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Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information
Chen, Jing1; Zhao, Xinjie1; Fritsche, Jens2; Yin, Peiyuan1; Schmitt-Kopplin, Philippe3; Wang, Wenzhao1; Lu, Xin1; Haring, Hans Ulrich4; Schleicher, Erwin D.2; Lehmann, Rainer2; Xu, Guowang1; Xu GW(许国旺)
Source PublicationANALYTICAL CHEMISTRY
2008-02-15
DOI10.1021/ac702089h
Volume80Issue:4Pages:1280-1289
Indexed BySCI
SubtypeArticle
Department18
Funding Project1808
Contribution Rank1;1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Analytical
WOS Research AreaChemistry
WOS KeywordIMPAIRED GLUCOSE-TOLERANCE ; INSULIN-RESISTANT MICE ; METABOLITE IDENTIFICATION ; HYDROXYHIPPURIC ACID ; GAS-CHROMATOGRAPHY ; DRUG METABOLITES ; SALICYLURIC ACID ; ORGANIC-ACIDS ; HUMAN URINE ; LIFE-STYLE
AbstractSensitive and high-resolution chromatographic-driven metabonomomics studies experienced major growth with the aid of new analytical technologies and bioinformatics software packages. Hence, data collections by LC-MS and data analyses by multivariate statistical methods are by far the most straightforward steps, and the detection of biomarker candidates can easily be achieved. However, the unequivocal identification of the detected metabolite candidates, including isomer elucidation, is still a crux of current metabonomics studies. Here we present a comprehensive analytical strategy for the elucidation of the molecular structure of metabolite biomarkers detected in a metabonomics study, exemplified analyzing spot urine of a cohort of healthy, insulin sensitive subjects and clinically well characterized prediabetic, insulin resistant individuals. An integrated approach of LC-MS fingerprinting, multivariate statistic analysis, LC-MS(n) experiments, micro preparation, FTICR-MS, GC retention index, database search, and generation of an isotope labeled standard was applied. Overall, we could demonstrate the efficiency of our analytical approach by the unambiguous elucidation of the molecular structure of an isomeric biomarker candidate detected in a complex human biofluid. The proposed strategy is a powerful new analytical tool, which will allow the definite identification of physiologically important molecules in metabonomics studies from basic biochemistry to clinical biomarker discovery.
Language英语
URL查看原文
WOS IDWOS:000253165400049
Citation statistics
Cited Times:142[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/100423
Collection中国科学院大连化学物理研究所
Corresponding AuthorXu GW(许国旺)
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, Natl Chromatograp RA Ctr, Dalian 116023, Peoples R China
2.Univ Tubingen Hosp, Cent Lab, Div Clin Chem & Pathobiochem, D-72076 Tubingen, Germany
3.GSF Natl Res Ctr Environm & Hlth, Inst Ecol Chem, D-85764 Neuherberg, Germany
4.Univ Tubingen Hosp, Dept Internal Med 4, D-72076 Tubingen, Germany
Recommended Citation
GB/T 7714
Chen, Jing,Zhao, Xinjie,Fritsche, Jens,et al. Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information[J]. ANALYTICAL CHEMISTRY,2008,80(4):1280-1289.
APA Chen, Jing.,Zhao, Xinjie.,Fritsche, Jens.,Yin, Peiyuan.,Schmitt-Kopplin, Philippe.,...&许国旺.(2008).Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information.ANALYTICAL CHEMISTRY,80(4),1280-1289.
MLA Chen, Jing,et al."Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information".ANALYTICAL CHEMISTRY 80.4(2008):1280-1289.
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