. doi: 10.1093/nar/gkab1062. PMID: 34986597; PMCID: PMC8728138.
- Franiek A, Sharma A, Cockovski V, Wishart DS, Zappitelli M, Blydt-Hansen TD. Urinary metabolomics to develop predictors for pediatric acute kidney injury. Pediatr Nephrol. 2022 Jan 10. doi: 10.1007/s00467-021-05380-6. Epub ahead of print. PMID: 35006358.
- Wen B, Njunge JM, Bourdon C, Gonzales GB, Gichuki BM, Lee D, Wishart DS, Ngari M, Chimwezi E, Thitiri J, Mwalekwa L, Voskuijl W, Berkley JA, Bandsma RH. Systemic inflammation and metabolic disturbances underlie inpatient mortality among ill children with severe malnutrition. Sci Adv. 2022 Feb 18;8(7):eabj6779. doi: 10.1126/sciadv.abj6779. Epub 2022 Feb 16. PMID: 35171682; PMCID:PMC8849276.
- Haxhiaj, K.; Li, Z.; Johnson, M.; Dunn, S.M.; Wishart, D.S.; and Ametaj, B.N. Blood Metabolomic Phenotyping of Dry Cows Could Predict the High Milk Somatic Cells in Early Lactation—Preliminary Results. Dairy 2022, 3(1), 59-77; doi:10.3390/dairy3010005. Published: 19 January 2022
- Guanshi Zhang, Dawid Tobolski, Grzegorz Zwierzchowski, Rupasri Mandal, David S Wishart, and Burim N Ametaj. Identification of Serum-Predictive Biomarkers for Subclinical Mastitis in Dairy Cows and New Insights into the Pathobiology of the Disease. J Agric Food Chem. 2022 Feb 9;70(5):1724-1746. doi: 10.1021/acs.jafc.1c07281. Epub 2022 Jan 31. PMID: 35098717.
- Zaid H Maayah, Pamela J F Raposo, Heidi Silver, Rupasri Mandal, Lee Ellis, Abrar S Alam, Shingo Takahara, Mourad Ferdaoussi, Kyle E Mathewson, Dean T Eurich, Karim Fouad, David S Wishart, and Jason R B Dyck. Metabolomic Fingerprint of Behavioral Changes in Response to Full-Spectrum Cannabis Extracts. Front Pharmacol. 2022 Jan 25;13:831052. doi: 10.3389/fphar.2022.831052. eCollection 2022. PMID: 35145419 PMCID: PMC8822156.
- Seyed Ali Goldansaz, Susan Markus, Graham Plastow, and David S Wishart. Predictive Blood Biomarkers of Sheep Pregnancy and Litter Size. Sci Rep. 2022 Jun 20;12(1):10307. doi: 10.1038/s41598-022-14141-w. PMID: 35725997 PMCID: PMC9209467.R G Suarez Suarez, S I Dijk, Z Zhang, G Focht, V Navas-López, S Koletzko, A Griffiths, D S Wishart, R Greiner, D Turner, and E Wine. A176 Utility of Machine Learning for Serum Metabolomic Data Analysis in Pediatric Crohn Disease. Journal of the Canadian Association of Gastroenterology, Volume 5, Issue Supplement_1, Pages 56–57, doi: 10.1093/jcag/gwab049.175. Published: 21 February 2022.
- Nikolas Krstic, Kevin Multani, David S Wishart, Tom Blydt-Hansen, and Gabriela V Cohen Freue. The Impact of Methodological Choices When Developing Predictive Models Using Urinary Metabolite Data. Stat Med. 2022 Aug 15;41(18):3511-3526. doi: 10.1002/sim.9431. Epub 2022 May 14. PMID: 35567357.
- Fei Wang, Dana Allen, Siyang Tian, Eponine Oler, Vasuk Gautam, Russell Greiner, Thomas O Metz, and David S Wishart. CFM-ID 4.0 – A Web Server for Accurate MS-Based Metabolite Identification. Nucleic Acids Res. 2022 May 24;50(W1):W165-W174. doi: 10.1093/nar/gkac383. PMID: 35610037 PMCID: PMC9252813.
- David S Wishart, Siyang Tian, Dana Allen, Eponine Oler, Harrison Peters, Vicki W Lui, Vasuk Gautam, Yannick Djoumbou-Feunang, Russell Greiner, and Thomas O Metz. Biotransformer 3.0—A Web Server for Accurately Predicting Metabolic Transformation Products. Nucleic Acids Res. 2022 May 10;50(W1):W115-W123. doi: 10.1093/nar/gkac313. PMID: 35536252 PMCID: PMC9252798.
- Razzaq, A.; Wishart, D.S.; Wani, S.H.; Hameed, M.K.; Mubin, M.; and Saleem, F. Advances in Metabolomics-Driven Diagnostic Breeding and Crop Improvement. Metabolites. 2022 Jun 2;12(6):511. doi: 10.3390/metabo12060511. PMID: 35736444 PMCID: PMC9228725. Maija Dambrova, Marina Makrecka-Kuka, Janis Kuka, Reinis Vilskersts, Didi Nordberg, Misty M. Attwood, Stefan Smesny, Zumrut Duygu Sen, An Chi Guo, Eponine Oler, Siyang Tian, Jiamin Zheng, David S. Wishart, Edgars Liepinsh and Helgi B. Schiöth. Acylcarnitines: Nomenclature, Biomarkers, Therapeutic Potential, Drug Targets, and Clinical Trials. Pharmacological Reviews, 2022, 74 (3) 506-551; doi: 10.1124/pharmrev.121.000408. PMID: 35710135.
- Sarah L Bridgman, Nilusha Malmuthuge, Rupasri Mandal, Catherine J Field, Andrea M Haqq, Piushkumar J Mandhane, Theo J Moraes, Stuart E Turvey, Elinor Simons, Padmaja Subbarao, James A Scott, David S Wishart, and Anita L Kozyrskyj. Childhood Body Mass Index and Associations with Infant Gut Metabolites and Secretory Iga: Findings from A Prospective Cohort Study. Int J Obes (Lond). 2022 Jul 15. doi: 10.1038/s41366-022-01183-3. PMID: 35840772.
- David S. Wishart, Leo L. Cheng,Valérie Copié , Arthur S. Edison, Hamid R. Eghbalnia, Jeffrey C. Hoch, Goncalo J. Gouveia, Wimal Pathmasiri, Robert Powers, Tracey B. Schock, Lloyd W. Sumner, and Mario Uchimiya. NMR and Metabolomics—A Roadmap for the Future. Metabolites 2022, 12(8), 678; doi: 10.3390/metabo12080678.
- James M. Njunge, Kirkby Tickell, Abdoulaye Hama Diallo, Abu Sadat Mohammad Sayeem Bin Shahid, Md. Amran Gazi, Ali Saleem, Zaubina Kazi, Syed Ali, Caroline Tigoi, Ezekiel Mupere, Christina L. Lancioni, Emily Yoshioka, Mohammod Jobayer Chisti, Moses Mburu, Moses Ngari, Narshion Ngao, Bonface Gichuki, Elisha Omer, Wilson Gumbi, Benson Singa, Robert Bandsma, Tahmeed Ahmed, Wieger Voskuijl, Thomas N. Williams, Alex Macharia, Johnstone Makale, Anna Mitchel, Jessica Williams, Joe Gogain, Nebojsa Janjic, Rupasri Mandal, David S. Wishart, Hang Wu, Lei Xia, Michael Routledge, Yun Yun Gong, Camilo Espinosa, Nima Aghaeepour, Jie Liu, Eric Houpt, Trevor D. Lawley, Hilary Browne, Yan Shao, Doreen Rwigi, Kevin Kariuki, Timothy Kaburu, Holm H. Uhlig, Lisa Gartner, Kelsey Jones, Albert Koulman, Judd Walson, and James Berkley. The Childhood Acute Illness and Nutrition (CHAIN) Network Nested Case-Cohort Study Protocol: A Multi-Omics Approach To Understanding Mortality Among Children In Sub-Saharan Africa And South Asia. Gates Open Res 2022, 6:77, doi: 10.12688/Gatesopenres.13635.1.
- D.S. Wishart. Metabolomics and the Multi-Omics View of Cancer. Metabolites. 2022 Feb 7;12(2):154. doi: 10.3390/metabo12020154. PMID: 35208228 PMCID: PMC8880085.
- Lun Zhang, Jiamin Zheng, Kathleen P Ismond, Scott MacKay, Marcia LeVatte, Jeremy Constable, Olusegun Isaac Alatise, T Peter Kingham, and David S Wishart. Identification of Urinary Biomarkers of Colorectal Cancer: Towards The Development of A Colorectal Screening Test in Limited Resource Settings. Cancer Biomark. 2022 Jul 11. doi: 10.3233/CBM-220034 PMID: 35871322.
- Elke Anklam, Martin Iain Bahl, Robert Ball, Richard D Beger, Jonathan Cohen, Suzanne Fitzpatrick, Philippe Girard, Blanka Halamoda-Kenzaoui, Denise Hinton, Akihiko Hirose, Arnd Hoeveler, Masamitsu Honma, Marta Hugas, Seichi Ishida, George En Kass, Hajime Kojima, Ira Krefting, Serguei Liachenko, Yan Liu, Shane Masters, Uwe Marx, Timothy McCarthy, Tim Mercer, Anil Patri, Carmen Pelae, Munir Pirmohamed, Stefan Platz, Alexandre Js Ribeiro, Joseph V Rodricks, Ivan Rusyn, Reza M Salek, Reinhilde Schoonjans , Primal Silva, Clive N Svendsen, Susan Sumner, Kyung Sung, Danilo Tagle, Li Tong, Weida Tong, Janny van den Eijnden-van-Raaij, Neil Vary, Tao Wang, John Waterton, May Wang, Hairuo Wen, David Wishart, Yinyin Yuan, and William Slikker Jr. Emerging Technologies and Their Impact on Regulatory Science. Exp Biol Med (Maywood). 2022 Jan;247(1):1-75. doi: 10.1177/15353702211052280. PMID: 34783606 PMCID: PMC8749227
- Tran A, Kervin TA and Overduin M, Multifaceted membrane binding head of the SARS-CoV-2 spike protein. Curr Res Struct Biol. 2022 May 16;4:146-157. doi: 10.1016/j.crstbi.2022.05.001 PMID: 35602928 PMCID: PMC9251956.
- Overduin M, Kervin TA and Tran A. Progressive membrane binding mechanism of SARS-CoV-2 variant spike proteins. iScience. 2022 Aug 19;25(8):104722. doi: 10.1016/j.isci.2022.104722. Epub 2022 Jul 4. PMID: 35813872 PMCID: PMC9251956.
- Zhihua Li*, Ling Dong, Chi Zhao, Fengju Zhang, Shuang Zhao, Jingjing Zhan, Jia Li, and Liang Li*. Development of A High-Coverage Quantitative Metabolome Analysis Method Using 4-Channel Chemical Isotope Labeling LC-MS for Analyzing High-Salt Fermented Food, Journal of Agricultural and Food Chemistry, J Agric Food Chem. 2022 Jul 20;70(28):8827-8837. doi: 10.1021/acs.jafc.2c03481. Epub 2022 Jul 5. PMID: 35786923.
- Deying Chen, Wan Chan, Shuang Zhao, Lanjuan Li*, and Liang Li*. High-Coverage Quantitative Metabolomics of Human Urine: Effects of Freeze-Thaw Cycles on Urine Metabolome and Biomarker Discovery. Anal Chem. 2022 Jul 12;94(27):9880-9887. doi: 10.1021/acs.analchem.2c01816. Epub 2022 Jun 27. PMID: 35758637.
- Zhihua Li*, Chi Zhao, Ling Dong, Yu Huan, Miwa Yoshimoto, Yongqing Zhu, Ipputa Tada, Xiaohang Wang, Shuang Zhao, Fengju Zhang, Liang Li*, and Masanori Arita*. Comprehensive Metabolomic Comparison of Five Cereal Vinegars Using Non-Targeted and Chemical Isotope Labeling LC-MS Analysis, Metabolites. 2022 May 10;12(5):427. doi: 10.3390/metabo12050427. PMID: 35629931 PMCID: PMC9144210.
- Wei Han and Liang Li*. Evaluating and Minimizing Batch Effects in Metabolomics, Mass Spectrom Rev. 2022 May; 41(3):421-442. doi: 10.1002/mas.21672. Epub 2020 Nov 25. PMID: 33238061.
- Mary Ann Moran*, Elizabeth B. Kujawinski*, William F. Schroer, Shady A. Amin, Nicholas R. Bates, Erin M. Bertrand, Rogier Braakman, C. Titus Brown, Markus W. Covert, Scott C. Doney, Sonya Dyhrman, Arthur S. Edison, A. Murat Eren, Naomi M. Levine, Liang Li, Avena C. Ross, Mak A. Saito, Alyson E. Santoro, Daniel Segré1, Ashley Shade, Matthew B. Sullivan, and Assaf Vardi. Microbial Metabolites: Hidden Currencies of the Ocean Carbon Cycle, Nat Microbiol. 2022 Apr;7(4):508-523. doi: 10.1038/s41564-022-01090-3. Epub 2022 Apr 1. PMID: 35365785.
- Ya-Ju Hsieh, Kun-Yi Chien, Chun-Ming Chang, Cheng-Yu Hung, Liang Li, Wei-Fan Chiang, Cheng-Chia Lee, Chih-Hsiang Chang, Ying-Hsu Chang, Jau-Song Yu, Yi-Ting Chen. Development of A Method for Dansylation of Metabolites Using Organic Solvent-Compatible Buffer Systems for Amine/Phenol Submetabolome Analysis, Anal Chim Acta. 2022 Jan 2;1189:339218. doi: 10.1016/j.aca.2021.339218. Epub 2021 Oct 27. PMID: 34815039.
- Zachary JW Easton, Xian Luo, Liang Li, Timothy RH Regnault. The Impact of Hyperglycemia Upon BeWo Trophoblast Cell Metabolic Function: A Multi-OMICS and Functional Metabolic Analysis, https://www.biorxiv.org/content/10.1101/2022.02.15.480604v1.
- Kylynda C. Bauer, Elisa M. York,Mihai S. Cirstea, Nina Radisavljevic, Charisse Petersen, Kelsey E. Huus, Eric M. Brown, Tahereh Bozorgmehr, Rebeca Berdún, Louis-Philippe Bernier, Amy H. Y. Lee, Sarah E. Woodward, Zakhar Krekhno, Jun Han, Robert E. W. Hancock, Victoria Ayala, Brian A. MacVicar ,Barton Brett Finlay. Gut Microbes Shape Microglia and Cognitive Function During Malnutrition. Glia. 2022 May;70(5):820-841. doi: 10.1002/glia.24139. Epub 2022 Jan 12. PMID: 35019164.
- Teng Liu*, Jing Zhao, Jia-Yan Feng, Yi Lu, Jonathan A. Sheps, Ren-Xue Wang, Jun Han, Victor Ling, and Jian-She Wang. Neonatal Dubin-Johnson Syndrome and Its Differentiation From Biliary Atresia. Journal of Clinical and Translational Hepatology 2022, doi: 10.14218/JCTH.2021.00460.
- Alexandria M. Doerfler, Jun Han, Kelsey E. Jarrett, Li Tang, Antrix Jain, Alexander Saltzman, Marco De Giorgi, Marcel Chuecos, Ayrea E. Hurley, Ang Li, Pauline Morand, Claudia Ayala, David R. Goodlett, Anna Malovannaya, James F. Martin, Thomas Q. de Aguiar Vallim, Noah Shroyer, and William R. Lagor. Intestinal Deletion of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase Promotes Expansion of the Resident Stem Cell Compartment. Arterioscler Thromb Vasc Biol. 2022 Apr;42(4):381-394. doi: 10.1161/ATVBAHA.122.317320. Epub 2022 Feb 17. PMID: 35172604 PMCID: PMC8957608.
- Hyojik Yang, Richard D. Smith, Courtney E. Chandler, J. Kristie Johnson, Shelley N. Jackson, Amina S. Woods, Alison J. Scott, David R. Goodlett*, and Robert K. Ernst*. Lipid A Structural Determination from A Single Colony. Anal Chem. 2022 May 16. doi: Anal Chem. 2022 May 31;94(21):7460-7465. doi: 10.1021/acs.analchem.1c05394. Epub 2022 May 16. PMID: 35576511.
- Wang M, Han J, Liu T, Wang R, Li L, Li Z, Yang J, Liu L, Lu Y, Xie X, Gong J, Li S, Zhang L, Ling V, and Wang J. Poly-Hydroxylated Bile Acids and Their Prognostic Roles in Alagille Syndrome. 05 May 2022. doiI: 10.21203/rs.3.rs-1605055/v1 PPR: PPR489867.
- Karl Smith-Byrne, Agustin Cerani, Florence Guida, Sirui Zhou, Antonio Agudo, Krasimira Aleksandrova, Aurelio Barricarte, Miguel Rodríguez-Barranco, Christoph H. Borchers, Inger T. Gram, Jun Han, Christopher I. Amos, Rayjean J Hung, Kjell Grankvist, Therese Haugdahl Nøst, Liher Imaz, María Dolores Chirlaque-López, Mikael Johansson, Rudolf Kaaks, Tilman Kühn, Richard M Martin, James D. McKay, Valeria Pala, Hilary A Robbins, Torkjel M. Sandanger, David Schibli, Matthias B Schulze, Ruth C Travis, Paolo Vineis, Elisabete Weiderpass, Paul Brennan, Mattias Johannson, and J. Brent Richards. Circulating Isovalerylcarnitine and Lung Cancer Risk: Evidence from Mendelian Randomization and Pre-Diagnostic Blood Measurements. Cancer Epidemiol Biomarkers Prev . 2022 Jul 15;EPI-21-1033. doi: 10.1158/1055-9965.EPI-21-1033. PMID: 35839461.
- S. Armstrong, O. R. Arredondo Campos, C. C. Bannon, A. P. de la Mata, R. J. Case, and J. J. Harynuk. Global Metabolome Analysis of Dunaliella Tertiolecta, Phaeobacter Italicus R11 Co-Cultures Using Thermal Desorption – Comprehensive Two-Dimensional Gas Chromatography-Time-Of-Flight Mass Spectrometry. Phytochemistry. 2022 Mar;195:113052. doi: 10.1016/j.phytochem.2021.113052. Epub 2021 Dec 27. PMID: 34968885.
- Seo L. Nam, Kieran Tarazona Carrillo, A. Paulina de la Mata , Olle M. de Bruin,Evgueni Doukhanine, and James Harynuk. Evaluation of Fresh, Frozen, and Lyophilized Fecal Samples by SPME and Derivatization Methods Using GC×GC-TOFMS. Metabolomics. 2022 Apr 15;18(4):25. doi: 10.1007/s11306-022-01881-z. PMID: 35426515.
- Ryan P. Dias, Seo Lin Nam, Sheri A. Schmidt, A. Paulina de la Mata, and James Harynuk. DIY for DHS: Multivariate Optimization Procedure for Dynamic Headspace Extractions coupled to GC(×GC). LCGC Europe. 2022 May; 35 (05): 163-170.
- Michael D. S. Armstrong, A. Paulina de la Mata, and James J. Harynuk. Review of Variable Selection Methods for Discriminant-Type Problems in Chemometrics. Frontiers. Front. Anal. Sci., 19 May 2022, https://doi.org/10.3389/frans.2022.867938.
- Michael D.S. Armstrong, Jesper Løve Hinrich, A. Paulina de la Mata, James J. Harynuk. PARAFAC2×N: Coupled Decomposition of Multi-modal Data with Drift in N Modes. arXiv:2205.03501, https://doi.org/10.48550/arXiv.2205.03501.
- Laselva O, Petrotchenko EV, Hamilton CM, Qureshi Z, Borchers CH, Young RN, and Bear CE. A Protocol for Identifying the Binding Sites of Small Molecules on the Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Protein. STAR Protoc. 2022 Apr 7;3(2):101258. doi: 10.1016/j.xpro.2022.101258. eCollection 2022 Jun 17. PMID: 35434660.
- Thirunavukkarasu, K.K. Teo, P. Britz-McKibbin, B. Gill,* S. Islam, G. Pare, S. Rangarajan, M. Duong, F. Lanas, P. Lopez-Jaramillo, Prem K Mony, Lakshmi Pinnaka, Vellappillil Raman Kutty, Andres Orlandini, Alvaro Avezum, Andreas Wielgosz, Paul Poirier, Khalid F Alhabib, Ahmet Temizhan, Jephat Chifamba, Karen Yeates, Iolanthé M Kruger, Rasha Khatib, Rita Yusuf, Annika Rosengren, Katarzyna Zatonska, Romaina Iqbal, Weida Lui, Xinyue Lang, Sidong Li, Bo Hu, Antonio L Dans , Afzal Hussein Yusufali, Ahmad Bahonar, Martin J O’Donnell, Martin McKee, and Salim Yusuf. Variations in Risks from Smoking Between High-, Middle- and Low-Income Countries: A Prospective and Case-Control Analysis of Data from 179000 Participants from 63 Countries. Lancet Glob Health. 2022 Feb;10(2):e216-e226. doi: 10.1016/S2214-109X(21)00509-X. PMID: 35063112.
- Helmeczi,* E. Fries,* L. Perry, K. Choong, K. O’Hearn, D. McNally, and P. Britz-McKibbin. A high throughput screening platform for vitamin D status by direct infusion-tandem mass spectrometry. J Lipid Res. 2022 May;63(5):100204. doi: 10.1016/j.jlr.2022.100204. Epub 2022 Mar 23. PMID: 35337847 PMCID: PMC9062421.
- Sikorski,* S. M. Azab,* R. de Souza, M. Shanmuganathan,* P. Britz-McKibbin, and S.S. Anand. Serum Metabolic Signatures of Gestational Diabetes in South Asian and White European Women. Serum metabolic signatures of Gestational Diabetes in South Asian and white European women. BMJ Open Diabetes Res Care . 2022 Apr;10(2):e002733. doi: 10.1136/bmjdrc-2021-002733. PMID: 35450870 PMCID: PMC9024260.
- Ly,* N. Ly, K. Sasaki, M. Suzuki, K. Kami, Y. Ohashi, and P. Britz-McKibbin. Nontargeted Serum Lipid Profiling of Nonalcoholic Steatohepatitis by Multisegment Injection–Nonaqueous Capillary Electrophoresis–Mass Spectrometry: A Multiplexed Separation Platform for Resolving Ionic Lipids, J Proteome Res. 2022 Mar 4;21(3):768-777. doi: 10.1021/acs.jproteome.1c00682. Epub 2021 Oct 22. PMID: 34676758.
- Mathiaparanam,* A. Nori de Macedo,* B. Gill,* K. Keenan, T. Gonska, L. Pedder, S. Hill, and P. Britz-McKibbin. Rapid Chloride and Bicarbonate Determination by Capillary Electrophoresis for Confirmatory Testing of Cystic Fibrosis Infants with Volume-Limited Sweat Specimens. J Cyst Fibros. 2022 May 13;S1569-1993(22)00112-6. doi: 10.1016/j.jcf.2022.05.004. PMID: 35577746.
- Rafiq,* S.M. Azab, S. Anand, L. Thabane, M. Shanmuganathan, K. Morrison, , S.A. Atkinson, J. Stearns, K.K. Teo, P. Britz-McKibbin, and R. de Souza . Sources of Variation in Food Intake Biomarkers during Pregnancy. Nutrients. 2022 Jun 16;14(12):2503. doi: 10.3390/nu14122503. PMID: 35745237 PMCID: PMC9227758.
- Mathiaparanam, A. Nori de Macedo, A. Mente, P. Poirier, S.A. Lear,5A. Wielgosz, K. Teo, S. Yusuf, and P. Britz-McKibbin. The Prevalence and Risk Factors Associated with Iodine Deficiency in Canadian Adults. Nutrients. 2022 Jun 21;14(13):2570. doi: 10.3390/nu14132570. PMID: 35807751 PMCID: PMC9268597.
- Rosica Valcheva, Heather Armstrong, Ognjen Kovic, Michael Bording-Jorgensen, Simona Veniamin, María Elisa Pérez-Muñoz, Natasha Haskey, Melissa Silva, Farhad Peerani, Karen Wong, Dina H. Kao, Sander Veldhuyzen Van Zanten, Karen I. Kroeker, Deanna L. Gibson, Eytan Wine, Michael Gänzle, Jens Walter, and Levinus A. Dieleman. Double Blind Placebo-Controlled Trial for The Prevention of Ulcerative Colitis Relapses by Β-Fructan Prebiotics: Efficacy and Metabolomic Analysis. MedRXiv, 2022, doi: 10.1101/2022.01.16.22269376.
- Yanan Wang, Marcel van de Wouw, Lauren Drogos, Elnaz Vaghef-Mehrabani, Raylene A Reimer, Lianne Tomfohr-Madsen, and Gerald F Giesbrecht. Sleep and The Gut Microbiota in Preschool Aged Children, Sleep. 2022 Jun 13;45(6):zsac020. doi: 10.1093/sleep/zsac020. PMID: 35037059 PMCID: PMC9189981.
- Erik van Tilburg Bernardes, Veronika Kuchařová Pettersen, Mackenzie W Gutierrez, Isabelle Laforest-Lapointe, Nicholas G Jendzjowsky, Jean-Baptiste Cavin, Fernando A Vicentini, Catherine M Keenan, Hena R Ramay, Jumana Samara, Wallace K MacNaughton, Richard J A Wilson, Margaret M Kelly, Kathy D McCoy, Keith A Sharkey, and Marie-Claire Arrieta. Intestinal Fungi Are Causally Implicated in Microbiome Assembly and Immune Development in Mice. Nat Commun. 2020 May 22;11(1):2577. doi: 10.1038/s41467-020-16431-1. PMID: 32444671 PMCID: PMC7244730.
- Fernando A Vicentini, Jake C Szamosi, Laura Rossi, Lateece Griffin, Kristoff Nieves, Dominique Bihan, Ian A Lewis, Quentin J Pittman, Mark G Swain, Michael G Surette, Simon A Hirota, and Keith A Sharkey. Colitis-Associated Microbiota Drives Changes in Behavior in Male Mice in The Absence of Inflammation. Brain Behav Immun . 2022 May;102:266-278. doi: 10.1016/j.bbi.2022.03.001. Epub 2022 Mar 5. PMID: 35259427.
- Arthur Lau, Jennifer J Rahn, Mona Chappellaz, Hyunjae Chung, Hallgrimur Benediktsson, Dominique Bihan, Anne von Mässenhausen, Andreas Linkermann, Craig N Jenne, Stephen M Robbins, Donna L Senger, Ian A Lewis, Justin Chun, and Daniel A Muruve. Dipeptidase-1 Governs Renal Inflammation During Ischemia Reperfusion Injury. Sci Adv. 2022 Feb 4;8(5):eabm0142. doi: 10.1126/sciadv.abm0142. Epub 2022 Feb 2. PMID: 35108057 PMCID: PMC8809686.
- Maitreyi Raman, Christopher Ma, Lorian M Taylor, Levinus A Dieleman, Georgios V Gkoutos, Jeff K Vallance, Kathy D McCoy, Ian Lewis, Humberto Jijon, Derek M McKay, David M Mutch, Herman W Barkema, Deanna Gibson, Marcus Rauch, and Subrata Ghosh. Crohn’s Disease Therapeutic Dietary Intervention (CD-TDI): Study Protocol for A Randomized Controlled Trial. BMJ Open Gastroenterol. 2022 Jan;9(1):e000841. doi: 10.1136/bmjgast-2021-000841. PMID: 35046093 PMCID: PMC8772401.
- Christian Giommi, Claudia Ladisa, Oliana Carnevali, Francesca Maradonna, and Hamid R Habibi. Metabolomic and Transcript Analysis Revealed a Sex-Specific Effect of Glyphosate in Zebrafish Liver. Int J Mol Sci. 2022 Mar 1;23(5):2724. doi: 10.3390/ijms23052724. PMID: 35269866 PMCID: PMC8911326.
- Dominique G Bihan, Thomas Rydzak, Madeleine Wyss, Keir Pittman, Kathy D McCoy, and Ian A Lewis. Method for Absolute Quantification of Short Chain Fatty Acids via Reverse Phase Chromatography Mass Spectrometry. PLoS One. 2022 Apr 20;17(4):e0267093. doi: 10.1371/journal.pone.0267093. eCollection 2022. PMID: 35443015 PMCID: PMC9020710.
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2021
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- 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
2020
- 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
- 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
- S. Lang, A. Sharma, B. Foster, I. W. Gibson, J. Ho, P. Nickerson, D. Wishart, and T. Blydt Hansen (2020). Age and Sex Determine Conversion from Immediate?release to Extended?release Tacrolimus in a Multi?center Cohort of Canadian Pediatric Renal Transplant Recipients. Pediatric Transplant, DOI: 10.1111/petr.13959 PubMed ID: 33368914
- V. R. Richard, R. P. Zahedi, S. Eintracht, Christoph H. Borchers (2020). An LC-MRM Assay for the Quantification of Metanephrines from dried Blood Spots for the diagnosis of Pheochromocytomas and Paragangliomas. Analytica Chimica Acta, DOI: 10.1016/j.aca.2020.06.020 PubMed ID: 32825898
- P. M. Ryan, E. Patterson, R. M. Kent, H. Stack, P. M. O’Connor, K. Murphy, V. L. Peterson, R. Mandal, David S. Wishart, T. G. Dinan, J. F. Cryan, R. J. Seeley, C. Stanton, and R. P. Ross (2020). Author Correction: Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents. Scientific Reports, DOI: 10.1038/s41598-020-59133-w PubMed ID: 32024931
- A. D. Baxevanis, G. D. Bader, and David S. Wishart (2020). Bioinformatics. Wiley, ISBN1119335582 PubMed ID: 9
- G. Biban and Philip Britz-McKibbin (2020). Biomonitoring of Smoke Exposure in Firefighters: A Review Current Opinion. Science Direct, DOI: 10.1016/j.coesh.2020.04.002
- S. A. Goldansaz, S. Markus, M. Berjanskii, M. Rout, A. C. Guo, Z. Wang, G. Plastow, and David S. Wishart (2020). Candidate Serum Metabolite Biomarkers of Residual Feed Intake and Carcass Merit in Sheep. Journal of Animal Science, DOI: 10.1093/jas/skaa298 PubMed ID: 32926096
- N. Drouin, M. van Mever, W. Zhang, E. Tobolkina, S. Ferre, A. Servais, M. Gou, L. Nyssen, M. Fillet, G. S. M. Lageveen-Kammeijer, J. Nouta, A. J. Chetwynd, I. Lynch, J. A. Thron, J. Meixner, C. Lobner, M. Taverna, S. Liu, N. T. Tran, T. Franzois, A. Lechner, R. Nehme, G. A. H. D. Banni, R. Nasreddine, C. Colas, H. H. Linder, K. Faserl, C. Neusub, M. Nelke, S. Lammerrer, C. Perrin, C. Bich-Muracciole, C. Barbas, A. L. Gonzalvez, A. Guttman, M. Szigeti, Philip Britz-McKibbin, Z. Kroezen, M. Shanmuganathan, P. Nemes, E. P. Portero, T. Hankemeir, S. Codesido, V. Gonzalez-Ruiz, S. Rudaz, and R. Ramuatar (2020). Capillary Electrophoresis-Mass Spectrometry at Trial by Metabo-Ring: Effective Electrophoretic Mobility for Reproducible and Robust Compound Annotation. Analytical Chemistry, DOI: 10.1021/acs.analchem.0c03129 PubMed ID: 32961048
- T. Liu, R. Wang, J. Han, Y. Qiu, Christoph H. Borchers, V. Ling, and J. Wang (2020). Changes in Plasma Bile Acid Profiles After Partial Internal Biliary Diversion in PFIC2 Patients. Annals of Translational Medicine, DOI: 10.21037/atm.2020.01.103 PubMed ID: 32309332
- D. Beriashvili, N. R. Spencer, T. Dieckmann, Michael Overduin, and M. Palmer (2020). Characterization of Multimeric Daptomycin Bound to Lipid Nanodiscs Formed by Calcium-tolerant Styrene-maleic Acid Co-polymer. Biochimica et Biophysica Acta (BBA) – Reviews on Biomembranes, DOI: 10.1016/j.bbamem.2020.183234 PubMed ID: 32145282
- Q. Pan, D. Wang, D. Chen, Y. Sun, X. Feng, X. Shi, X., Y. Xu, X. Luo, J. Yu, Y. Li, H. Cao, and Liang Li (2020). Characterizing the Effects of Hypoxia on the Metabolic Profiles of Mesenchymal Stromal Cells Derived from Three Tissue Sources Using Chemical Isotope Labeling Liquid Chromatography-Mass Spectrometry. Cell and Tissue Research, DOI: 10.1007/s00441-019-03131-6 PubMed ID: 31823005
- S. Zhao and Liang Li (2020). Chemical Derivatization in LC-MS Based Metabolomics Study Trends. Trends in Analytical Chemistry, DOI: 10.1016/j.trac.2020.115988
- N. Esquerre, L. Basso, M. Defaye, F. A. Vicentini, N. Cluny, D. Bihan, S. A. Hirota, A. Schick, H. B. Jijon, Ian A. Lewis, M. B. Geuking, K. A. Sharkey, C. Altier, and Y. Nasser (2020). Colitis-Induced Microbial Perturbation Promotes Postinflammatory Visceral Hypersensitivity. Cellular and molecular Gastroenterology and Hepatology, DOI: 10.1016/j.jcmgh.2020.04.003 PubMed ID: 32289500
- B. M. Graves, T. J. Johnson, R. T. Nishida, R. P. Dias, B. Savareear, Jamles J. Harynuk, M. Kazemimanesh, J. S. Olfert, and A. M. Boies (2020). Comprehensive Characterization of Mainstream Marijuana and Tobacco Ssmoke. Scientific Reports, DOI: 10.1038/s41598-020-63120-6 PubMed ID: 32345986
- A. Z. Buzatto, I. Sarkar, S. van Drunen Littel-van den Hurk, and Liang Li (2020). Comprehensive Lipidomic and Metabolomic Analysis for Studying Metabolic Changes in Lung Tissue Induced by a Vaccine against Respiratory Syncytial Virus ACS. ACS Infectious Diseases, DOI: 10.1021/acsinfecdis.0c00210 PubMed ID: 32633123
- J. Zheng, L. Zhang, M. Johnson, R. Mandal, and David S Wishart (2020). Comprehensive Targeted Metabolomic Assay for Urine Analysis. Analytical Chemistry, DOI: 10.1021/acs.analchem.0c01682 PubMed ID: 32634308
- A. Z. Buzatto, B. K. Kwon, and Liang Li (2020). Development of a NanoLC-MS Workflow for High-Sensitivity Global Lipidomic Analysis. Analytica Chimica Acta, DOI: 10.1016/j.aca.2020.09.001 PubMed ID: 33190714
- L. A. Dahabiyeh, A. K. Malkawi, X. Wang, D. Colak, A. H. Mujamammi, E. M. Sabi, Liang Li, M. Dasouki, and A. M. A. Rahman (2020). Dexamethasone-Induced Perturbations in Tissue Metabolomics Revealed by Chemical Isotope Labeling LC-MS analysis. Metabolites, DOI: 10.3390/metabo10020042 PubMed ID: 31973046
- K.C. Bauer, K.E. Huus, E. M. Brown, T. Bozorgmehr, C. Petersen, M. S. Cirstea, S. E. Woodward, J. McCoy, J. Hun, R. Pamplona, V. Ayala, and B. B. Finlay (2020). Dietary Intervention Reverses Fatty Liver and Altered Gut Microbiota during Early-life Undernutrition. mSystems, DOI: 10.1128/mSystems.00499-20 PubMed ID: 32900869
- C. Fromont, A. Atzori, D. Kaur, L. Hashmi, G. Greco, A. Cabanillas H. V. Nguyen, D. H. Jones, M. Garzon, A. Varela, B. Stevenson, G. P. Iacobini, M. Lenoir, S. Rajesh, C. Box, J. Kumar, P. Grant, V. Novitskaya, J. Morgan, F.J. Sorrell, C. Redondo, A. Kramer, C. J. Harris, B. Leighton, S. P. Vickers, S. C. Cheetham, C. Kenyon, A. M. Grabowska, Michael Overduin, F. Berditchevski, C. J. Weston, S. Knapp, P. M. Fischer, and S. Butterworth (2020). Discovery of Highly Selective Inhibitors of Calmodulin-dependent Kinases that Restore Insulin Sensitivity in the Diet-induced Obese in vivo Mouse Model. Journal of Medicinal Chemistry, DOI: 10.1021/acs.jmedchem.9b01803 PubMed ID: 32433887
- A. Masood, M. Jacob, X. Gu, M. A. Jabar, H. Benabdelkamel, I. Nizami, Liang Li, M. Dasouki, and A. M. A. Rahman (2020). Distinctive Metabolic Profiles Between Cystic Fibrosis Mutational Subclasses and Lung function. Metabolomics, DOI: 10.1007/s11306-020-01760-5 PubMed ID: 33394183
- X. Gu, M. A. Dubayee, A. Alshahrani, A. Masood, H. Benbdelkamel, M. Zahra, Liang Li, A. M. A. Rahman and A. Aljada (2020). Distinctive Metabolomics Patterns Associated with Insulin Resistance and Type 2 Diabetes Mellitus. Frontiers in Molecular Biosciences, DOI: 10.3389/fmolb.2020.609806 PubMed ID: 33381523
- A. J. Hoffman, I. W. Gibson, J. Ho, P. Nickerson, D. Rush, A. Sharma, David S. Wishart, and T. D. Blydt-Hansen (2020). Early Surveillance Biopsy Utilization and Management of Pediatric Renal Allograft Acute T cell-mediated Rejection in Canadian Centers: Observations from the PROBE Multicenter Cohort Study. Pediatrics Transplantation, DOI: 10.1111/petr.13870 PubMed ID: 33026135
- J. B. Magan, T. F. O’Callaghan, J. Zheng, L. Zhang, R. Mandal, D. Hennessy, M. A. Fenelon., David S. Wishart, A. L. Kelly, and N. A. McCarthy (2020). Effect of Diet on the Vitamin B Profile of Bovine Milk-Based Protein Ingredients Food. Foods, DOI: 10.3390/foods9050578 PubMed ID: 32375412
- L. Hart, Y. Farbod, J. C. Szamosi, M. Yamamoto, Philip Britz-McKibbin, C. Halgren, M. Zachos, and N. Pai (2020). Effect of Exclusive Enteral Nutrition and Corticosteroid Induction Therapy on the Gut Microbiota of Pediatric Patients with Inflammatory Bowel Disease. Nutrients, DOI: 10.3390/nu12061691 PubMed ID: 32517036
- D. chen, W. Han, T. Huan, Liang Li, and L. Li (2020). Effects of Freeze-Thaw Cycles of Blood Samples on High-Coverage Quantitative Metabolomics.. Analytical Chemistry, DOI: 10.1021/acs.analchem.0c01610 PubMed ID: 32469506
- S. M. Azab, R. J. de Souza, K. K. Teo, S. S. Anand, N. C. Williams, J. Holzschuher, C. McGlory, S. M. Philips, and Philip Britz-McKibbin (2020). erum Nonesterified Fatty Acids have Utility as Dietary Biomarkers of Fat Intake from Fish, Fish Oil, and dairy in Women. Journal of Lipid research, DOI: 10.1194/jlr.D120000630 PubMed ID: 32234835
- W. Han and Liang Li (2020). Evaluating and Minimizing Batch Effects in Metabolomics. Mass Spectrometry Review, DOI: 10.1002/mas.21672 PubMed ID: 33238061
- P. Wangchuk, O. Lavers, David S. Wishart, and A. Loukas (2020). Excretory/Secretory Metabolome of the Zoonotic Roundworm Parasite Toxocara canis.. Biomolecules, DOI: 10.3390/biom10081157 PubMed ID: 32781793
- V. Neveu, G. Nicolas, R. M. Salek, David S. Wishart, and A. Scalbert (2020). Exposome-Explorer 2.0: An Update Incorporating Candidate Dietary Biomarkers and Dietary Associations with Cancer Risk. Nucleic Acids Research, DOI: 10.1093/nar/gkz1009 PubMed ID: 31724701
- P. Castellano-Escuder, R. Gonzalez-Dominguez, David S. Wishart, C. Andres-Lacueva, and A. Sanchez-Pla (2020). FOBI: An Ontology to Represent Food Intake Data and Associate it with Metabolomic Data. Database | Oxford Academic, DOI: 10.1093/databa/baaa033 PubMed ID: 32556148
- K. Vu, W. Lou, H. M. Tun, T. B. Konya, N. Morales-Lizcano, R. S. Chari, C. J. Field, D. S. Guttman, R. Mandal, David S. Wishart, M. B. Azad, A. B. Becker, P. J. Mandhane, T. J. Moraes, D. L. Lefebvre, M. R. Sears, S. E. Turvey, P. Subbarao, J. A. Scott, and A. L. Kozyrskyj (2020). From Birth to Overweight and Atopic Disease: Multiple and Common Pathways of the Infant Gut Microbiome. Gastroenterology, DOI: 10.1053/j.gastro.2020.08.053 PubMed ID: 32946900
- D. Zaidi, H. Q. Huynk, M. W. Carroll, R. Mandal, David S. Wishart, and E. Wine (2020). Gut Microenvironment and Bacterial Invasion in Pediatric Inflammatory Bowel Diseases. Journal of Pediatric Gastroenterology and Nutrition, DOI: 10.1097/MPG.0000000000002848 PubMed ID: 33093369
- D. Chen, S. Zhao, W. Han, E. Lo, X. Su, Liang Li, L. Li (2020). High Tolerance to Instrument Drifts by Differential Chemical Isotope Labeling LC-MS: A Case study of the Effect of LC Leak in Long-term Sample Runs on Quantitative Metabolome Analysis. Journal of Mass Spectrometry, DOI: 10.1002/jms.4589 PubMed ID: 32639693
- M. Esmaili, C. J. Brown, R. Shaykhotdinov, C. Acevedo-Morantes, Y. L. Wang, H. Wille, R. D. Gandour, S. R. Turner, and Michael Overduin (2020). Homogeneous Nanodiscs of Native Membranes Formed by Stilbene-maleic-acid Copolymers. Nanoscale, DOI: 10.1039/d0nr03435e PubMed ID: 32780785
- A. Foroutan, J. Devos, David S.Wishart, C. Li, M. Colazo, J. Kastelic, J. Thundathil and C. Fitzsimmons (2020). Impact of Prenatal Maternal Nutrition and Parental Residual Feed Intake (RFI) on mRNA Abundance of Metabolic Drivers of Growth and Development in Young Angus Bulls. Livestock Science, DOI: 10.1016/j.livsci.2020.104365
- C. D. S. Weeraddana, V. P. Manolii, S. E. Strelkov, A. P. de la Mata, James J. Harynuk, and M. L. Evenden (2020). Infection of Canola by the Root Pathogen Plasmodiophora brassicae Increases Resistance to Aboveground Herbivory by Bertha armyworm, Mamestra configurata Walker (Lepidoptera: Noctuidae). Plant Science, DOI: 10.1016/j.plantsci.2020.110625 PubMed ID: 33180705
- J. Lemay, M. Yamamoto, Z. Kroezen, M. Shanmuganathan, R. Ly, L. Hart, N. Pai, and Philip Britz McKibbin (2020). Lyophilized Fecal Short-chain Fatty Acid and Electrolyte Determination by Capillary Eelectrophoresis with Indirect UV Detection for Assessment of Pediatric Inflammatory Bowel Disease. Journal of Pharmaceutical and Biomedical Analysis, DOI: 10.1016/j.jpba.2020 PubMed ID: 33091761
- X. Wang and Liang Li (2020). Mass Spectrometry for Metabolome Analysis, invited review. Mass Spectrometry Letters, DOI: 10.5478/MSL.2020.11.2.17
- G. Zwierzchowski, G. Zhang, R. Mandal, David S. Wishart, and B. N. Ametaj (2020). Mass-spec-based Urinary Metabotyping Around Parturition Identifies Screening Biomarkers for Subclinical Mastitis in Dairy Cows. Research in Veterinary Science, DOI: 10.1016/j.rvsc.2020.01.001 PubMed ID: 31931262
- R. J. de Souza, M. Shanmuganathan, A. Lamri, S. A. Atkinson, A. Becker, D. Desai, M. Gupta, P. J. Mandhane, T. J. Moraes, K. M. Morrison, P. Subbarao, K. K. Teo, S. E. Turvey, N. C. Williams, Philip Britz-McKibbin, and S. S. Anand (2020). Maternal Diet and the Serum Metabolome in Pregnancy: Robust Dietary Biomarkers Generalizable to a Multi-ethnic Birth Cohort. Current Developments in Nutrition, DOI: 10.1093/cdn/nzaa144 PubMed ID: 33073162
- P. Baloni, C. C. Funk, J. Yan, J. T. Yurkovich, A. Kueider-Paisley, K. Nho, A. Heinken, W. Jia, S. Mahmoudiandehkordi, G. Louie, A. J. Saykin, M. Arnold, G. Kastenmuller, W. J. Griffiths, I. Thiele, R. Kaddurah-Daouk, N. D. Price; Alzheimer’s Disease Metabolomics Consortium Collaborators: R. Kaddurah-Daouk, A. Kueider-Paisley, G. Louie, P. M. Doraiswamy, C. Blach, A. Moseley, J. W. Thompson, S. Mahmoudiandehkhordi, K. Welsh-Balmer, B. Plassman, A. Saykin, K. Nho, G. Kastenmuller, M. Arnold, s. Bhattacharyya, X. Han, R. Baillie, O. Fiehn, D. Barupal, P. Meikle, S. Mazmanian, M. Kling, L. Shaw, J. Trojanowski, J. Toledo, C. van Duijin, T. Hankemier, I. Thiele, A. Heinken, N. Price, C. Funk, P. Baloni, W. Jia, David S. Wishart, R. Brinton, R. Chang, L. Farrer, R. Au, W. Qiu, P. W�rtz, L. Mangravite, J. Krumsiek, J. Newman, B. Zhang, and H. Moreno (2020). Metabolic Network Analysis Reveals Altered Bile Acid Synthesis and Metabolism in Alzheimer’s Disease. Cell Reports Medicine, DOI: 10.1016/j.xcrm.2020.100138 PubMed ID: 33294859
- David S. Wishart (2020). Metabolomic Data Exploration and Analysis with the Human Metabolome Database. Methods in Molecular Biology, DOI: 10.1007/978-1-0716-0239-3_10 PubMed ID: 31953818
- D. Blackmore, Liang Li, N. Wang, W. Maksymowych, E. Yacyshyn, and Z. A. Siddiqi (2020). Metabolomic Profile Overlap in Prototypical Autoimmune Humoral disease: A Comparison of Myasthenia gravis and Rheumatoid arthritis. Metabolomics, DOI: 10.1007/s11306-019-1625-z PubMed ID: 31902059
- D. D. Fraser, M. Slesarev, C. M. Martin, M. Daley, M. A. Patel, M. R. Miller, E. K. Patterson, D. B. O’Gorman, S. E. Gill, David S. Wishart, R. Mandal, and G. Cepinskas (2020). Metabolomics Profiling of Critically Ill Coronavirus Disease 2019 Patients: Identification of Diagnostic and Prognostic Biomarkers. Critical Care Explorations, DOI: 10.1097/CCE.0000000000000272 PubMed ID: 33134953
- L. F. Mager, Re. Burkhard, N. Cooke, K. Brown, R. A. Groves, Ian A. Lewis, M. B. Geuking, and K. D. McCoy (2020). Microbiome-derived Inosine Modulates Response to Checkpoint Inhibitor Immunotherapy. Science, DOI: 10.1126/science.abc3421 PubMed ID: 32792462
- G. Zwierzchowski, G. Zhang, R. Mandal, David S. Wishart, and B. N. Ametaj (2020). Milk Metabotyping Identifies Metabolite Alterations in the Whole Raw Milk of Dairy Cows with Lameness.. Journal of Agricultural Food Chemistry, DOI: 10.1021/acs.jafc.9b08312 PubMed ID: 32223231
- A. H. Keshtali, R. Chibbar, R. Mandal, David s. Wishart, K. Madsen, and L. A. Dieleman, L.A. (2020). Mo1438 Urine and Serum Metabolomics Profiles Discriminate Ulcerative Colitis Patients with and without Primary Sclerosing cholangitis. Gastroenterology, DOI: 10.1016/S0016-5085(20)32880-8
- M. Khorvash, N. Blinov, C. Ladner-Keay, J. Lu, J. M. Silverman, E. Gibbs, Y. Tian Wang, A. Kovalenko, David S. Wishart, and N. R. Cashman (2020). Molecular Interactions Between Monoclonal Oligomer-specific Antibody 5E3 and its Amyloid Beta Cognates. PLOS ONE, DOI: 10.1371/journal.pone.0232266 PubMed ID: 32469918
- M. Esmaili, B. P. Tancowny, X. Wang, A. Moses, L. M. Cortez, V. L. Sim, H. Wille, and Michael Overduin (2020). Native Nanodiscs Formed by Styrene maleic acid Copolymer Derivatives Help Recover Infectious Prion Multimers Bound to Brain-derived Lipids. Journal of Biological Chemistry, DOI: 10.1074/jbc.RA119.012348 PubMed ID: 32358064
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- B. S. Borys, T. So, J. Colter, T. Dang, E. L. Roberts, T. Revay, L. Larijani, R. Krawetz, Ian A. Lewis, B. Argiropoulos, D. E. Rancourt, S. Jung, Y. Hashimura, B. Lee, and m. S. Kallos (2020). Optimized Serial Expansion of Human Induced Pluripotent Stem Cells Using Low?density Inoculation to Generate Clinically Relevant Quantities in Vertical?wheel Bioreactors. STEM CELLS Translational Medicine, DOI: 10.1002/sctm.19-0406 PubMed ID: 32445290
- David S. Wishart, C. Li, A. Marcu, H. Badran, A. Pon, Z. Budinski, J. Patron, D. Lipton, X. Cao, E. Oler, K. Li, M. Paccoud, C. Hong, A. C. Guo, C. Chan, W. Wei, and M. Ramirez-Gaona (2020). PathBank: A Comprehensive Pathway Database for Model Organisms. Nucleic Acids Research, DOI: 10.1093/nar/gkz861 PubMed ID: 31602464
- L. S. Marmont, G. B. Whitfield, R. Pfoh, R. J. Williams, T. E. Randall, A. Ostaszewski, e. Razvi, R. A. Groves, H. Robinson, M. Nitz, M. R. Parsek, Ian A. Lewis, J. C. Whitney, J. J. Harrison, and P. L. Howel (2020). PelX is a UDP- N-acetylglucosamine C4-epimerase Involved in Pel Ppolysaccharide-dependent Biofilm Formation. Journal of Biological Chemistry, DOI: 10.1074/jbc.RA120.014555 PubMed ID: 32601062
- T. Schroder, W. Wang, K. Cochrane, T. Vayali, A. Cottle, G. Goh, A. Marcu, D. Parikh, E. Tsoi, David S. Wishart, M. Anwar, and R. Fraser (2020). Personalized Nutrition Recommendations Improve Plasma Metabolite Concentrations Related to Dietary Intake Current. Current Developments in Nutrition, DOI: 10.1093/cdn/nzaa058_032
- P. Maruvada, J. W. Lampe, David S. Wishart David, D. Barupal, D. N. Chester, D. Dodd, Y. Djoumbou-Feunang, P. C. Dorrestin, L. O. Dragsted, J. Draper, L. C. Duffy, J. T. Dwyer, N. J. Emenaker, O. Fiehn, R. E. Gerszten, F. B. Hu, R. W. Karp, D. M. Klurfeld, M. R. Laughlin, A. R. Little, C. J. Lynch, S. C. Moore, H. L Nicastro, D. M. O’Brien, J. M. Ordovas, S. K. Osganian, M. Playdon, R. Prentice, D. Raftery, N. Reisdorph, H. M. Roche, S. A. Ross, S. Sang, A. Scalbert, P. R. Srinivas, and S. H. Zeisel (2020). Perspective: Dietary Biomarkers of Intake and Exposure�Exploration with Omics Approaches. Advances in Nutrition, DOI: 10.1093/advances/nmz075 PubMed ID: 32173746
- M. Saoi, K. M. Kennedy, W. Gohir, D. M. Sloboda, and Philip Britz-McKibbin (2020). Placental Metabolomics for Assessment of Sex-specific Differences in Fetal Development During Normal Gestation. Scientific Reports, DOI: 10.1038/s41598-020-66222-3 PubMed ID: 32523064
- David S. Wishart, J. Godzien, A. Gil-de-la-Fuente, R. Mandal, R. Rajabzadeh, H. Pirimoghadam, C. Ladner-Keay, A. Otero and C. Barbas (2020). Processing Metabolomics and Proteomics Data with Open Software: A Practical Guide – Chapter 3: Metabolomics. Metabolomics Royal Society of Chemistry, DOI: 10.1039/9781788019880-00041
- S. Azab, R. Hum, and Philip Britz-McKibbin (2020). Rapid Biomonitoring of Perfluoroalkyl Substance Exposures in Serum by Multisegment Injection?nonaqueous Capillary Electrophoresis?tandem Mass Spectrometry. Analytical Science Advances, DOI: 10.1002/ansa.202000053
- B. Gill, K. Jobst, and Philip Britz-McKibbin (2020). Rapid Screening of Urinary 1-Hydroxypyrene Glucuronide by Multisegment Injection-Capillary Electrophoresis-Tandem Mass Spectrometry: A High-Throughput Method for Biomonitoring of Recent Smoke Exposures.. Analytical Chemistry, DOI: 10.1021/acs.analchem.0c03212 PubMed ID: 32901481
- C. D. Kay, M. N. Clifford, P. Mena, G. J. McDougall, C. Andres-Lacueva, A. Cassidy, D. Del Rio, N. Kuhnert, C. Manach, G. Pereira-Caro, A. Rodriguez-Mateos, A. Scalbert, F. Tomas-Barberan, G. Williamson, David S. Wishart, and A. Crozier (2020). Recommendations for Standardizing Nomenclature for Dietary (poly) Phenol Catabolites. The American Journal of Clinical Nutrition, DOI: 10.1093/ajcn/nqaa204 PubMed ID: 32936878
- L. Shaw, D. Shaw, M. Hardisty, Philip Britz-McKibbin, and D. K. Verma (2020). Relationships Between Inhalable and Total Hexavalent Chromium Exposures in Steel Passivation, Welding and Electroplating Operations of Ontario. International Journal of Hygiene and Environmental Health, DOI: 10.1016/j.ijheh.2020.113601
- M. Abdul-Bari, R. H. McQueen, A. P. de la Mata, J. Batcheller, and James J. Harynuk (2020). Retention and Release of Odorants in Cotton and Polyester Fabrics Following Multiple Soil/Wash Procedures. Textile Research Journal, DOI: 10.1177/0040517520914411
- Y. Li and Liang Li (2020). Retention Time Shift Analysis and Correction in Chemical Isotope Labeling Liquid Chromatography/Mass Spectrometry for Metabolome Analysis. Rapid Communications in Mass Spectrometry, DOI: 10.1002/rcm.8643 PubMed ID: 31705568
- E. Dervishi, G. Zhang, G. Zwierzchowski, R. Mandal, David S. Wishart, and B. N. Ametaj (2020). Serum Metabolic Fingerprinting of Pre-lameness Dairy Cows by GC-MS Reveals Typical Profiles that can Identify Susceptible Cows. Journal of Proteomics, DOI: 10.1016/j.jprot.2019.103620 PubMed ID: 31846765
- S. M. Azab, A. Zamzam, M. H. Syed, R. Abdin, M. Qadura, and Philip Britz-McKibbin (2020). Serum Metabolic Signatures of Chronic Limb-Threatening Ischemia in Patients with Peripheral Artery Disease. Journal of Clinical Medicine, DOI: 10.3390/jcm9061877. PubMed ID: 32560175
- A. Foroutan, C. Fitzsimmons, r. Mandal, M. V. Berjanskii, and David S W.ishart (2020). Serum Metabolite Biomarkers for Predicting Residual Feed Intake (RFI) of Young Angus Bulls. Metabolites, DOI: 10.3390/metabo10120491 PubMed ID: 33266049
- G. Zhang, G. Zwierzchowski, R. Mandal, David S. Wishart, and B. N. Ametaj (2020). Serum Metabolomics Identifies Metabolite Panels that Differentiate Lame Dairy Cows from Healthy Ones. Metabolomics, DOI: 10.1007/s11306-020-01693-z PubMed ID: 32535675
- Wishart, David (2020). Statistical Evaluation and Integration of Multi-omics Data with MetaboAnalyst. Royal Society of Chemistry, https://doi.org/10.1039/9781788019880-00281
- 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
- M. J. Lemieux and Michael Overduin (2020). Structure and Function of Proteins in Membranes and Nanodiscs. Biochimica et Biophysica Acta (BBA) – Reviews on Biomembranes, DOI: 10.1016/j.bbamem.2020.183445 PubMed ID: 32841614
- J. A. Bryant, F. C. Morris, T. J. Knowles, R. Maderbocus, E. Heinz, G. Boelter, D. Alodaini, A. Colyer, P. J. Wotherspoon, K. A. Staunton, M. Jeeves, D. F. Browing, Y. R. Sevastsyanovich, T. J. Wells, A. E. Rossiter, V. N. Bavro, P. Sridhar, D. G. Ward, Z. chong, E. C. Goodall, C. Icke, A. C. Teo, S. Chng, D. I. Roper, T. Lithgow, A. F. Cunningham, M. Banzhaf, MIchael Overduin, and I. R. Henderson (2020). Structure of Dual-BON Domain Protein DolP Identifies Phospholipid Binding as a New Mechanism for Protein Localization. eLife, DOI: 10.7554/eLife.62614 PubMed ID: 33315009
- D. Chen, J. Han, D. Schibli, Z. Zhang, and Christoph H. Borchers (2020). Supermolecule-assisted Imaging of Low-molecular-weight Quaternary-ammonium Compounds by MALDI-MS of their Non-covalent Complexes with Cucurbit[7]uril. RSC Advances, DOI: 10.1039/D0RA04604C
- 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
- A. Foroutan, C. Fitzsimmons, R. Mandal, H. Piri-Moghadam, J. Zheng, A. Guo, C. Li, L. L. Guan, and David S. Wishart (2020). The Bovine Metabolome. Metabolites, DOI: 10.3390/metabo10060233 PubMed ID: 32517015
- T. Gutierrez, H. Qi, N. Tahbaz, L. A. Milburn, E. Lucchinetti, P. Lou, M. Zaugg, P. G. LaPointe, P. Mercier, Michael Overduin, H. Bischof, S. Burgstaller, R. Malli, K. Ballanyi, J. Shuai, and T. Simmen (2020). The ER Chaperone Calnexin Controls Mitochondrial Positioning and Respiration. Science Signaling, DOI: 10.1126/scisignal.aax6660 PubMed ID: 32606038
- Y. Lopez-Hernandez, J. J. Oropeza-Valdez, J. O. Blanco-Sandate, A. S. Herrara-Van Oostdam, J. Zheng, A. C. Guo, V. Lima-Rogel, R. Rajabzadeh, M. Salgado-Bustamante, J. Adrian-Lopez, C. G. Castillo, E. R. Arguelles, J. Monarrez-Espino, R. Mandal, and David S. Wishart (2020). The Urinary Metabolome of Healthy Newborns. Metabolites, DOI: 10.3390/metabo10040165 PubMed ID: 32340350
- 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
- S. L. Nam, A. P. de la Mata, R. P. Dias, and James J. Harynuk (2020). Towards Standardization of Data Normalization Strategies to Improve Urinary Metabolomics Studies by GC�GC-TOFMS. Metabolites, DOI: 10.3390/metabo10090376 PubMed ID: 32961779
- G. Zhang, E. Dervishi, G. Zwierzchowski, R. Mandal, David S. Wishart, and B. N. Ametaj (2020). Urinary Metabolomics Around Parturition Identifies Metabolite Alterations in Dairy Cows Affected Postpartum by Lameness: Preliminary Study Diary. Dairy, DOI: 10.3390/dairy1010002
- E. F. Eckel, G. Zhang, E. Dervishi, G. Zwierzchowski, R. Mandal, David S. Wishart, and B. N. Ametaj (2020). Urinary Metabolomics Fingerprinting Around Parturition Identifies Metabolites that Differentiate Lame Dairy Cows from Healthy Ones. Animals, DOI: 10.1017/S1751731120001172 PubMed ID: 32498732
- M. Wyss, K. Brown, C. Thomson, F. Terra, F. Ronchi, D. Bihan, Ian A. Lewis, M. B. Geuking, and K. D. McCoy (2020). Using Precisely Defined in vivo Microbiotas to Understand Microbial Regulation of IgE. Frontiers in Immunology, DOI: 10.3389/fimmu.2019.03107 PubMed ID: 32010146
- T. D. Blydt-Hansen, A. Sharma, I. W.Gibson,C. Wiebe, A. P. Sharma, V. Langlois, C. W. Teoh, D. Rush, P. Nickerson, David S. Wishart, and J. Ho (2020). Validity and Utility of Urinary CXCL10/Cr Immune Monitoring in Pediatric Kidney Transplant Recipients. American Journal of Transplantation, DOI: 10.1111/ajt.16336 PubMed ID: 33034126
- M. A. Anwar, A. A. Barrera-Machuca, N. Calderon, W. Wang, D. Tausan, T. Vayali, David S. Wishart, P. Cullis, and R. Fraser (2020). Value-based Healthcare Delivery through Metabolomics-based Personalized Health Pplatform. Healthcare Management Forum, DOI: 10.1177/0840470420904733 PubMed ID: 32077764
- R. Mandal, R. Cano, C. D. Davis, D. Hayashi, S. A. Jackson, C. M. Jones, J. W. Lampe, M. E. Latulippe, N. J. Lin, K. A. Lippa, P. Piotrowski, S. M. Da Silva, K. S. Swanson, and David S. Wishart (2020). Workshop Report: Toward the Development of a Hhuman Whole Stool Reference Material for Metabolomic and Metagenomic Gut Microbiome Measurements. Metabolomics, DOI: 10.1007/s11306-020-01744-5 PubMed ID: 33164148
2019
- 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
- Marcia A LeVatte, Matthias Lipfert, Jiamin Zheng, David S Wishart (2019). A fast, sensitive, single-step colorimetric dipstick assay for quantifying ascorbic acid in urine. Analytical biochemistry, 10.1016/j.ab.2019.05.015 PubMed ID: 31153872
- Marco De Giorgi, Kelsey E Jarrett, Jason C Burton, Alexandria M Doerfler, Ayrea Hurley, Ang Li, Rachel H Hsu, Mia Furgurson, Jun Han, Christoph H Borchers, William R Lagor (2019). Acute Liver-Specific Deletion of HMG-CoA Reductase Results in Depletion of Essential Isoprenoids and ER Stress. Arteriosclerosis, Thrombosis, and Vascular Biology,
- Ray O Bahado‐Singh, Jiri Sonek, David McKenna, David Cool, Buket Aydas, Onur Turkoglu, Trent Bjorndahl, Rupasri Mandal, David Wishart, Perry Friedman, Stewart F Graham, Ali Yilmaz (2019). Artificial intelligence and amniotic fluid multiomics: the prediction of perinatal outcome in asymptomatic women with short cervix. Ultrasound in Obstetrics & Gynecology, 10.1002/uog.20168 PubMed ID: 30381856
- 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, doi.org/10.1101/701086
- 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
- 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
- Derrick Blackmore, Zaeem Siddiqi, Liang Li, Nan Wang, Walter Maksymowych (2019). Beyond the antibodies: serum metabolomic profiling of myasthenia gravis. Metabolomics, 10.1007/s11306-019-1571-9 PubMed ID: 31372762
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- Deying Chen, Jiong Yu, Zhehua Zhang, Xiaoling Su, Liang Li, Lanjuan Li (2019). Controlling Preanalytical Process in High-Coverage Quantitative Metabolomics: Spot-Sample Collection for Mouse Urine and Fecal Metabolome Profiling. Analytical Chemistry, 10.1021/acs.analchem.9b00310 PubMed ID: 30900868
- 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
- Evgeniy V Petrotchenko, Jason J Serpa, Christoph H Borchers (2019). Cross‐linking Applications in Structural Proteomics. Proteomics for Biological Discovery, 10.1002/9781119081661.ch7
- 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,
- 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
- 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
- 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
- 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
- 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
- Claudio Iacobucci, Christine Piotrowski, Ruedi Aebersold, Bruno C Amaral, Philip Andrews, Katja Bernfur, Christoph Borchers, Nicolas I Brodie, James E Bruce, Yong Cao, Stephane Chaignepain, Juan D Chavez, Stéphane Claverol, Jurgen Cox, Trisha Davis, Gianluca Degliesposti, Meng-Qiu Dong, Nufar Edinger, Cecilia Emanuelsson, Marina Gay, Michael Götze, Francisco Gomes-Neto, Fabio C Gozzo, Craig Gutierrez, Caroline Haupt, Albert JR Heck, Franz Herzog, Lan Huang, Michael R Hoopmann, Nir Kalisman, Oleg Klykov, Zdenek Kukacka, Fan Liu, Michael J MacCoss, Karl Mechtler, Ravit Mesika, Robert L Moritz, Nagarjuna Nagaraj, Victor Nesati, Ana GC Neves-Ferreira, Robert Ninnis, Petr Novák, Francis J O’Reilly, Matthias Pelzing, Evgeniy Petrotchenko, Lolita Piersimoni, Manolo Plasencia, Tara Pukala, Kasper D Rand, Juri Rappsilber, Dana Reichmann, Carolin Sailer, Chris P Sarnowski, Richard A Scheltema, Carla Schmidt, David C Schriemer, Yi Shi, J Mark Skehel, Moriya Slavin, Frank Sobott, Victor Solis-Mezarino, Heike Stephanowitz, Florian Stengel, Christian E Stieger, Esben Trabjerg, Michael Trnka, Marta Vilaseca, Rosa Viner, Yufei Xiang, Sule Yilmaz, Alex Zelter, Daniel Ziemianowicz, Alexander Leitner, Andrea Sinz (2019). First Community-Wide, Comparative Cross-Linking Mass Spectrometry Study. Analytical chemistry, 10.1021/acs.analchem.9b00658 PubMed ID: 31045356
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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). Intense light-mediated circadian cardioprotection via transcriptional reprogramming of the endothelium. Cell Reports, 10.1016/j.celrep.2019.07.020 PubMed ID: 31390562
- Thompson JW, Adams KJ, Adamski J, Asad Y, Borts D, Bowden JA, Byram G, Dang V, Dunn WB, Fernandez F, Fiehn O, Gaul DA, Hühmer AF, Kalli A, Koal T, Koeniger S, Mandal R, Meier F, Naser FJ, O’Neil D, Pal A, Patti GJ, Pham-Tuan H, Prehn C, Raynaud FI, Shen T, Southam AD, St John-Williams L, Sulek K, Vasilopoulou CG, Viant M, Winder CL, Wishart D, Zhang L, Zheng J, Moseley MA (2019). International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis. Analytical chemistry, 10.1021/acs.analchem.9b02908 PubMed ID: 31638379
- Alastair Barr, Michael Overduin (2019). JoVE Methods Collection Highlights: Protein-Protein Interactions. JoVE (Journal of Visualized Experiments), 10.3791/59816 PubMed ID: 31219457
- Lei Chen, Nan Li, Shunnan Ge, Andres M Lozano, Darrin J Lee, Chen Yang, Liang Li, Qianrong Bai, Hongbing Lu, Jing Wang, Xin Wang, Jiaming Li, Jiangpeng Jing, Mingming Su, Longxiao Wei, Xuelian Wang, Guodong Gao (2019). Long-term results after deep brain stimulation of nucleus accumbens and the anterior limb of the internal capsule for preventing heroin relapse: An open-label pilot study. Brain Stimulation, 10.1016/j.brs.2018.09.006 PubMed ID: 30245163
- Yunong Li, Liang Li (2019). Mass Accuracy Check Using Common Background Peaks for Improving Metabolome Data Quality in Chemical Isotope Labeling LC-MS. Journal of The American Society for Mass Spectrometry, 10.1007/s13361-019-02248-w PubMed ID: 31140076
- Carol E Parker, Maria RE Warren Hines, Viorel Mocanu, Susanna F Greer, Christoph H Borchers (2019). Mass Spectrometric Determination of Protein Ubiquitination. Post-Translational Modification of Proteins, 10.1007/978-1-4939-9055-9_13
- Michelle Saoi, Alice Li, Chris McGlory, Tanner Stokes, Mark T von Allmen, Stuart M Phillips, Philip Britz-McKibbin (2019). Metabolic Perturbations from Step Reduction in Older Persons at Risk for Sarcopenia: Plasma Biomarkers of Abrupt Changes in Physical Activity. Metabolites, 10.3390/metabo9070134 PubMed ID: 31288431
- Alicia DiBattista, Nathan McIntosh, Monica Lamoureux, Osama Y Al-Dirbashi, Pranesh Chakraborty, Philip Britz-McKibbin (2019). Metabolic Signatures of Cystic Fibrosis Identified in Dried Blood Spots for Newborn Screening Without Carrier Identification. Journal of Proteome Research, 10.1021/acs.jproteome.8b00351 PubMed ID: 30507207
- Nadine Wellington, Meera Shanmuganathan, Russell J de Souza, Michael A Zulyniak, Sandi Azab, Jonathon Bloomfield, Alicia Mell, Ritchie Ly, Dipika Desai, Sonia S Anand, Philip Britz-McKibbin (2019). Metabolic Trajectories Following Contrasting Prudent and Western Diets from Food Provisions: Robust Biomarkers of Short-Term Changes in Habitual Diet. Preprints, 10.20944/preprints201908.0149.v1
- Indranil Sarkar, Adriana Zardini Buzatto, Ravendra Garg, Liang Li, Sylvia van Drunen Littel-van den Hurk (2019). Metabolomic and immunological profiling of respiratory syncytial virus infection after intranasal immunization with a subunit vaccine candidate. Journal of Proteome Research, 10.1021/acs.jproteome.8b00806 PubMed ID: 30706717
- Shuang Zhao, Hao Li, Wei Han, Wan Chan, Liang Li (2019). Metabolomic Coverage of Chemical-Group-Submetabolome Analysis: Group Classification and Four-Channel Chemical Isotope Labeling LC-MS. Analytical chemistry, 10.1021/acs.analchem.9b03431 PubMed ID: 31441644
- Perry Friedman, Ali Yilmaz, Amna Zeb, Aydas Buket, Amy Whitten, Ali Alhousseini, Dotun Ogunyemi, BeomSoo Han, Rupasri Mandal, David Wishart, Stewart Graham, Ray Bahado-Singh (2019). Metabolomic prediction of prematurity in asymptomatic short cervix. American Journal of Obstetrics and Gynecology,
- 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
- 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
- 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
- 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
- David S Wishart (2019). Metabolomics for Investigating Physiological and Pathophysiological Processes. Physiological reviews, 10.1152/physrev.00035.2018 PubMed ID: 31434538
- 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
- 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
- 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
- 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
- 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
- Michael Overduin, Mansoore Esmaili (2019). Native Nanodiscs and the Convergence of Lipidomics, Metabolomics, Interactomics and Proteomics. Applied Sciences, 10.3390/app9061230
- 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
- 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
- David S Wishart (2019). NMR metabolomics: A look ahead. Journal of Magnetic Resonance, 10.1016/j.jmr.2019.07.013 PubMed ID: 31377153
- 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
- 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
- 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
- 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
- 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
- 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
- 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,
- 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
- 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
- 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
- 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
- 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
- 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,
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- Keisean AJM Stevenson, Leonid M Blumberg, James J Harynuk (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
- 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
- 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
- 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
- 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
- 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
- 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
2018
- 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
- 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
- Zheng, J., Mandal, R., Wishart, D.S. (2018). A sensitive, high-throughput LC-MS/MS method for measuring catecholamines in low volume serum.. Analytica Chimica Acta., 10.1016/j.aca.2018.01.021
- 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
- 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
- Keshteli, A.H., Madsen, K., Nickurak, C., Kroeker, K.I., Mandal, R., Valcheva, R.S., Wishart, D.S., Veldhuyzen van Zanten, S., Halloran, B.P., Fedorak, R., Dieleman, L.A. (2018). A16 FOLLOWING AN ANTI-INFLAMMATORY DIET PREVENTS INCREASES OF FECAL CALPROTECTIN AND ALTERS METABOLOMIC PROFILE OF ULCERATIVE COLITIS PATIENTS, A RANDOMIZED CONTROLLED TRIAL.. Journal of the Canadian Association of Gastroenterology, Volume 1, Issue suppl_2, 1 March 2018, Pg 25–26, 10.1093/jcag/gwy009.016
- Shraddha Sapkota, Tao Huan, Tran Tran, Jiamin Zheng, Richard Camicioli, Liang Li, Roger A Dixon (2018). Alzheimer’s Biomarkers from Multiple Modalities Selectively Discriminate Clinical Status: Relative Importance of Salivary Metabolomics Panels, Genetic, Lifestyle, Cognitive, Functional Health, and Demographic Risk Markers. Frontiers in Aging Neuroscience, 10.3389/fnagi.2018.00296 PubMed ID: 30333744
- Sonek, J., Bahado-Singh, R., McKenna, D., Cool, D., Bjorndahl, T., Han, B., Mandal, R., Wishart, D.S., Cayuela, A., Kumar, P., Yilmex, A., Graham, S., Friedman, P. (2018). Amniotic fluid metabolomics and targeted proteomics in prediction of preterm birth.. American Journal of Obstetrics and Gynecology, January 2018, Volume 218, Issue 1, pg S432, 10.1016/j.ajog.2017.11.249
- Mung, D., Li, L. (2018). Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk.. Anal Chim Acta. 2018 Feb 25; 1001:78-85, 10.1016/j.aca.2017.11.019 PubMed ID: 29291809
- Linda H Münger, Mar Garcia-Aloy, Rosa Vázquez-Fresno, Doreen Gille, Albert Remus R Rosana, Anna Passerini, María-Trinidad Soria-Florido, Grégory Pimentel, Tanvir Sajed, David S Wishart, Cristina Andres Lacueva, Guy Vergères, Giulia Praticò (2018). Biomarker of food intake for assessing the consumption of dairy and egg products. Genes & Nutrition, 10.1186/s12263-018-0615-5 PubMed ID: 30279743
- Cheng-Chia Lee, Ya-Ju Hsieh, Shao-Wei Chen, Shu-Hsuan Fu, Chia-Wei Hsu, Chih-Ching Wu, Wei Han, Yunong Li, Tao Huan, Yu-Sun Chang, Jau-Song Yu, Liang Li, Chih-Hsiang Chang, Yi-Ting Chen (2018). Bretschneider solution-induced alterations in the urine metabolome in cardiac surgery patients. Scientific Reports, 10.1038/s41598-018-35631-w PubMed ID: 30538262
- Han, W., Li, L. (2018). Chemical Isotope Labeling LC-MS for Human Blood Metabolome Analysis.. Methods Mol Biol. 2018; 1730:213-225, 10.1007/978-1-4939-7592-1_14 PubMed ID: 29363075
- Cassiède, M., Mercier, P., Shipley, P.R., Dueck, M., Kamravaei, S., Nair, S., Mino, J., Pei, L., Broadhurst, D., Lacya, P., Quémeraisa, B. (2018). Comparison of computational approaches for identification and quantification of urinary metabolites in 1H NMR spectra.. Anal. Methods (2018); 10:2129-37, 10.1039/C8AY00830B
- Liu, T., Wang, R.X., Han, J., Hao, C.Z., Qiu, Y.L., Yan, Y.Y., Li, L.T., Wang, N.L., Gong, J.Y., Lu, Y., Zhang, M.H., Xie, X.B., Yang, J.C., You, Y.J., Li, J.Q., Knisely, A.S., Borchers, C.H., Ling, V., Wang, J.S. (2018). Comprehensive bile acid profiling in hereditary intrahepatic cholestasis: Genetic and clinical correlations.. Liver Int., 10.1111/liv.13714 PubMed ID: 29412511
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- Xian Luo, Mingrui An, Kyle C Cuneo, David M Lubman, Liang Li (2018). High-performance chemical isotope labeling liquid chromatography mass spectrometry for exosome metabolomics. Analytical Chemistry, 10.1021/acs.analchem.8b01726 PubMed ID: 29920066
- Wishart, D.S., Feunang, Y.D., Marcu, A., Guo, A.C., Liang, K., Vázquez-Fresno, R., Sajed, T., Johnson, D., Li, C., Karu, N., Sayeeda, Z., Lo, E., Assempour, N., Berjanskii, M., Singhal, S., Arndt, D., Liang, Y., Badran, H., Grant, J., Serra-Cayuela, A., Liu, Y., Mandal, R., Neveu, V., Pon, A., Knox, C., Wilson, M., Manach, C., Scalbert, A. (2018). HMDB 4.0: the human metabolome database for 2018.. Nucleic Acids Res. 2018 Jan 4; 46(D1):D608-D617, 10.1093/nar/gkx1089 PubMed ID: 29140435
- Hailemariam, D., Zhang, G., Mandal, R., Wishart, D.S., Ametaj, B. (2018). Identification of serum metabolites associated with the risk of metritis in transition dairy cows.. Canadian Journal of Animal Science, 10.1139/CJAS-2017-0069
- 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
- Han, J., Higgins, R., Lim, M.D., Atkinsona, K., Yang, J., Lin, K., Borchers, C.H. (2018). Isotope-labeling derivatization with 3-nitrophenylhydrazine for LC/multiple-reaction monitoring-mass-spectrometry-based quantitation of carnitines in dried blood spots. Analytica Chimica Acta, 10.1016/j.aca.2018.01.045
- 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
- 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
- AWL Bayci, DA Baker, AE Somerset, O Turkoglu, Z Hothem, RE Callahan, R Mandal, B Han, T Bjorndahl, D Wishart, R Bahado-Singh, SF Graham, R Keidan (2018). Metabolomic identification of diagnostic serum-based biomarkers for advanced stage melanoma. Metabolomics, 10.1007/s11306-018-1398-9 PubMed ID: 30830422
- 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
- Bahado-Singh, R.O., Lugade, A., Field, J., Al-Wahab, Z., Han, B., Mandal, R., Bjorndahl, T., Türkoğlu, O., Graham, S., Wishart, D.S., Odunsi, K. (2018). Metabolomic prediction of endometrial cancer.. Metabolomics (2018) 14: 6, 10.1007/s11306-017-1290-z
- Tao Huan, Tran Tran, Jiamin Zheng, Shraddha Sapkota, Stuart W MacDonald, Richard Camicioli, Roger A Dixon, Liang Li (2018). Metabolomics analyses of saliva detect novel biomarkers of Alzheimer’s disease. Journal of Alzheimer’s Disease, 10.3233/JAD-180711 PubMed ID: 30175979
- Veronika Boczonadi, Martin S King, Anthony C Smith, Monika Olahova, Boglarka Bansagi, Andreas Roos, Filmon Eyassu, Christoph Borchers, Venkateswaran Ramesh, Hanns Lochmüller, Tuomo Polvikoski, Roger G Whittaker, Angela Pyle, Helen Griffin, Robert W Taylor, Patrick F Chinnery, Alan J Robinson, Edmund RS Kunji, Rita Horvath (2018). Mitochondrial oxodicarboxylate carrier deficiency is associated with mitochondrial DNA depletion and spinal muscular atrophy-like disease. Genetics in Medicine, 10.1038/gim.2017.251 PubMed ID: 29517768
- Schober, D., Jacob, D., Wilson, M., Cruz, J.A., Marcu, A., Grant, J.R., Moing, A., Deborde, C., de Figueiredo, L.F., Haug, K., Rocca-Serra, P., Easton, J., Ebbels, T.M.D., Hao, J., Ludwig, C., Günther, U.L., Rosato, A., Klein, M.S., Lewis, I.A., Luchinat, C., Jones, A.R., Grauslys, A., Larralde, M., Yokochi, M., Kobayashi, N., Porzel, A., Griffin, J.L., Viant, M.R., Wishart, D.S., Steinbeck, C., Salek, R.M., Neumann, S. (2018). nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data.. Anal Chem. 2018 Jan 2; 90(1):649-656, 10.1021/acs.analchem.7b02795 PubMed ID: 29035042
- Gaser N Abdelrasoul, Scott MacKay, Saad Y Salim, Kathleen P Ismond, Marcus Tamura, Charfeddine Khalifa, Emma Mannan, Donghai Lin, Tanushree Mandal, Ruth R Montgomery, David S Wishart, Jie Chen, Rachel G Khadaroo (2018). Non-invasive point-of-care device to diagnose acute mesenteric ischemia. ACS Sensors, 10.1021/acssensors.8b00558 PubMed ID: 30335977
- Adina Landsberg, Atul Sharma, Ian W Gibson, David Rush, David S Wishart, Tom D Blydt‐Hansen (2018). Non-invasive staging of chronic kidney allograft damage using urine metabolomic profiling. Pediatric Transplantation, 10.1111/petr.13226 PubMed ID: 29855144
- Huang, W., Brewer, L.K., Jones, J.W., Nguyen, A.T., Marcu, A., Wishart, D.S., Oglesby-Sherrouse, A.G., Kane, M.A., Wilks, A. (2018). PAMDB: a comprehensive Pseudomonas aeruginosa metabolome database.. Nucleic Acids Res. 2018 Jan 4; 46(D1):D575-D580, 10.1093/nar/gkx1061 PubMed ID: 29106626
- Tom O’Callaghan, Rosa Vázquez-Fresno, Arnau Serra-Cayuela, Edison Dong, Rupasri Mandal, Deirdre Hennessy, Stephen McAuliffe, Pat Dillon, David Wishart, Catherine Stanton, R Ross (2018). Pasture feeding changes the bovine rumen and milk metabolome. Metabolites, 10.3390/metabo8020027 PubMed ID: 29642378
- David Wishart, Guowang Xu (2018). Preface. Analytica Chimica Acta, 10.1016/j.aca.2018.09.046 PubMed ID: 30292283
- K Roveran Genga, H Kong, D Wishart, C Borchers, L Brunham, P Cullis, KR Walley, JH Boyd, JA Russell (2018). Proteomic, Metabolomic and Lipidomic Deficiencies in Human Sepsis Compared to Health-Preliminary Study. ATS Journal, 10.1164/ajrccm-conference.2018.197.1_MeetingAbstracts.A1813
- David Achaintre, Audrey Gicquiau, Liang Li, Sabina Rinaldi, Augustin Scalbert (2018). Quantification of 38 dietary polyphenols in plasma by differential isotope labelling and liquid chromatography electrospray ionization tandem mass spectrometry. Journal of Chromatography A, 10.1016/j.chroma.2018.05.017 PubMed ID: 29759646
- Abdul-Hamid Emwas, Edoardo Saccenti, Xin Gao, Ryan T McKay, Vitor AP Martins dos Santos, Raja Roy, David S Wishart (2018). Recommended strategies for spectral processing and post-processing of 1D 1H-NMR data of biofluids with a particular focus on urine. Metabolomics, 10.1007/s11306-018-1321-4 PubMed ID: 29479299
- John Paul Glaves, Carol L Ladner-Keay, Trent C Bjorndahl, David S Wishart, Brian D Sykes (2018). Residue-specific mobility changes in soluble oligomers of the prion protein define regions involved in aggregation. Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics, 10.1016/j.bbapap.2018.06.005 PubMed ID: 29935976
- Klein, B.A., Reiz, B., Robertson, I.M., Irving, M., Li, L., Sun, Y.B., Sykes, B.D. (2018). Reversible Covalent Reaction of Levosimendan with Cardiac Troponin C in Vitro and in Situ.. Biochemistry. 2018 Apr 17; 57(15):2256-2265, 10.1021/acs.biochem.8b00109 PubMed ID: 29558109
- Ammar H Keshteli, Karen Madsen, Cheryl Nickurak, Karen I Kroeker, HeeKuk Park, Rosica Valcheva, Rupasri Mandal, David S Wishart, Sander Veldhuyzen van Zanten, Brendan P Halloran, Richard N Fedorak, Levinus A Dieleman (2018). Sa1747-An Anti-Inflammatory Diet Prevents Subclinical Inflammation and Associated Changes in Gut Microbiota and Metabolomic Profiles in Ulcerative Colitis Patients. Gastroenterology, 10.1016/S0016-5085(18)31571-3
- Han, J., Higgins, R., Lim, M.D., Lin, K., Yang, J., Borchers, C.H. (2018). Short-Term Stabilities of 21 Amino Acids in Dried Blood Spots. Clin Chem. 2018 Feb; 64(2):400-402, 10.1373/clinchem.2017.278457 PubMed ID: 29097508
- Mohammed M Abdul-Bari, Rachel H McQueen, Ha Nguyen, Wendy V Wismer, A Paulina de la Mata, James J Harynuk (2018). Synthetic Clothing and the Problem With Odor: Comparison of Nylon and Polyester Fabrics. Clothing and Textiles Research Journal, 10.1177/0887302X18772099
- Dervishi, E., Zhang, G., Mandal, R., Wishart, D.S., Ametaj, B.N. (2018). Targeted metabolomics: new insights into pathobiology of retained placenta in dairy cows and potential risk biomarkers.. Animal (2018); 12(5), 1050-1059, 10.1017/S1751731117002506 PubMed ID: 29032783
- Rupasri Mandal, Danuta Chamot, David S Wishart (2018). The role of the Human Metabolome Database in inborn errors of metabolism. Journal of inherited metabolic disease, 10.1007/s10545-018-0137-8 PubMed ID: 29663269
- Mitchell J Geer, Johanna P van Geffen, Piraveen Gopalasingam, Timo Vögtle, Christopher W Smith, Silke Heising, Marijke JE Kuijpers, Bibian ME Tullemans, Gavin E Jarvis, Johannes A Eble, Mark Jeeves, Michael Overduin, Johan WM Heemskerk, Alexandra Mazharian, Yotis A Senis (2018). Uncoupling ITIM receptor G6b-B from tyrosine phosphatases Shp1 and Shp2 disrupts murine platelet homeostasis. Blood, 10.1182/blood-2017-10-802975 PubMed ID: 29891536
- Jonathan Martens, Giel Berden, Herman Bentlage, Karlien LM Coene, Udo F Engelke, David Wishart, Monique van Scherpenzeel, Leo AJ Kluijtmans, Ron A Wevers, Jos Oomens (2018). Unraveling the unknown areas of the human metabolome: the role of infrared ion spectroscopy. Journal of inherited metabolic disease, 10.1007/s10545-018-0161-8 PubMed ID: 29556837
- E Dervishi, G Zhang, D Hailemariam, R Mandal, DS Wishart, BN Ametaj (2018). Urine metabolic fingerprinting can be used to predict the risk of metritis and highlight the pathobiology of the disease in dairy cows. Metabolomics, 10.1007/s11306-018-1379-z PubMed ID: 30830348
- Lars O Dragsted, Qian Gao, Augustin Scalbert, Guy Vergères, Marjukka Kolehmainen, Claudine Manach, Lorraine Brennan, Lydia A Afman, David S Wishart, C Andres Lacueva, Mar Garcia-Aloy, H Verhagen, EJM Feskens, Giulia Praticò (2018). Validation of biomarkers of food intake-critical assessment of candidate biomarkers. Genes & Nutrition, 10.1186/s12263-018-0603-9 PubMed ID: 29861790
2017
- Dervishi, Elda & Zhang, Guanshi & Mandal, R & S. Wishart, D & Ametaj, Burim (2017). 043 Metabolomics uncovers serum biomarkers that can predict the risk of retained placenta in transition dairy cows.. Journal of Animal Science 95:21, 10.2527/asasann.2017.043
- Zhang, G., Mandal, R., Wishart, D.S., Ametaj, B. (2017). 046 Serum and urine metallotyping of preketotic and ketotic dairy cows reveals major alterations in multiple mineral elements.. Journal of Animal Science. 95:23, 10.2527/asasann.2017.046
- B. N. Ametaj E. Dervishi R. Mandal D. S. Wishart G. Zhang (2017). 1H-NMR–based metabolomics identifies new predictive urinary biomarkers and highlights the pathobiology of ketosis in periparturient dairy cows.. Journal of Animal Science, Volume 95, Suppliment 4, pg 167-8, 1 August 2017,, 10.2527/asasann.2017.339
- Zhang, Guanshi & Deng, Qilan & Mandal, R & S. Wishart, D & Ametaj, Burim (2017). 340 Metabolomics-based profiling identifies serum signatures that predict the risk of metritis in transition dairy cows.. Journal of Animal Science. 95:168, 10.2527/asasann.2017.340
- Alicia DiBattista, Dianne Rampersaud, Howard Lee‡Marcus Kim, Philip Britz-McKibbin (2017). A High Throughput Screening Method for Systematic Surveillance of Drugs of Abuse by Multisegment Injection-Capillary Electrophoresis-Mass Spectrometry. Analytical Chemistry, 10.1021/acs.analchem.7b03590
- Gao, Q., Praticò, G., Scalbert, A., Vergères, G., Kolehmainen, M., Manach, C., Brennan, L., Afman, L.A., Wishart, D.S., Andres-Lacueva, C., Garcia-Aloy, M., Verhagen, H., Feskens, E.J.M., Dragsted, L.O. (2017). A scheme for a flexible classification of dietary and health biomarkers. Genes Nutr. 2017 Dec 12;12:34, PubMed ID: 29255495
- Ramirez-Gaona, M., Marcu, A., Grant, J., Wu, A., Wishart, D.S. (2017). A Web Tool for Generating High Quality Machine-readable Biological Pathways.. J Vis Exp (120), 10.3791/54869 PubMed ID: 28287524
- Keshteli, A.H., Madsen, K., Nickurak, C., Kroeker, K., Mandal, R., Wishart, D.S., Veldhuyzen van Zanten, S., Halloran, B., Fedorak, R., Valcheva, R., Dieleman, L. (2017). Adherence to an Anti-Inflammatory Diet Prevents Increases in Colonic Inflammation in Ulcerative Colitis Patients in Remission.. Gastroenterology. 152. S599, 10.1016/S0016-5085(17)32142-X
- Wishart, D.S. (2017). Bioinformatics Computing and Software. Bioinformatics Computing and Software, isbn 978-7-03-0426390
- Chen, D., Su, X., Li, Y., Yin, H., Li, L., Li, L. (2017). Chemical Isotope Labeling LC-MS for Monitoring Disease Progression and Treatment in Animal Models: Plasma Metabolomics Study of Osteoarthritis Rat Model.. Sci Rep 7:40543, 10.1038/srep40543 PubMed ID: 28091618
- Brouwer-Brolsma, E.M., Brennan, L., Drevon, C.A., van Kranen, H., Manach, C., Dragsted, L.O., Roche, H.M., Andres-Lacueva, C., Bakker, S.J.L., Bouwman, J., Capozzi, F., De Saeger, S., Gundersen, T.E., Kolehmainen, M., Kulling, S.E., Landberg, R., Linseisen, J., Mattivi, F., Mensink, R.P., Scaccini, C., Skurk, T., Tetens, I., Vergeres, G., Wishart, D.S., Scalbert, A., Feskens, E.J.M. (2017). Combining traditional dietary assessment methods with novel metabolomics techniques: present efforts by the Food Biomarker Alliance.. Proc Nutr Soc. 2017 Nov; 76(4):619-627, 10.1017/S0029665117003949 PubMed ID: 29137687
- Qiu YL, Gong JY, Feng JY, Wang RX, Han J, Liu T, Lu Y, Li LT, Zhang MH, Sheps JA, Wang NL, Yan YY, Li JQ, Chen L, Borchers CH, Sipos B, Knisely AS, Ling V, Xing QH, Wang JS. (2017). Defects in myosin VB are associated with a spectrum of previously undiagnosed low γ-glutamyltransferase cholestasis.. Hepatology, 10.1002/hep.29020 PubMed ID: 28027573
- Deng, L., Chang, D., Foshaug, R.R., Eisner, R., Tso, V.K., Wishart, D.S., Fedorak, R.N. (2017). Development and Validation of a High-Throughput Mass Spectrometry Based Urine Metabolomic Test for the Detection of Colonic Adenomatous Polyps.. Metabolites. 7(3). pii: E32, 10.3390/metabo7030032 PubMed ID: 28640228
- Luo, X., Gu, X., Li, L. (2017). Development of a simple and efficient method of harvesting and lysing adherent mammalian cells for chemical isotope labeling LC-MS-based cellular metabolomics.. Analytica Chimica Acta, 10.1016/j.aca.2017.11.054
- Mung, D., Li, L. (2017). Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome.. Anal Chem. 89(8):4435-4443., doi: 10.1021/acs.analchem.6b03737 PubMed ID: 28306241
- Zhao, S., Dawe, M., Guo, K., Li, L. (2017). Development of High-Performance Chemical Isotope Labeling LC-MS for Profiling the Carbonyl Submetabolome.. Anal Chem. 2017 Jun 20; 89(12):6758-6765, 10.1021/acs.analchem.7b01098 PubMed ID: 28505421
- Zhang, G., Deng, Q., Mandal, R., Wishart, D.S., Ametaj, B.N. (2017). DI/LC-MS/MS-Based Metabolic Profiling for Identification of Early Predictive Serum Biomarkers of Metritis in Transition Dairy Cows.. J Agric Food Chem. 2017 Sep 27; 65(38):8510-8521, 10.1021/acs.jafc.7b02000 PubMed ID: 28862839
- Dragsted, L.O., Gao, Q., Praticò, G., Manach, C., Wishart, D.S., Scalbert, A., Feskens, E.J.M. (2017). Dietary and health biomarkers-time for an update.. Genes Nutr. 12:24, 10.1186/s12263-017-0578-y PubMed ID: 28974991
- Keshteli, A.H., van den Brand, F.F., Madsen, K.L., Mandal, R., Valcheva, R., Kroeker, K.I., Han, B., Bell, R.C., Cole, J., Hoevers, T., Wishart, D.S., Fedorak, R.N., Dieleman, L.A. (2017). Dietary and metabolomic determinants of relapse in ulcerative colitis patients: A pilot prospective cohort study.. World J Gastroenterol. 2017 Jun 7; 23(21):3890-3899, 10.3748/wjg.v23.i21.3890 PubMed ID: 28638229
- Oliynyk, A.O., Adutwum, L.A., Rudyk, B.W., Pisavadia, H., Lotfi, S., Hlukhyy, V., Harynuk, J.J., Mar, A., Brgoch, J. (2017). Disentangling Structural Confusion through Machine Learning: Structure Prediction and Polymorphism of Equiatomic Ternary Phases ABC.. J Am Chem Soc. 2017 Dec 13; 139(49):17870-17881, 10.1021/jacs.7b08460 PubMed ID: 29129069
- Yao, L., Shen, H., Wang, N., Tatlay, J., Li, L., Tan, T.W., Lee, Y.K. (2017). Elevated acetyl-CoA by amino acid recycling fuels microalgal neutral lipid accumulation in exponential growth phase for biofuel production.. Plant Biotechnol J. 2017 Apr; 15(4):497-509, 10.1111/pbi.12648 PubMed ID: 27734577
- Singh, R., Bezuidenhout, L.W., Jemere, A., Brett, M.J., Harrison, D.,J. (2017). Engineering matrix-free laser desorption ionization mass spectrometry using glancing angle deposition films.. Rapid Commun Mass Spectrom. 31(7):631-638., doi: 10.1002/rcm.7826. PubMed ID: 28075041
- Reynolds, L.A., Redpath, S.A., Yurist-Doutsch S, Gill N, Brown EM, van der Heijden, J., Brosschot, T.P., Han, J., Marshall, N.C., Woodward, S.E., Valdez, Y., Borchers, C.H., Perona-Wright, G., Finlay, B.B. (2017). Enteric Helminths Promote Salmonella Coinfection by Altering the Intestinal Metabolome.. J Infect Dis. 2017 Apr 15; 215(8):1245-1254, 10.1093/infdis/jix141 PubMed ID: 28368463
- Adutwum, L.A., de la Mata, A.P., Bean, H.D., Hill, J.E., Harynuk, J.J. (2017). Estimation of start and stop numbers for cluster resolution feature selection algorithm: an empirical approach using null distribution analysis of Fisher ratios.. Anal Bioanal Chem. 2017 Nov;409(28):6699-6708. Epub 2017 Sep 29., 10.1007/s00216-017-0628-8 PubMed ID: 28963623
- Neveu, V., Moussy, A., Rouaix, H., Wedekind, R., Pon, A., Knox, C., Wishart, D.S., Scalbert, A. (2017). Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors.. Nucleic Acids Res. D1(D979-84), 10.1093/nar/gkw980 PubMed ID: 27924041
- Bridgman, S.L., Azad, M.B., Field, C.J., Haqq, A.M., Becker, A.B., Mandhane, P.J., Subbarao, P., Turvey, S.E., Sears, M.R., Scott, J.A., Wishart, D.S., Kozyrskyj, A.L.; CHILD Study Investigators. (2017). Fecal Short-Chain Fatty Acid Variations by Breastfeeding Status in Infants at 4 Months: Differences in Relative versus Absolute Concentrations.. Front Nutr. 2017 Apr 10; 4:11, 10.3389/fnut.2017.00011 PubMed ID: 28443284
- Cao, Y., Griffith, B., Bhomkar, P., Wishart, D.S., McDermott, M.T. (2017). Functionalized gold nanoparticle-enhanced competitive assay for sensitive small-molecule metabolite detection using surface plasmon resonance.. Analyst. 2017 Dec 18; 143(1):289-296, 10.1039/c7an01680h PubMed ID: 29184920
- Dervishi, E., Zhang, G., Mandal, R., Wishart, D.S., Ametaj, B.N. (2017). GC-MS Metabolomics Identifies Metabolite Alterations That Precede Subclinical Mastitis in the Blood of Transition Dairy Cows.. J Proteome Res 16(2):433-446, 10.1021/acs.jproteome.6b00538 PubMed ID: 28152597
- Bowden, J.A., Heckert, A., Ulmer, C.Z., Jones, C.M., Koelmel, J.P., Abdullah, L., Ahonen, L., Alnouti, Y., Armando, A.M., Asara, J.M., Bamba, T., Barr, J.R., Bergquist, J., Borchers, C.H., Brandsma, J., Breitkopf, S.B., Cajka, T., Cazenave-Gassiot, A., Checa, A., Cinel, M.A., Colas, R.A., Cremers, S., Dennis, E.A., Evans, J.E., Fauland, A., Fiehn, O., Gardner, M.S., Garrett, T.J., Gotlinger, K.H., Han, J., Huang, Y., Neo, A.H., Hyötyläinen, T., Izumi, Y., Jiang, H., Jiang, H., Jiang, J., Kachman, M., Kiyonami, R., Klavins, K., Klose, C., Köfeler, H.C., Kolmert, J., Koal, T., Koster, G., Kuklenyik, Z., Kurland, I.J., Leadley, M., Lin, K., Maddipati, K.R., McDougall, D., Meikle, P.J., Mellett, N.A., Monnin, C., Moseley, M.A., Nandakumar, R., Oresic, M., Patterson, R., Peake, D., Pierce, J.S., Post, M., Postle, A.D., Pugh, R., Qiu, Y., Quehenberger, O., Ramrup, P., Rees, J., Rembiesa, B., Reynaud, D., Roth, M.R., Sales, S., Schuhmann, K., Schwartzman, M.L., Serhan, C.N., Shevchenko, A., Somerville, S.E., St John-Williams, L., Surma, M.A., Takeda, H., Thakare, R., Thompson, J.W., Torta, F., Triebl, A., Trötzmüller, M., Ubhayasekera, S.J.K., Vuckovic, D., Weir, J.M., Welti, R., Wenk, M.R., Wheelock, C.E., Yao, L., Yuan, M., Zhao, X.H., Zhou, S. (2017). Harmonizing lipidomics: NIST interlaboratory comparison exercise for lipidomics using SRM 1950-Metabolites in Frozen Human Plasma.. J Lipid Res. 2017 Dec; 58(12):2275-2288, 10.1194/jlr.M079012 PubMed ID: 28986437
- DiBattista, A., Rampersaud, D., Lee, H., Kim, M., Britz-McKibbin, P. (2017). High Throughput Screening Method for Systematic Surveillance of Drugs of Abuse by Multisegment Injection-Capillary Electrophoresis-Mass Spectrometry.. Anal Chem. 2017 Nov 7; 89(21):11853-11861, 10.1021/acs.analchem.7b03590 PubMed ID: 28981253
- Schultz, M.C., Zhang, J., Luo, X., Savchenko, O., Li, L., Deyholos, M., Chen, J. (2017). Impact of Low-Intensity Pulsed Ultrasound on Transcript and Metabolite Abundance in Saccharomyces cerevisiae.. J Proteome Res. 2017 Aug 4; 16(8):2975-2982, 10.1021/acs.jproteome.7b00273 PubMed ID: 28616987
- Sung, M.M., Kim, T.T., Soltys, C.M., Hamza, S.M., Byrne, N.J., Masson, G., Park, H., Wishart, D.S., Madsen, K.L., Schertzer, J.D., Dyck, J.R. (2017). Improved Glucose Homeostasis in Obese Mice Treated With Resveratrol Is Associated With Alterations in the Gut Microbiome.. Diabetes 66(2):418-425, 10.2337/db16-0680 PubMed ID: 27903747
- Blinov, N., Khorvash, M., Wishart, D.S., Cashman, N.R. and Kovalenko, A. (2017). Initial Structural Models of the Aβ42 Dimer from Replica Exchange Molecular Dynamics Simulations. ACS Omega, 10.1021/acsomega.7b00805
- Goldansaz, S.A., Guo, A.C., Sajed, T., Steele, M.A., Plastow, G.S., Wishart, D.S. (2017). Livestock metabolomics and the livestock metabolome: A systematic review.. PLoS One. 12(5):e0177675, 10.1371/journal.pone.0177675 PubMed ID: 28531195
- 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. (2017). Local Ion Signatures (LIS) for the examination of comprehensive two-dimensional gas chromatography applied to fire debris analysis.. Forensic Chemistry 3, dx.doi.org/10.1016/j.forc.2016.10.003
- Doran, M.L., Knee, J.M., Wang, N., Rzezniczak, T.Z., Parkes, T.L., Li, L., Merritt, T.J.S. (2017). Metabolomic analysis of oxidative stress: Superoxide dismutase mutation and paraquat induced stress in Drosophila melanogaster.. Free Radic Biol Med. 2017 Dec; 113:323-334, 10.1016/j.freeradbiomed.2017.10.011 PubMed ID: 29031835
- Zhang, G., Dervishi, E., Dunn, S.M., Mandal, R., Liu, P., Han, B., Wishart, D.S., Ametaj, B. (2017). Metabotyping reveals distinct metabolic alterations in ketotic cows and identifies early predictive serum biomarkers for the risk of disease.. Metabolomics. 13(4), 10.1007/s11306-017-1180-4
- Zhang, G., Dervishi, E., Mandal, R., Wishart, D.S., Ametaj, B. (2017). Metallotyping of ketotic dairy cows reveals major alterations preceding, associating, and following the disease occurrence.. Metabolomics. 13:97, 10.1007/s11306-017-1237-4
- Ryan, P.M., London, L.E., Bjorndahl, T.C., Mandal, R., Murphy, K., Fitzgerald, G.F., Shanahan, F., Ross, R.P., Wishart, D.S., Caplice, N.M., Stanton, C. (2017). Microbiome and metabolome modifying effects of several cardiovascular disease interventions in apo-E(-/-) mice.. Microbiome 5(1):30, 10.1186/s40168-017-0246-x PubMed ID: 28285599
- Hooton, K., Li, L. (2017). Nonocclusive Sweat Collection Combined with Chemical Isotope Labeling LC-MS for Human Sweat Metabolomics and Mapping the Sweat Metabolomes at Different Skin Locations.. Anal Chem. 2017 Aug 1; 89(15):7847-7851, 10.1021/acs.analchem.7b01988 PubMed ID: 28679039
- Chen, D., Han, W., Su, X., Li, L., Li, L. (2017). Overcoming Sample Matrix Effect in Quantitative Blood Metabolomics Using Chemical Isotope Labeling Liquid Chromatography Mass Spectrometry.. Anal Chem. 2017 Sep 5; 89(17):9424-31, 10.1021/acs.analchem.7b02240 PubMed ID: 28787119
- Arndt, D., Marcu, A., Liang, Y., Wishart, D.S. (2017). PHAST, PHASTER and PHASTEST: Tools for finding prophage in bacterial genomes.. Brief Bioinform, doi: 10.1093/bib/bbx121 PubMed ID: 29028989
- Han, W., Sapkota, S., Camicioli, R., Dixon, R.A., Li, L. (2017). Profiling novel metabolic biomarkers for Parkinson’s disease using in-depth metabolomic analysis.. Mov Disord. 2017 Dec; 32(12):1720-1728, 10.1002/mds.27173 PubMed ID: 28880465
- Ryan, P.M., Patterson, E., Kent, R.M., Stack, H., O’Connor, P.M., Murphy, K., Peterson, V.L., Mandal, R., Wishart, D.S., Dinan, T.G., Cryan, J.F., Seeley, R.J., Stanton, C., Ross, R.P. (2017). Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents. Sci Rep. 2017 Oct 19; 7(1):13523, 10.1038/s41598-017-14010-x PubMed ID: 29051554
- Peixoto, R.J.M., Alves, E.S., Wang, M., Ferreira, R.B.R., Granato, A., Han, J., Gill, H., Jacobson, K., Lobo, L.A., Domingues, R.M.C.P, Borchers, C.H., Davies, J.E., Finlay, B.B., Antunes, L.C.M. (2017). Repression of Salmonella host cell invasion by aromatic small molecules from the human fecal metabolome.. Appl Environ Microbiol. 2017 Jul 28. pii: AEM.01148-17, 10.1128/AEM.01148-17 PubMed ID: 28754707
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- Wilson, HJ., Palk, G., Sheehan, MC., Wishart, D., Watson, B. (2017). Steering Clear of Driving After Drinking: a Tailored e-Health Intervention for Reducing Repeat Offending and Modifying Alcohol Use in a High-Risk Cohort. Int J Behav Med, 10.1007/s12529-017-9664-1 PubMed ID: 28600704
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- Pagadala, NS., Bjorndahl, TC., Joyce, M., Wishart, DS., Syed, K., Landi, A. (2017). The compound (3-{5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazolidin-2-yl}-5,8-methoxy-2H-chromen-2-one) inhibits the prion protein conversion from PrPC to PrPSc with lower IC50 in ScN2a cells.. Bioorg Med Chem, 10.1016/j.bmc.2017.09.024 PubMed ID: 28951092
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- Macedo, A.N., Mathiaparanam, S., Brick, L., Keenan, K., Gonska, T., Pedder, L., Hill, S., Britz-McKibbin, P. (2017). The Sweat Metabolome of Screen-Positive Cystic Fibrosis Infants: Revealing Mechanisms beyond Impaired Chloride Transport.. ACS Cent Sci. 2017 Aug 23; 3(8):904-913, 10.1021/acscentsci.7b00299 PubMed ID: 28852705
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- Gruber, M.Y., Xia, J., Steppuhn, H., Wall, K., Messer, D., Sharpe, A.G., Acharya, S.N., Wishart, D.S., Johnson, D., Miller, D.R., Taheri, A. (2017). Transcript analysis in two alfalfa salt tolerance selected breeding populations relative to a non-tolerant population.. Genome 60(2):104-127, 10.1139/gen-2016-0111 PubMed ID: 28045337
- Berjanskii, MV., Wishart, DS. (2017). Unraveling the meaning of chemical shifts in protein NMR . Biochim. Biophys. Acta., 10.1016/j.bbapap.2017.07.005 PubMed ID: 28716441
- Blydt-Hansen, T.D., Sharma, A., Gibson, I.W., Wishart, D.S., Mandal, R., Ho, J., Nickerson, P., Rush, D. (2017). Urinary metabolomics for noninvasive detection of antibody-mediated rejection in children after kidney transplantation.. Transplantation. 2017 Oct; 101(10):2553-2561, 10.1097/TP.0000000000001662 PubMed ID: 28121909
- Ramirez-Gaona, M., Marcu, A., Guo, A.C., Sajed, T., Wishart, N.A., Karu, N., Djoumbou-Feunang, Y., Arndt, D., Wishart, D.S. (2017). YMDB 2.0: a significantly expanded version of the yeast metabolome database.. Nucleic Acids Res 45(D1):D440-D445, 10.1093/nar/gkw1058 PubMed ID: 27899612
2016
- Bahado-Signh, R.O., Syngelaki, A., Mandal, R., Bjondahl, T.C., Li, L., Maulik, D., Dong, H.B., Turkoglu, O., Zeb, A., Redman, M, Wishart, D.S., Nicolaides, K.H. (2016). 132: First-trimester metabolomics prediction of subsequent stillbirth . American Journal of Obstetrics & Gynecology, doi.org/10.1016/j.ajog.2015.10.168
- Li, X., Augustine, A., Sun, D., Li, L., Fliegel, L. (2016). 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., PubMed ID: 27555478
- Yu, X., Esanu, M., MacKay, S., Chen, J., Sawan, M., Wishart, D.S., Hiebert, W. (2016). 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.,
- Wishart, D.S., Mandal, R., Stanislaus, A. & Ramirez-Gaona, M. (2016). Cancer Metabolomics and the Human Metabolome Database.. Metabolites 6, 1, 10.3390/metabo6010010 PubMed ID: 26950159
- Bround, M.J., Wambolt, R., Cen, H., Asghari, P., Albu, R.F., Han, J., McAfee, D., Pourrier, M., Scott, N.E., Bohunek, L., Kulpa, J.E., Chen, S.R., Fedida, D., Brownsey, R.W., Borchers, C.H., Foster, L.J., Mayor, T., Moore, E.D., Allard, M.F., Johnson, J.D. (2016). Cardiac Ryanodine Receptor (Ryr2)-mediated Calcium Signals Specifically Promote Glucose Oxidation via Pyruvate Dehydrogenase.. J. Biol. Chem. 291(45):23490-23505, doi.org/10.1074/jbc.M116.756973 PubMed ID: 27621312
- Huan, T., Xian, J.W., Leung, W.N., Li, L., Chan, C.W. (2016). Cerebrospinal Fluid Metabolomics After Natural Product Treatment in an Experimental Model of Cerebral Ischemia.. OMICS: A Journal of Integrative Biology. 2016 Oct 12., PubMed ID: 27732148
- Allen, F., Greiner, R., Wishart, D.S. (2016). CFM-ID applied to CASMI 2014. Current Metabolomics, June 2016,
- Zhao, S., Luo, X., Li, L. (2016). Chemical Isotope Labeling LC-MS for High Coverage and Quantitative Profiling of the Hydroxyl Submetabolome in Metabolomics.. Anal Chem. 88(21):10617-10623, 10.1021/acs.analchem.6b02967 PubMed ID: 27690392
- Oliynyk, A.O., Adutwum, L.A., Harynuk, J.J., Mar, A. (2016). Classifying Crystal Structures of Binary Compounds AB through Cluster Resolution Feature Selection and Support Vector Machine Analysis.. Chem. Mater. 28(18):6672-81., PubMed ID: 19152631
- Djoumbou, Y.F., Eisner, R., Chepelev, L., Hastings, J., Owen, G., Fahy, E., Steinbeck, C., Subramanian, S., Bolton, E., Greiner, R., Wishart, D.S. (2016). ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.. J Cheminform 8:61, 10.1186/s13321-016-0174-y PubMed ID: 27867422
- Vazquez-Fresno, R., Llorach, R., Perera, A., Mandal, R., Feliz, M., Tinahones, F.J., Wishart, D.S. & Andres-Lacueva, C. (2016). Clinical phenotype clustering in cardiovascular risk patients for the identification of responsive metabotypes after red wine polyphenol intake.. J Nutr Biochem. 28, 114-120, doi.org/10.1016/j.jnutbio.2015.10.002 PubMed ID: 26878788
- 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. (2016). 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, 10.1016/j.ebiom.2016.04.025 PubMed ID: 27428442
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- de la Mata, A.P., McQueen, R.H., Harynuk, J.J. (2016). Comprehensive two-dimensional gas chromatographic profiling and chemometric interpretation of the volatile profiles of sweat in knit fabrics.. Anal Bioanal Chem., 10.1007/s00216-016-0137-1 PubMed ID: 28028595
- Allen, F., Pon, A., Greiner, R., Wishart, D.S. (2016). Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification.. Anal Chem. 88(15):7689-97., PubMed ID: 27381172
- Dias, D.A., Jones, O.A., Boughton, B.A., Benheim, D., Kouremenos, K.A., Wolfender, J.L., Wishart, D.S. (2016). Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems.. Metabolites 6(4), 10.3390/metabo6040046 PubMed ID: 27983674
- Su, X., Wang, N., Chen, D., Li, Y., Lu, Y., Huan, T., Xu, W., Li, L., Li, L. (2016). Dansylation isotope labeling liquid chromatography mass spectrometry for parallel profiling of human urinary and fecal submetabolomes.. Anal Chim Acta. 903:100-9, 10.1016/j.aca.2015.11.027 PubMed ID: 26709303
- Ho, J., Sharma, A., Mandal, R., Wishart, D.S., Wiebe, C., Storsely, L., Karpinski, M., Gibson, I.W., Nickerson, P.W., Rush, D.N. (2016). Detecting Renal Allograft Inflammation Using Quantitative Urine Metabolomics and CXCL10.. Transplant Direct 2 (6), 10.1097/TXD.0000000000000589 PubMed ID: 27500268
- Weber, B.M., Walsh, P., Harynuk, J.J. (2016). Determination of Hydrocarbon Group-Type of Diesel Fuels by Gas Chromatography with Vacuum Ultraviolet Detection.. Anal Chem. 88(11):5809-17, 10.1021/acs.analchem.6b00383 PubMed ID: 27125997
- Sobsey, C.A., Han, J., Lin, K., Swardfager, W., Levitt, A., Borchers, C.H. (2016). 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, 10.1016/j.jchromb.2016.07.013 PubMed ID: 27437618
- Shen, W., Han, W., Li, Y., Meng, Z., Cai, L., Li, L. (2016). Development of Chemical Isotope Labeling Liquid Chromatography Mass Spectrometry for Silkworm Hemolymph Metabolomics.. Anal. Chim. Acta. June, dx.doi.org/10.1016/j.aca.2016.06.004
- Achaintre, D., Buleté, A., Cren-Olivé, C., Li, L., Rinaldi, S., Scalbert, A. (2016). 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, 10.1021/acs.analchem.5b03609 PubMed ID: 26814424
- Sajed, T., Marcu, A., Ramirez, M., Pon, A., Guo, A., Knox, C., Wilson, M., Grant, J., Djoumbou, Y. & Wishart, D.S. (2016). ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli.. Nucleic Acids Res. 44, D495-D501, doi.org/10.1093/nar/gkv1060 PubMed ID: 26481353
- Wishart, D.S. (2016). Emerging applications of metabolomics in drug discovery and precision medicine.. Nat. Rev. Drug Discov. 2016, doi:10.1038/nrd.2016.32 PubMed ID: 26965202
- 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. (2016). Exome Sequencing and the Management of Neurometabolic Disorders.. N Engl J Med. 374(23): 2246-55, 10.1056/NEJMoa1515792 PubMed ID: 27276562
- 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. (2016). First-trimester metabolomics prediction of subsequent stillbirth.. Am J Obstet Gynecol. 214(1):S89 – S90,
- Bridgman, S., Koleva, P., Mandal, R., Azad, M., Field, C., Haqq, A., Becker, A., Turvey, S., Mandhane, P., Subbarao, P., Sears, M. (2016). Gut Microbiota Metabolites in Infancy: Associations with Breastfeeding and Childhood Overweight.. The FASEB Journal. 30:146-3.,
- Babicki, S., Arndt, D., Marcu, A., Liang, Y., Grant, J.R., Maciejewski, A., Wishart, D.S. (2016). Heatmapper: web-enabled heat mapping for all.. Nucleic Acids Res. 44(W1): W147-53, 10.1093/nar/gkw 419 PubMed ID: 27190236
- Luo, X., Zhao, S., Haun, T., Sun, D., Friis, R.M.N., Schultz, M.C., Li, L. (2016). 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, 10.1021/acs.jproteome.6b00070 PubMed ID: 26947805
- 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. (2016). Identification of candidate biomarkers of brain damage in a mouse model of closed head injury: a metabolomic pilot study.. Metabolomics 12:42, 10.1007/s11306-016-0957-1
- Labeeuw, L., Khey, J., Bramucci, A.R., Atwal, H., de la Mata, A.P., Harynuk, J.J., Case, R.J. (2016). Indole-3-Acetic Acid Is Produced by Emiliania huxleyi Coccolith-Bearing Cells and Triggers a Physiological Response in Bald Cells.. Front Microbiol. 7:828, 10.3389/fmicb.2016.00828 PubMed ID: 27375567
- 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. (2016). Informatics and Data Analytics to Support Exposome-Based Discovery for Public Health. Annu Rev Public Health. 38(1), 10.1146/annurev-publhealth-082516-012737 PubMed ID: 28068484
- 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. (2016). 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,
- Wishart, D.S. (2016). Introduction to Cheminformatics.. Curr Protoc Bioinformatics. 53:14.1.1-14.1.21, 10.1002/0471250953.bi1401s18 PubMed ID: 27010335
- Hsin, M.K., Zamel, R., Cypel, M., Wishart, D.S., Han, B., Keshavjee, S., Liu, M.Y. (2016). Metabolic Profile of Ex Vivo Lung Perfusate Yields Biomarkers for Lung Transplant Outcomes.. Annals of Surgery,
- 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. (2016). Metabolic signatures of Huntingtons disease (HD): (1)H NMR analysis of the polar metabolome in post-mortem human brain.. Biochim Biophys Acta. 2016 Sep; 1862(9): 1675-84, 10.1016/j.bbadis.2016.06.007 PubMed ID: 27288730
- Huan, T., Troyer, D.A., Li, L. (2016). Metabolite Analysis and Histology on the Exact Same Tissue: Comprehensive Metabolomic Profiling and Metabolic Classification of Prostate Cancer.. Sci Rep. 6:32272, 10.1038/srep32272 PubMed ID: 27578275
- 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. (2016). Metabolomic determination of pathogenesis of late-onset preeclampsia.. J Matern Fetal Neonatal Med. 28:1-7, doi.org/10.1080/14767058.2016.1185411 PubMed ID: 27569705
- Wang, X., Han, J., Yang, J., Pan, J., Borchers, C.H. (2016). Metabolomic profiling of prostate cancer by matrix assisted laser desorption/ionization-Fourier transform ion cyclotron resonance mass spectrometry imaging using Matrix Coating Assisted by an Electric Field (MCAEF).. Biochim Biophys Acta, 10.1016/j.bbapap.2016.12.012 PubMed ID: 28017863
- 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. (2016). Metabolomics enables precision medicine: A White Paper, Community Perspective.. Metabolomics. 12(10):149, 10.1007/s11306-016-1094-6 PubMed ID: 27642271
- Han, J., Yi, Y., Lin, K., Birks, S.J., Gibson, J.J., Borchers, C.H. (2016). 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, 10.1002/elps.201600250 PubMed ID: 27667503
- Venkatasubramanian, A., Sauer, V.T., Roy, S.K., Xia, M., Wishart, D.S., Hiebert, W.K. (2016). Nano-optomechanical systems for gas chromatography.. Nano Lett. 16(11): 6975-81, 10.1021/acs.nanolett.6b03066 PubMed ID: 27749074
- Wu, Y., Streijger, F., Lin G, Christie S, Mac-Thiong JM, Parent S, Bailey CS, Paquette S, Boyd MC, Ailon T, Street J, Fisher CG, Dvorak MF, Kwon BK, Li L (2016). Parallel Metabolomic Profiling of Cerebrospinal Fluid and Serum for Identifying Biomarkers of Injury Severity after Acute Human Spinal Cord Injury.. Sci Rep 6:38718, 10.1038/srep38718 PubMed ID: 27966539
- Arndt, D., Grant, J.R., Marcu, A., Sajed, T., Pon, A., Liang, Y., Wishart, D.S. (2016). PHASTER: a better, faster version of the PHAST phage search tool.. Nucleic Acids Res. 44 (W1): W16-21, PubMed ID: 27141966
- Webster, R.L., Rawson, P.M., Evans, D.J., Marriott, P.J. (2016). 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, 10.1002/jssc.201600307 PubMed ID: 27159197
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- Baker, T.C., Han, J., Borchers, C.H. (2016). Recent advancements in matrix-assisted laser desorption/ionization mass spectrometry imaging.. Curr. Opin. Biotechnol. 43:62-69, 10.1016/j.copbio.2016.09.003 PubMed ID: 27690313
- 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. (2016). Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis.. J. Proteome Res. 15(2), 360-373, 10.1021/acs.jproteome.5b00885 PubMed ID: 26745651
- 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., ODwyer, 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. (2016). Reduced Insulin Production Relieves Endoplasmic Reticulum Stress and Induces β Cell Proliferation.. Cell Metab. 2016 Jan 12; 23(1):179-93, 10.1016/j.cmet.2015.10.016 PubMed ID: 26626461
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- Bahado-Singh, R.O., Graham, S.F., Han, B., Turkoglu, O., Ziadeh, J., Mandal, R., Er, A., Wishart, D.S., Stahel, P.L. (2016). Serum metabolomic markers for traumatic brain injury: a mouse model.. Metabolomics. 12(6):1-2,
- Hermansen, P., MacKay, S., Wishart, D.S., Chen, J. (2016). 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.,
- Wohlgemuth, G., Mehta, S.S., Neumann, S., Pedrosa, D., Pluskal, T., Schymanski, E.L., Willighagen, E.L., Wilson, M., Wishart, D.S., Arita, M., Dorrestein, P.C., Bandeira, N., Wang, M., Schulze, T., Salek, R.M., Steinbeck, C., Nainala, V.C., Mistrik, R., Nishioka, T., Fiehn, O. (2016). SPLASH, a hashed identifier for mass spectra.. Nat Biotechnol 34(11):1099-1101, 10.1038/nbt.3689 PubMed ID: 27824832
- Ametaj, B.N., G. Zhang, E. Dervishi, S. M. Dunn, R. Mandal and D. S. Wishart (2016). Targeted Metabolomics Reveals multiple metabolite alterations in the urine of transition dairy cows preceding the incidence of lameness. Journal of Animal Science 94(5):72-73, 10.2527/jam2016-0150
- Markley, J.L., Brüschweiler, R., Edison, A.S., Eghbalnia, H.R., Powers, R., Raftery, D., Wishart, D.S. (2016). The future of NMR-based metabolomics.. Curr Opin Biotechnol. 43:34-40, 10.1016/j.copbio.2016.08.001 PubMed ID: 27580257
- Lee, X.Q., Sandercock, P.M.L. & Harynuk, J.J. (2016). The influence of temperature on the pyrolysis of household materials.. Anal. Appl. Pyrolysis. 118, 75-85,
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2015
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- Allen, F., Greiner, R., Wishart, D.S. (2015). Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification.. Metabolomics 11, 98-110,
- 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. (2015). Correction: Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics.. PloS One. 10, e0132873, PubMed ID: 26222058
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- 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. (2015). Defects in fatty acid amide hydrolase 2 associated with developmental and psychiatric disorders.. Mol. Genet. Metabolism. 114:355-356.,
- 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. (2015). Defects in fatty acid amide hydrolase 2 in a male with neurologic and psychiatric symptoms.. Orphanet J. Rare Dis. 10:38., PubMed ID: 25885783
- Xu, W., Chen, D., Wang, N., Zhang, T., Zhou, R., Huan, T., Lu, Y., Su, X., Xie, Q., Li, L. & Li, L. (2015). Development of High-Performance Chemical Isotope Labeling LC-MS for Profiling the Human Fecal Metabolome.. Anal. Chem. 87, 829-836, PubMed ID: 25486321
- Zhou, R., Huan, T. & Li, L. (2015). Development of versatile isotopic labeling reagents for profiling the amine submetabolome by liquid chromatography mass spectrometry.. Anal. Chim. Acta. 881, 107-116, PubMed ID: 26041526
- 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. (2015). Diet and specific microbial exposure trigger features of environmental enteropathy in a novel murine model.. Nat. Commun. 6, 7806, 10.1038/ncomms8806 PubMed ID: 26241678
- Huan, T., Wu, Y., Tang, C., Lin, G. & Li, L. (2015). DnsID in MyCompoundID for Rapid Identification of Dansylated Amine- and Phenol-Containing Metabolites in LC-MS-Based Metabolomics.. Anal. Chem. 87, 9838-9845, 10.1021/acs.analchem.5b02282 PubMed ID: 26327437
- Zhou, R. & Li, L. (2015). Effects of sample injection amount and time-of-flight mass spectrometric detection dynamic range on metabolome analysis by high-performance chemical isotope labeling LC-MS.. J. Proteomics 118, 130-139, PubMed ID: 25134441
- Yang, K., Hashemi, Z., Han, W., Jin, A., Yang, H., Ozga, J., Li, L. & Chan, C. (2015). Hydrolysis enhances bioavailability of proanthocyanidin-derived metabolites and improves β-cell function in glucose intolerant rats.. J Nutr Biochem. 26, 850-859, PubMed ID: 25987165
- Wishart, D.S. (2015). Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking.. Methods Mol. Biol. 1215:425-444, PubMed ID: 25330974
- Wishart, D.S. (2015). Is Cancer a Genetic Disease or a Metabolic Disease?. EBioMedicine 2, 478-479, PubMed ID: 26288805
- Abou El-Magd, R.M., Vozza, N.F., Tuszynski, J.A. & Wishart, D.S. (2015). Isolation of soluble scFv antibody fragments specific for small biomarker molecule, L-Carnitine, using phage display.. J. of Immunol. Methods. 428, 9-19, 10.1016/j.jim.2015.11.006 PubMed ID: 26608419
- Han, W. & Li, L. (2015). Matrix effect on chemical isotope labeling and its implication in metabolomic sample preparation for quantitative metabolomics.. Metabolomics 11(6), 1733-1742, 10.1007/s11306-015-0826-3
- Xia, J., Sinelnikov, I.V., Han, B. & Wishart, D.S. (2015). MetaboAnalyst 3.0–making metabolomics more meaningful.. Nucleic Acids Res. 43, W251-W257, PubMed ID: 25897128
- Han, J., Liu, Y., Wang, R., Yang, J., Ling, V. & Borchers, C.H. (2015). 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, PubMed ID: 25496250
- Fatima, T., Kesari, V., Watt, I., Wishart, D.S., Todd, J.F., Schroeder, W.R., Paliyath, G., Krishna, P. (2015). 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, PubMed ID: 26318327
- Hagel, J.M., Mandal, R., Han, B., Han, J., Dinsmore, D.R., Borchers, C.H., Wishart, D.S. & Facchini, P.J. (2015). Metabolome analysis of 20 taxonomically related benzylisoquinoline alkaloid-producing plants.. BMC Plant Biol. 15:220, PubMed ID: 26369413
- Zordoky, B.N., Sung, M.M., Ezekowitz, J., Mandal, R., Han, B., Bjorndahl, T.C., Bouatra, S., Anderson, T., Oudit, G.Y., Wishart, D.S. & Dyck, J.R. (2015). Metabolomic Fingerprint of Heart Failure with Preserved Ejection Fraction.. PLoS One. 10, e0124844, 10.1371/journal.pone.0124844 PubMed ID: 26010610
- Huan, T., Tang, C., Li, R., Shi, Y., Lin, G., Li, L. (2015). 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, 10.1021/acs.analchem.5b03126 PubMed ID: 26415007
- Li, Z., Tatlay, J., Li, L. (2015). Nanoflow LC-MS for High-Performance Chemical Isotope Labeling Quantitative Metabolomics.. Anal Chem. 2015 87(22): 11468-74, 10.1021/acs.analchem.5b03209 PubMed ID: 26482335
- Gutmanas, A., Adams, P.D., Bardiaux, B., Berman, H.M., Case, D.A., Fogh, R.H., Gantert, P.,Hendrickx, P.M., Herrmann, T., Kleywegt, G.J., Kobayashi, N., Lange, O.F., Markley, J.L., Montelione, G.T., Nilges, M., Ragan, T.J., Schwieters, C.D., Tejero, R., Ulrich, E.L., Velankar, S., Vranken, W.F., Wedell, J.R., Westbrook, J., Wishart, D.S., Vuister, G.W. (2015). NMR Exchange Format: a unified and open standard for representation of NMR restraint data. Nat Struct Mol Biol 22(6), 10.1038/nsmb.3041 PubMed ID: 26036565
- Pon, A., Jewison, T., Su, Y., Liang, Y., Knox, C., Maciejewski, A., Wilson, M. & Wishart, D.S. (2015). Pathways with PathWhiz.. Nucleic Acids Res. 43, W552-W559, PubMed ID: 25934797
- Liu, Y., Liang, Y. & Wishart, D.S. (2015). 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, PubMed ID: 25925572
- Huan, T. & Li, L. (2015). Quantitative Metabolome Analysis Based on Chromatographic Peak Reconstruction in Chemical Isotope Labeling Liquid Chromatography Mass Spectrometry.. Anal. Chem. 87, 7011-7016, PubMed ID: 26086729
- Huang, W., Blinov, N., Wishart, D.S., Kovalenko, A. (2015). 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, PubMed ID: 25545470
- 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. (2015). Sildenafil Therapy Normalizes the Aberrant Metabolomic Profile in the Comt(-/-) Mouse Model of Preeclampsia/Fetal Growth Restriction.. Sci. Rep. 5, 18241, doi.org/10.1038/srep18241 PubMed ID: 26667607
- MacKay, S., Hermansen, P., Wishart, D.S., Chen, J. (2015). Simulations of Interdigitated Electrode Interactions with Gold Nanoparticles for Impedance-Based Biosensing Applications.. Sensors (Basel). 15(9):22192-208, PubMed ID: 26364638
- 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. (2015). 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, 10.1007/s11306-014-0746-7 PubMed ID: 26109927
- 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. (2015). T3DB: the toxic exposome database.. Nucleic Acids Res. 43, D928-D934, PubMed ID: 25378312
- 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. (2015). The effect of haemolysis on the metabolomic profile of umbilical cord blood.. Clin Biochem. 48(7-8):534-7, 10.1016/j.clinbiochem.2015.02.004 PubMed ID: 25697106
- 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. (2015). The Human Saliva Metabolome. Metabolomics 11:1864-1883,
- Silva, A.C., Ebrahimi-Najafadabi, H., McGinitie, T.M., Casilli, A., Pereira, H.M., Aquino Neto, F.R. & Harynuk, J.J. (2015). Thermodynamic-based retention time predictions of endogenous steroids in comprehensive two-dimensional gas chromatography.. Anal Bioanal Chem. 407, 4091-4099, PubMed ID: 25845527
- 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. (2015). Validation of metabolomic models for prediction of early-onset preeclampsia.. Am J Obstet Gynecol. 213, 530.e1-530.e10, PubMed ID: 26116099
2014
- McGinitie, T.M., Ebrahimi-Najafabadi, H., Harynuk, J.J. (2014). A standardized method for the calibration of thermodynamic data for use in the prediction of gas chromatographic retention times.. J. Chromatogr. A. 1330 69-76, PubMed ID: 24484693
- McQueen, R.H., Harynuk, J.J., Wismer, W.V., Keelan, M., Xu, Y., de la Mata, A.P. (2014). Axillary odour build-up in knit fabrics following multiple use cycles.. Int J Cloth Sci Tech. 26, 274-290,
- Nayidu, N.K., Tan, Y., Taheri, A., Li, X., Bjorndahl, T.C., Nowak, J., Wishart, D.S., Hegedus, D., Gruber, M.Y. (2014). Brassica villosa, a system for studying non-glandular trichomes and genes in the Brassicas.. Plant Mol Biol. 85(4-5):519-39, PubMed ID: 24831512
- Allen, F., Pon, A., Wilson, M., Greiner R., Wishart, D.S. (2014). CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra.. Nucleic Acids Res. 42(Web Server issue):W94-9, PubMed ID: 24895432
- Li, Z and Li, L. (2014). Chemical-vapor-assisted Electrospray Ionization for Increasing Analyte Signals in ESI Mass Spectrometry.. Anal. Chem. 86, 331-335, PubMed ID: 24364716
- Sinkov, N.A., Sandercock, P.M.L., Harynuk, J.J. (2014). Chemometric classification of casework arson samples based on gasoline content.. Forensic Sci Int. 235 24-31., PubMed ID: 24447448
- Wang, X., Han, J., Pan, J., Borchers, C.H. (2014). Comprehensive imaging of porcine adrenal gland lipids by MALDI-FTMS using quercetin as a matrix.. Anal Chem. 86, 638-46, PubMed ID: 24341451
- Wu, Y. & Li, L. (2014). Dansylation Metabolite Assay: A Simple and Rapid Method for Sample Amount Normalization in Metabolomics.. Anal. Chem. 86, 9428-9433, PubMed ID: 25215550
- MacKay, S., Wishart, D.S., Xing, J.Z., Chen, J. (2014). Developing trends in aptamer-based biosensor devices and their applications.. IEEE Trans Biomed Circuits Syst. 8(1):4-14, PubMed ID: 24681915
- Peng, J., Chen, Y., Chen, C. & Li, L. (2014). Development of a Universal Metabolome-Standard Method for Long-Term LC-MS Metabolome Profiling and Its Application for Bladder Cancer Urine-Metabolite-Biomarker Discovery.. Anal. Chem. 86, 6540-7, PubMed ID: 24877652
- Peng, J., Guo, K., Xia, J., Zhou, J., Yang, J., Westaway, D., Wishart, D.S. & Li, L. (2014). Development of Isotope Labeling Liquid Chromatography Mass Spectrometry for Mouse Urine Metabolomics: Quantitative Metabolomic Study of Transgenic Mice Related to Alzheimer’s Disease.. J. Proteome Res. 13, 4457-4469, PubMed ID: 25164377
- Law, V., Knox, C., Djoumbou, Y., Jewison, T., Guo, A.C., Liu, Y., Maciejewski, A., Arndt, D., Wilson, M., Neveu, V., Tang, A., Gabriel, G., Ly, C., Adamjee, S., Dame, Z.T., Han, B., Zhou, Y., Wishart, D.S. (2014). DrugBank 4.0: shedding new light on drug metabolism.. Nucleic Acids Res. 42, D1091-7, PubMed ID: 24203711
- Chen, J., Subramaniam, S., Wishart, D.S., Wong, S. (2014). Guest Editorial- special issue on ‘-omics’ based companion diagnostics for personalized medicine.. IEEE Trans. Biomed. Circuits Syst. 8(1):1-3., PubMed ID: 24809069
- Sulek, K., Han, T.L., Villas-Boas, S.G., Wishart, D.S., Soh, S.E., Kwek, K., Gluckman, P.D., Chong, Y.S., Kenny, L.C. Baker, P.N. (2014). Hair Metabolomics: Identification of Fetal Compromise Provides Proof of Concept for Biomarker Discovery.. Theranostics 4, 953-959, PubMed ID: 25057319
- Tseng, C., and Li, L. (2014). High-Performance Isotope-Labeling Liquid Chromatography Mass Spectrometry for Investigating the Effect of Drinking Goji Tea on Urine Metabolome Profiling.. Science China Chemistry 57, 678-685,
- Hailemariam, D., Mandal, R., Saleem, F., Dunn, S.M., Wishart, D.S., Ametaj, B.N. (2014). Identification of predictive biomarkers of disease state in transition dairy cows.. J Dairy Sci. 97, 2680-93, PubMed ID: 24630653
- Zhou, R., Tseng, C., Huan, T., Li, L. (2014). IsoMS: Automated Processing of LC-MS Data Generated by a Chemical Isotope Labeling Metabolomics Platform.. Anal. Chem. 86, 4675-4679, PubMed ID: 24766305
- Ichu, T.A., Han, J., Borchers, C.H., Lesperance, M., Helbing, C.C. (2014). Metabolomic insights into system-wide coordination of vertebrate metamorphosis.. BMC Dev Biol. 14, 5., PubMed ID: 24495308
- Bahado-Singh, R.O., Ertl, R., Mandal, R., Bjorndahl, T.C., Syngelaki, A., Han, B., Dong, E., Liu, P.B., Alpay-Savasan, Z., Wishart, D.S., Nicolaides, K.H. (2014). Metabolomic Prediction of Fetal Congenital Heart Defect in the First Trimester.. Am J Obstet Gynecol. 211, 240.e1-240.e14, PubMed ID: 24704061
- Peng, J., St. Laurent, C.D., Befus, A.D., Zhou, R., Li, L. (2014). Metabolomic Profiling of Bronchoalveolar Lavage Fluids by Isotope Labeling Liquid Chromatography Mass Spectrometry: a Promising Approach to Studying Experimental Asthma.. Metabolomics 10:1305- 1317,
- Mattos, K.A., Oliveira, V.C., Berrêdo-Pinho, M., Amaral, J.J., Antunes, L.C., Melo, R.C., Acosta, C.C., Moura, D.F., Olmo, R., Han, J., Rosa, P.S., Almeida, P.E., Finlay, B.B., Borchers, C.H., Sarno, E.N., Bozza, P.T., Atella, G.C., Pessolani, M.C. (2014). Mycobacterium leprae intracellular survival relies on cholesterol accumulation in infected macrophages: a potential target for new drugs for leprosy treatment.. Cell Microbiol. 16, 797-815, PubMed ID: 24552180
- Tang, Y., Li, R., Lin, G., Li, L. (2014). PEP Search in MyCompoundID: Detection and Identification of Dipeptides and Tripeptides Using Dimethyl Labeling and Hydrophilic Interaction Liquid Chromatography Tandem Mass Spectrometry.. Anal. Chem. 86, 3568-3574, PubMed ID: 24635831
- Zhou, R and Li, L. (2014). Quantitative Metabolome Profiling Using Dansylation Isotope Labeling and LC-MS. Methods Mol Biol. 1198:127-36, PubMed ID: 25270927
- McGinitie, T.M., Ebrahimi-Najafabadi, H., Harynuk, J.J. (2014). Rapid determination of thermodynamic parameters from one-dimensional programmed-temperature gas chromatography for use in retention time prediction in comprehensive multidimensional chromatography.. J. Chromatogr. A. 1325 201-212., PubMed ID: 24377740
- Friis, R.M.N., Glaves, J.P., Huan, T., Li, L., Sykes, B.D., Schultz, M.C. (2014). Rewiring AMPK and mitochondrial retrograde signaling for metabolic control of aging and histone acetylation in respiratory-defective cells.. Cell Rep. 7, 565-574, PubMed ID: 24726357
- Jewison, T., Su, Y., Disfany, F.M., Liang, Y., Knox, C., Maciejewski, A., Poelzer, J., Huynh, J., Zhou, Y., Arndt, D., Djoumbou, Y., Liu, Y., Deng, L., Guo, A.C., Han, B., Pon, A., Wilson, M., Rafatnia, S., Liu, P., Wishart, D.S. (2014). SMPDB 2.0: big improvements to the Small Molecule Pathway Database.. Nucleic Acids Res. 42, D478-D484, PubMed ID: 24203708
- Rappaport, S.M., Barupal, D.K., Wishart, D.S., Vineis, P. & Scalbert, A. (2014). The Blood Exposome and Its Role in Discovering Causes of Disease.. Environ Health Perspect. 122(8):769-74, PubMed ID: 24659601
- Scalbert, A., Brennan, L., Manach, C., Andres-Lacueva, C., Dragsted, L.O., Draper, J., Rappaport, S.M., van der Hooft, J.J., Wishart, D.S. (2014). The food metabolome: a window over dietary exposure.. Am J Clin Nutr. 99, 1286-1308, PubMed ID: 24760973
- Su, L.J., Fiehn, O., Maruvada, P., Moore, S.C., O Keefe, S.J., Wishart, D.S. & Zanetti, K.A. (2014). The Use of Metabolomics in Population-Based Research.. Adv Nutr. 5, 785-788, PubMed ID: 25398741
- Adutwum, L.A., Harynuk, J.J. (2014). Unique Ion Filter: A Data Reduction Tool for GC/MS Data Preprocessing Prior to Chemometric Analysis.. Anal. Chem. 86, 7726-7733, PubMed ID: 25002039
- Blydt-Hansen, T.D., Sharma, A., Gibson, I.W., Mandal, R., Wishart, D.S. (2014). Urinary Metabolomics for Noninvasive Detection of Borderline and Acute T Cell-Mediated Rejection in Children After Kidney Transplantation.. Am J Transplant. 14, 2339-2349, PubMed ID: 25138024
2013
- Han, J., Tschernutter, V., Yang, J., Eckle, T., Borchers, C.H. (2013). Analysis of selected sugars and sugar phosphates in mouse heart tissue by reductive amination and liquid chromatography-electrospray ionization mass spectrometry.. Anal Chem. 85(12), 5965-73, PubMed ID: 23682691
- Headley, J.V., Peru, K.M., Mohamed, M.H., Frank, R.A., Martin, J.W., Hazewinkel, R.R., Humphries, D., Gurprasad, N.P., Hewitt, L.M., Muir, D.C., Lindeman, D., Strub, R., Young, R.F., Grewer, D.M., Whittal, R.M., Fedorak, P.M., Birkholz, D.A., Hindle, R., Reisdorph, R., Wang, X., Kasperski, K.L., Hamilton, C., Woudneh, M., Wang, G., Loescher, B., Farwell, A., Dixon, D.G., Ross, M., Pereira Ados, S., King, E., Barrow, M.P., Fahlman, B., Bailey, J., McMartin, D.W., Borchers, C.H., Ryan, C.H., Toor, N.S., Gillis, H.M., Zuin, L., Bickerton, G., McMaster, M., Sverko, E., Shang, D., Wilson, L.D., Wrona, F.J. (2013). Chemical fingerprinting of naphthenic acids and oil sands process waters-A review of analytical methods for environmental samples.. J Environ Sci Health A Tox Hazard Subst Environ Eng. 48(10), 1145-63., PubMed ID: 23647107
- Wu, G., Zhang, L., Li, T., Zuniga, A., Lopaschuk, G.D., Li, L., Jacobs, R.L. & Vance, D.E. (2013). Choline supplementation promotes hepatic insulin resistance in phosphatidylethanolamine N-methyltransferase-deficient mice via increased glucagon action.. J Biol Chem 288, 837-847, PubMed ID: 23179947
- Nyakas, A., Han, J., Peru, K.M., Headley, J.V., Borchers, C.H. (2013). Comprehensive analysis of oil sands processed water by direct-infusion Fourier-transform ion cyclotron resonance mass spectrometry with and without offline UHPLC sample prefractionation.. Environ Sci Technol. 47(9):4471-9., PubMed ID: 23566025
- Murray, K.K., Boyd, R.K., Eberlin, M.N., Langley, G.H., Li, L., and Naito, Y. (2013). Definitions of Terms Relating to Mass Spectrometry (IUPAC Recommendations 2013).. Pure Appl. Chem. 85,
- Wu, Y., and Li, L. (2013). Development of Isotope Labeling LC-MS for Metabolic Profiling of Bacterial Cells and Its Application for Bacterial Differentiation.. Anal. Chem. 85, 5755-5763, PubMed ID: 23495969
- Canam, T., Li, X., Holowachuk, J., Yu, M., Xia, J., Mandal, R., Krishnamurthy, R., Bouatra, S., Sinelnikov, I., Yu, B., Grenkow, L., Wishart, D. S., Steppuhn, H., Falk, K.C., Dumonceaux, T.J. & Gruber, M.Y. (2013). Differential metabolite profiles and salinity tolerance between two genetically related brown-seeded and yellow-seeded Brassica carinata lines.. Plant Sci 198, 17-26, PubMed ID: 23199683
- Le, C.H., Han, J., Borchers, C.H. (2013). Dithranol as a matrix for matrix assisted laser desorption/ionization imaging on a fourier transform ion cyclotron resonance mass spectrometer.. J Vis Exp. 81, e50733., PubMed ID: 24300588
- Guo, A.C., Jewison, T., Wilson, M., Liu, Y., Knox, C., Djoumbou, Y., Lo, P., Mandal, R., Krishnamurthy, R. & Wishart, D.S. (2013). ECMDB: the E. coli Metabolome Database.. Nucleic Acids Res 41, D625-D630, PubMed ID: 23109553
- Mane, J.Y., Semenchenko, V., Perez-Pineiro, R., Winter, P., Wishart, D.S., Tuszynski, J.A. (2013). Experimental and Computational Study of the Interaction of Novel Colchicinoids with a Recombinant Human αI/βI-Tubulin Heterodimer.. Chem. Biol. Drug Des. 82(1):60-70, 10.1111/cbdd.12132 PubMed ID: 23480279
- Wishart, D.S. (2013). Exploring the Human Metabolome by NMR Spectroscopy & Mass Spectroscopy.. Methodologies for Metabolomics: Experimental Strategies and Techniques; Cambridge University; ISBN: 9780521765909,
- Bahado-Singh, R.O., Akolekar, R., Mandal, R., Dong, E., Xia, J., Kruger, M., Wishart, D.S. & Nicolaides, K. (2013). First-trimester metabolomic detection of late-onset preeclampsia.. Am J Obstet Gynecol 208, 58.e1-7, PubMed ID: 23159745
- Weber, B.M., Harynuk, J.J. (2013). Gas chromatographic retention of alkyl phosphates on ionic liquid stationary phases.. J Chromatogr A. 1271(1), 170-5, PubMed ID: 23237714
- Eckle, T., Brodsky, K., Bonney, M., Packard, T., Han, J., Borchers, C.H., Mariani, T.J., Kominsky, D.J., Mittelbronn, M., Eltzschig, H.K. (2013). HIF1A reduces acute lung injury by optimizing carbohydrate metabolism in the alveolar epithelium.. PLoS Biol. (9):e1001665, PubMed ID: 24086109
- Wishart, D.S., Jewison, T., Guo, A.C., Wilson, M., Knox, C., Liu, Y., Djoumbou, Y., Mandal, R., Aziat, F., Dong, E., Bouatra, S., Sinelnikov, I., Arndt, D., Xia, J., Liu, P., Yallou, F., Bjorndahl, T., Perez-Pineiro, R., Eisner, R., Allen, F., Neveu, V., Greiner, R. & Scalbert, A. (2013). HMDB 3.0–The Human Metabolome Database in 2013.. Nucleic Acids Res 41, D801-D807, PubMed ID: 23161693
- Wang, X., Han, J., Chou, A., Yang, J., Pan, J., Borchers, C.H. (2013). Hydroxyflavones as a new family of matrices for MALDI tissue imaging.. Anal Chem. 85(15):7566-73., PubMed ID: 23895229
- Xia, J., Fjell, C.D., Mayer, M.L., Pena, O.M., Wishart, D.S., Hancock, R.E. (2013). INMEX–a web-based tool for integrative meta-analysis of expression data.. Nucleic Acids Res. 41(W1), W63-W70, PubMed ID: 23766290
- Li, L. (2013). MALDI Mass Spectrometry for Polymer Characterization. “A Practical Guide to MALDI MS, 2nd Edition”, F. Hillenkam, Ed., Wiley-VCH, Germany,
- Antunes, L.C., Han, J., Pan, J., Moreira, C.J., Azambuja, P., Borchers, C.H., Carels, N. (2013). Metabolic signatures of triatomine vectors of Trypanosoma cruzi unveiled by metabolomics.. PLoS One. 8(10):e77283., PubMed ID: 24204787
- Bahado-Singh, R.O., Akolekar, R., Mandal, R., Dong, E., Xia, J., Kruger, M., Wishart, D.S. & Nicolaides, K. (2013). Metabolomic analysis for first-trimester Down syndrome prediction.. Am J Obstet Gynecol. 208(5):371.e1-8, PubMed ID: 23313728
- Bahado-Singh, R.O., Akolekar, R., Chelliah, A., Mandal, R., Dong, E., Kruger, M., Wishart, D.S., Nicolaides, K. (2013). Metabolomic analysis for first-trimester trisomy 18 detection.. Am J Obstet Gynecol. 209(1):65.e1-9, PubMed ID: 23535240
- Ghobakhlou, A., Laberge, S., Antoun, H., Wishart, D.S., Xia, J., Krishnamurthy, R., Mandal, R. (2013). Metabolomic analysis of cold acclimation of Arctic Mesorhizobium sp. strain N33.. PLoS One. 8, e84801, PubMed ID: 24386418
- Han, J., Gagnon, S., Eckle, T., Borchers, C.H. (2013). Metabolomic analysis of key central carbon metabolism carboxylic acids as their 3-nitrophenylhydrazones by UPLC/ESI-MS.. Electrophoresis. 34(19):2891-900., PubMed ID: 23580203
- Amaral, J.J., Antunes, L.C., de Macedo, C.S., Mattos, K.A., Han, J., Pan, J., Candéa, A.L., Henriques, Md., Ribeiro-Alves, M., Borchers, C.H., Sarno, E.N., Bozza, P.T., Finlay, B.B., Pessolani, M.C. (2013). Metabonomics reveals drastic changes in anti-inflammatory/pro-resolving polyunsaturated fatty acids-derived lipid mediators in leprosy disease.. PLoS Negl Trop Dis. 7(8):e2381., PubMed ID: 23967366
- Pagadala, N.S., Bjorndahl, T.C., Blinov, N., Kovalenko, A., Wishart, D.S. (2013). Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins.. J. Mol. Model. 19(12):5225-5235, PubMed ID: 24126825
- Li, L., Li, R., Zhou, J., Zuniga, A., Stanislaus, A.E., Wu, Y., Huan, T., Zheng, J., Shi, Y., Wishart, D.S. & Lin, G. (2013). MyCompoundID: Using an Evidence-based Metabolome Library for Metabolite Identification.. Anal Chem. 85(6):3401-8, PubMed ID: 23373753
- Rothwell, J.A., Perez-Jimenez, J., Neveu, V., Medina-Remón, A., M hiri, N., García-Lobato, P., Manach, C., Knox, C., Eisner, R., Wishart, D.S., Scalbert, A. (2013). Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content.. Database (Oxford) 2013, bat070-bat070, PubMed ID: 24103452
- Jordheim, L.P., Barakat, K.H., Heinrich-Balard, L., Matera, E.L., Cros-Perrial, E., Bouledrak, K., El Sabeh, R., Perez-Pineiro, R., Wishart, D.S., Cohen, R., Tuszynski, J., Dumontet, C. (2013). Small Molecule Inhibitors of ERCC1-XPF Protein-Protein Interaction Synergize Alkylating Agents in Cancer Cells.. Mol Pharmacol. 84(1), 12-24, PubMed ID: 23580445
- Saleem, F., Bouatra, S., Guo, A.C., Psychogios, N, Mandal, R., Dunn, S.M., Ametaj, B.N. and Wishart, D.S. (2013). The Bovine Ruminal Fluid Metabolome.. Metabolomics 9, 360-378,
- Bouatra, S., Aziat, F., Mandal, R., Guo, A.C., Wilson, M.R., Knox, C., Bjorndahl, T.C., Krishnamurthy, R., Saleem, F., Liu, P., Dame, Z.T., Poelzer, J., Huynh, J., Yallou, F.S., Psychogios, N., Dong, E., Bogumil, R., Roehring, C., Wishart, D.S. (2013). The human urine metabolome.. PLoS One. 8(9):e73076, PubMed ID: 24023812
- Sinkov, N.A., Harynuk, J.J. (2013). Three-dimensional cluster resolution for guiding automatic chemometric model optimization.. Talanta. 103:252-9, PubMed ID: 23200385
- Xia, J., Broadhurst, D.I., Wilson, M., Wishart, D.S. (2013). Translational biomarker discovery in clinical metabolomics: an introductory tutorial.. Metabolomics. 9(2), 280-299, PubMed ID: 23543913
2012
- Wishart, D.S. (2012). “DrugBank” in Principles of Pharmacogenetics and Pharmacogenomics.. (eds. R.B. Altman, D. Flockhart, D.B. Goldstein), Cambridge University Press, Cambridge UK, pp. 55-66,
- Nikolic, D., Blinov, N., Wishart, D.S., Kovalenko, A. (2012). 3D-RISM-Dock: A New Fragment-Based Drug Design Protocol.. J. Chem. Theory and Comput. 8: 3356-3372, PubMed ID: 26605742
- Saleem, F., Ametaj, B.N., Bouatra, S., Mandal, R., Zebeli, Q., Dunn, S.M. & Wishart, D.S. (2012). A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows.. J Dairy Sci 95, 6606-6623, PubMed ID: 22959937
- Eckle, T., Hartmann, K., Bonney, S., Reithel, S., Mittelbronn, M., Walker, L.A., Lowes, B.D., Han, J., Borchers, C.H., Buttrick, P.M., Kominsky, D.J., Colgan, S.P. & Eltzschig, H.K. (2012). Adora2b-elicited Per2 stabilization promotes a HIF-dependent metabolic switch crucial for myocardial adaptation to ischemia.. Nat Med 18, 774-782, PubMed ID: 22504483
- Wu, Y. & Li, L. (2012). Determination of total concentration of chemically labeled metabolites as a means of metabolome sample normalization and sample loading optimization in mass spectrometry-based metabolomics.. Anal Chem 84, 10723-10731, PubMed ID: 23190334
- Chen, Y.T., Wang, F.S., Li, Z., Li, L. & Ling, Y.C. (2012). Development of a matrix-assisted laser desorption ionization mass spectrometric method for rapid process-monitoring of phthalocyanine compounds.. Anal Chim Acta 736, 69-77, PubMed ID: 22769007
- Stanislaus, A., Guo, K. & Li, L. (2012). Development of an isotope labeling ultra-high performance liquid chromatography mass spectrometric method for quantification of acylglycines in human urine.. Anal Chim Acta 750, 161-172, PubMed ID: 23062437
- Hall, L.M., Hall, L.H., Kertesz, T.M., Hill, D.W., Sharp, T.R., Oblak, E.Z., Dong, Y.W., Wishart, D.S., Chen, M.H. & Grant, D.F. (2012). Development of Ecom(5)(0) and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry.. J Chem Inf Model 52, 1222-1237, PubMed ID: 22489687
- Zheng, J., Dixon, R.A. & Li, L. (2012). Development of isotope labeling LC-MS for human salivary metabolomics and application to profiling metabolome changes associated with mild cognitive impairment.. Anal Chem 84, 10802-10811, PubMed ID: 23150892
- Friesen, D.E., Barakat, K.H., Semenchenko, V., Perez-Pineiro, R., Fenske, B.W., Mane, J., Wishart, D.S. and Tuszynski, J.A. (2012). Discovery of Small Molecule Inhibitors that Interact with γ-Tubulin.. Chem. Biol. Drug Des. 79:639-652, PubMed ID: 22268380
- Le, C.H., Han, J. & Borchers, C.H. (2012). Dithranol as a MALDI matrix for tissue imaging of lipids by Fourier transform ion cyclotron resonance mass spectrometry.. Anal Chem 84, 8391-8398, PubMed ID: 22931516
- Fatima, T., Snyder, C.L., Schroeder, W.R., Cram, D., Datla, R., Wishart, D.S., Weselake, R.J. & Krishna, P. (2012). Fatty acid composition of developing sea buckthorn (Hippophae rhamnoides L.) berry and the transcriptome of the mature seed.. PLoS One 7, e34099, PubMed ID: 22558083
- Zheng, J.M. & Li, L. (2012). Fragmentation of Protonated Dansyl-labeled Amines for Structural Analysis of Amine-containing Metabolites.. Int J Mass Spectrom. 316–318, 292–299,
- Xia, J., Mandal, R., Sinelnikov, I.V., Broadhurst, D. & Wishart, D.S. (2012). MetaboAnalyst 2.0–a comprehensive server for metabolomic data analysis.. Nucleic Acids Res 40, W127-W133, PubMed ID: 22553367
- Bahado-Singh, R. O., Akolekar, R., Mandal, R., Dong, E., Xia, J., Kruger, M., Wishart, D. S. & Nicolaides, K. (2012). Metabolomics and first-trimester prediction of early-onset preeclampsia.. J Matern Fetal Neonatal Med 25, 1840-1847, PubMed ID: 22494326
- Arndt, D., Xia, J., Liu, Y., Zhou, Y., Guo, A.C., Cruz, J.A., Sinelnikov, I., Budwill, K., Nesbø, C.L. and Wishart, D.S. (2012). METAGENassist: a comprehensive web server for comparative metagenomics.. Nucleic Acids Res. 40:W88-W95, PubMed ID: 22645318
- Mandal, R., Guo, A.C., Chaudhary, K.K., Liu, P., Yallou, F.S., Dong, E., Aziat, F. & Wishart, D.S. (2012). Multi-platform characterization of the human cerebrospinal fluid metabolome: a comprehensive and quantitative update.. Genome Med 4, 38, PubMed ID: 22546835
- Rush, D., Mandal, R., Wishart, D., Wiebe, C., Ho, J., Storsely, L., Karpinski, M, Gibson, I., Nickerson, P. (2012). Non‐Invasive Diagnosis of Renal Allograft Inflammation Using Quantitative Urine Metabolomics.. Transplantation 94, 1186,
- Rothwell, J.A., Urpi-Sarda, M., Boto-Ordonez, M., Knox, C., Llorach, R., Eisner, R., Cruz, J., Neveu, V., Wishart, D.S., Manach, C., Andres-Lacueva, C. & Scalbert, A. (2012). Phenol-Explorer 2.0: a major update of the Phenol-Explorer database integrating data on polyphenol metabolism and pharmacokinetics in humans and experimental animals.. Database (Oxford) 2012, bas031, PubMed ID: 22879444
- Stretch, C., Eastman, T., Mandal, R., Eisner, R., Wishart, D.S., Mourtzakis, M., Prado, C.M., Damaraju, S., Ball, R.O., Greiner, R. & Baracos, V.E. (2012). Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach.. J Nutr 142, 14-21, PubMed ID: 22157537
- Mandal, R., Kathiria, P., Psychogios, N., Bouatra, S. Krishnamurthy, R. Wishart, D.S. and Kovalchuk, I. (2012). Progeny of tobacco mosaic virus-infected Nicotiana tabacum plants exhibit trans-generational changes in metabolic profiles.. Biocatalysis and Agricultural Biotechnology 1, 115-123,
- Han, J., Kalyan, S., Prior, JC., Borchers, C. H. (2012). Quantitation of Urinary 6βhydroxycortisol and Free Cortisol by Ultra-Performance Liquid Chromatography-Quadrupole Time-of-Flight Mass Spectrometry.. Clinical and Experimental Pharmacology 01,
- Antunes, L.C., Wang, M., Andersen, S.K., Ferreira, R.B., Kappelhoff, R., Han, J., Borchers, C.H. & Finlay, B.B. (2012). Repression of Salmonella enterica phoP expression by small molecules from physiological bile.. J Bacteriol 194, 2286-2296, PubMed ID: 22366421
- 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., Piparo, E.L., Southan, C., Steinbeck, C., Wishart, D.S., Hermjakob, H., Overington, J. and Thornton, J. (2012). Shouldnt enantiomeric purity be included in the minimum information about a bioactive entity?. Response from the MIABE group. Nat. Rev. Drug Discov. 11(9):730, PubMed ID: 22935805
- Wishart, D.S. (2012). Small molecules and disease.. PLoS Comput Biol. 8(12):e1002805, PubMed ID: 23300405
- Wishart, D.S. (2012). Systems Biology Resource Arising from the Human Metabolome Project.. Genetics Meets Metabolomics (ed. K. Suhre). Springer New York, NY. 157-175,
- Walsh, B.H., Broadhurst, D.I., Mandal, R., Wishart, D.S., Boylan, G.B., Kenny, L.C. & Murray, D.M. (2012). The metabolomic profile of umbilical cord blood in neonatal hypoxic ischaemic encephalopathy.. PLoS One 7, e50520, PubMed ID: 23227182
- Barakat, K.H., Jordheim, L.P., Perez-Pineiro, R., Wishart, D.S., Dumontet, C. and Tuszynski, J.A. (2012). Virtual Screening and Biological Evaluation of Inhibitors Targeting the XPA-ERCC1 Interaction.. PLoS One. 7(12):e51329, PubMed ID: 23272099
- Jewison, T., Knox, C., Neveu, V., Djoumbou, Y., Guo, A.C., Lee, J., Liu, P., Mandal, R., Krishnamurthy, R., Sinelnikov, I., Wilson, M. & Wishart, D.S. (2012). YMDB: the Yeast Metabolome Database.. Nucleic Acids Res 40, D815-D820, PubMed ID: 22064855
2011
- Wishart, D.S. (2011). Advances in metabolite identification.. Bioanalysis 3, 1769-1782, PubMed ID: 21827274
- Scalbert, A., Andres-Lacueva, C., Arita, M., Kroon, P., Manach, C., Urpi-Sarda, M. & Wishart, D. (2011). Databases on food phytochemicals and their health-promoting effects.. J Agric Food Chem 59, 4331-4348, PubMed ID: 21438636
- 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. (2011). DrugBank 3.0: a comprehensive resource for ‘omics’ research on drugs.. Nucleic Acids Res 39, D1035-D1041, PubMed ID: 21059682
- 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. (2011). Impact of Salmonella infection on host hormone metabolism revealed by metabolomics.. Infect Immun 79, 1759-1769, PubMed ID: 21321075
- Guo, K., Peng, J., Zhou, R. & Li, L. (2011). Ion-pairing reversed-phase liquid chromatography fractionation in combination with isotope labeling reversed-phase liquid chromatography-mass spectrometry for comprehensive metabolome profiling.. J Chromatogr A 1218, 3689-3694, PubMed ID: 21543078
- Eisner, R., Stretch, C., Eastman, T., Xia, J. Hau, D., Damaraju, S., Greiner, R., Wishart, D., Baracos, V. (2011). Learning to predict cancer-associated skeletal muscle wasting from 1H-NMR profiles of urinary metabolites.. Metabolomics 7, 25–34,
- Xia, J. & Wishart, D.S. (2011). Metabolomic data processing, analysis, and interpretation using MetaboAnalyst.. Curr Protoc Bioinformatics Chapter 14, Unit 14.10, PubMed ID: 21633943
- Hall, R.D., Wishart, D.S. and Roessner, U. (2011). Metabolomics and the move towards biology.. Metabolomics 7, 454-456,
- Antunes, L.C., Andersen, S.K., Menendez, A., Arena, E.T., Han, J., Ferreira, R.B., Borchers, C.H. & Finlay, B.B. (2011). Metabolomics reveals phospholipids as important nutrient sources during Salmonella growth in bile in vitro and in vivo.. J Bacteriol 193, 4719-4725, PubMed ID: 21764918
- Xia, J., Sinelnikov, I.V. & Wishart, D.S. (2011). MetATT: a web-based metabolomics tool for analyzing time-series and two-factor datasets.. Bioinformatics 27, 2455-2456, PubMed ID: 21712247
- 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. (2011). Minimum information about a bioactive entity (MIABE).. Nat Rev Drug Discov 10, 661-669, PubMed ID: 21878981
- 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. (2011). Molecular signatures of end-stage heart failure.. J Card Fail. 17, 867-874, PubMed ID: 21962426
- Guo, K., Bamforth, F. & Li, L. (2011). 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, PubMed ID: 21472593
- Clements, M. & Li, L. (2011). 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, PubMed ID: 21168549
- Bhomkar, P., Materi, W. and Wishart, D.S. (2011). The bacterial nanorecorder: engineering E. coli to function as a chemical recording device.. PLoS One. 6(11):e27559, PubMed ID: 22132112
- 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. (2011). The deubiquitinase activity of the Salmonella pathogenicity island 2 effector, SseL, prevents accumulation of cellular lipid droplets.. Infect Immun 79, 4392-4400, PubMed ID: 21875964
- 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. (2011). The human serum metabolome.. PLoS One 6, e16957, PubMed ID: 21359215
- Perez-Pineiro, R., Bjorndahl, T.C., Berjanskii, M.V., Hau, D., Li, L., Huang, A., Lee, R., Gibbs, E., Ladner, C., Dong, Y.W., Abera, A., Cashman, N.R. & Wishart, D.S. (2011). The prion protein binds thiamine.. FEBS J. 278, 4002-4014, PubMed ID: 21848803
- Mercier, P., Lewis, M.J., Chang, D., Baker, D. & Wishart, D.S. (2011). Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra.. J Biomol NMR 49, 307-323, PubMed ID: 21360156
- Zuniga, A. & Li, L. (2011). Ultra-high performance liquid chromatography tandem mass spectrometry for comprehensive analysis of urinary acylcarnitines.. Anal Chim Acta 689, 77-84, PubMed ID: 21338760
- Blydt-Hansen, T.D., Mandal, R. & Wishart, D.S. (2011). Urine Metabolite Profiles Distinguish Acute Rejection from Acute Allograft Injury and Normal Functioning Allografts in Pediatric Renal Tranpslant Recipients.. Pediatric Transplantation 15, SI98-99,
- Xia, J. & Wishart, D.S. (2011). Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst.. Nat Protoc 6, 743-760, PubMed ID: 21637195
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