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dc.contributor.authorBouatra, Souhailaen_US
dc.contributor.authorAziat, Fariden_US
dc.contributor.authorMandal, Rupasrien_US
dc.contributor.authorGuo, An Chien_US
dc.contributor.authorWilson, Michael R.en_US
dc.contributor.authorKnox, Craigen_US
dc.contributor.authorBjorndahl, Trent C.en_US
dc.contributor.authorKrishnamurthy, Ramanarayanen_US
dc.contributor.authorSaleem, Foziaen_US
dc.contributor.authorLiu, Philipen_US
dc.contributor.authorDame, Zerihun T.en_US
dc.contributor.authorPoelzer, Jennaen_US
dc.contributor.authorHuynh, Jessicaen_US
dc.contributor.authorYallou, Faizath S.en_US
dc.contributor.authorPsychogios, Nicken_US
dc.contributor.authorDong, Edisonen_US
dc.contributor.authorBogumil, Ralfen_US
dc.contributor.authorRoehring, Corneliaen_US
dc.contributor.authorWishart, David S.en_US
dc.date.accessioned2014-03-10T16:17:45Z
dc.date.issued2013en_US
dc.identifier.citationBouatra, S., F. Aziat, R. Mandal, A. C. Guo, M. R. Wilson, C. Knox, T. C. Bjorndahl, et al. 2013. “The Human Urine Metabolome.” PLoS ONE 8 (9): e73076. doi:10.1371/journal.pone.0073076. http://dx.doi.org/10.1371/journal.pone.0073076.en
dc.identifier.issn1932-6203en
dc.identifier.urihttp://nrs.harvard.edu/urn-3:HUL.InstRepos:11877133
dc.description.abstractUrine has long been a “favored” biofluid among metabolomics researchers. It is sterile, easy-to-obtain in large volumes, largely free from interfering proteins or lipids and chemically complex. However, this chemical complexity has also made urine a particularly difficult substrate to fully understand. As a biological waste material, urine typically contains metabolic breakdown products from a wide range of foods, drinks, drugs, environmental contaminants, endogenous waste metabolites and bacterial by-products. Many of these compounds are poorly characterized and poorly understood. In an effort to improve our understanding of this biofluid we have undertaken a comprehensive, quantitative, metabolome-wide characterization of human urine. This involved both computer-aided literature mining and comprehensive, quantitative experimental assessment/validation. The experimental portion employed NMR spectroscopy, gas chromatography mass spectrometry (GC-MS), direct flow injection mass spectrometry (DFI/LC-MS/MS), inductively coupled plasma mass spectrometry (ICP-MS) and high performance liquid chromatography (HPLC) experiments performed on multiple human urine samples. This multi-platform metabolomic analysis allowed us to identify 445 and quantify 378 unique urine metabolites or metabolite species. The different analytical platforms were able to identify (quantify) a total of: 209 (209) by NMR, 179 (85) by GC-MS, 127 (127) by DFI/LC-MS/MS, 40 (40) by ICP-MS and 10 (10) by HPLC. Our use of multiple metabolomics platforms and technologies allowed us to identify several previously unknown urine metabolites and to substantially enhance the level of metabolome coverage. It also allowed us to critically assess the relative strengths and weaknesses of different platforms or technologies. The literature review led to the identification and annotation of another 2206 urinary compounds and was used to help guide the subsequent experimental studies. An online database containing the complete set of 2651 confirmed human urine metabolite species, their structures (3079 in total), concentrations, related literature references and links to their known disease associations are freely available at http://www.urinemetabolome.ca.en
dc.language.isoen_USen
dc.publisherPublic Library of Scienceen
dc.relation.isversionofdoi:10.1371/journal.pone.0073076en
dc.relation.hasversionhttp://www.ncbi.nlm.nih.gov/pmc/articles/PMC3762851/pdf/en
dash.licenseLAAen_US
dc.subjectBiologyen
dc.subjectBiochemistryen
dc.subjectMetabolismen
dc.subjectCarbohydrate Metabolismen
dc.subjectMetabolic Pathwaysen
dc.subjectNitrogen Metabolismen
dc.subjectSmall Moleculesen
dc.subjectComputational Biologyen
dc.subjectBiological Data Managementen
dc.subjectText Miningen
dc.subjectSystems Biologyen
dc.subjectChemistryen
dc.subjectAnalytical Chemistryen
dc.subjectChemical Analysisen
dc.subjectQuantitative Analysisen
dc.subjectChromatographyen
dc.subjectComputer Scienceen
dc.subjectMedicineen
dc.subjectDiagnostic Medicineen
dc.subjectClinical Laboratory Sciencesen
dc.subjectUrologyen
dc.titleThe Human Urine Metabolomeen
dc.typeJournal Articleen_US
dc.description.versionVersion of Recorden
dc.relation.journalPLoS ONEen
dc.date.available2014-03-10T16:17:45Z
dc.identifier.doi10.1371/journal.pone.0073076*
dash.authorsorderedfalse


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