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Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications

hal.structure.identifierUnité de Recherche Œnologie [Villenave d'Ornon] [OENO]
hal.structure.identifierBiologie du fruit et pathologie [BFP]
dc.contributor.authorHOMOBONO BRITO DE MOURA, Patricia
hal.structure.identifierUnité de Recherche Œnologie [Villenave d'Ornon] [OENO]
dc.contributor.authorLELEU, Guillaume
hal.structure.identifierUnité de Recherche Œnologie [Villenave d'Ornon] [OENO]
hal.structure.identifierMetaboHUB-Bordeaux
dc.contributor.authorDA COSTA, Grégory
hal.structure.identifierLaboratoire de Recherche en Sciences Végétales [LRSV]
hal.structure.identifierMetaboHUB-MetaToul
dc.contributor.authorMARTI, Guillaume
hal.structure.identifierPlateforme Bordeaux Metabolome
hal.structure.identifierBiologie du fruit et pathologie [BFP]
dc.contributor.authorPÉTRIACQ, Pierre
hal.structure.identifierPlateforme Bordeaux Metabolome
hal.structure.identifierUnité de Recherche Œnologie [Villenave d'Ornon] [OENO]
dc.contributor.authorVALLS FONAYET, Josep
hal.structure.identifierUnité de Recherche Œnologie [Villenave d'Ornon] [OENO]
dc.contributor.authorRICHARD, Tristan
dc.date.accessioned2025-07-26T02:08:18Z
dc.date.available2025-07-26T02:08:18Z
dc.date.issued2025-06-17
dc.identifier.issn1420-3049
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/207384
dc.description.abstractEnMetabolomics, the comprehensive analysis of low-molecular-weight metabolites (typically below 1500 DA) in biological systems, relies heavily on mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Each technique has inherent strengths and weaknesses. MS offers high sensitivity and is commonly coupled with chromatography to analyze complex matrices, yet it is destructive, has limited reproducibility, and provides limited structural information. NMR, while less sensitive, is non-destructive and enables structural elucidation and precise quantification. Recent studies increasingly employ data fusion (DF) strategies to combine the complementary information from NMR and MS, aiming to enhance metabolomic analyses. This review summarizes DF methodologies using NMR and MS data in metabolomics studies over the past decade. A comprehensive search of SciFinder, Scopus, and Clarivate Web of Science databases was conducted to analyze fusion techniques, methods, and statistical models. The review emphasizes the growing importance of DF in metabolomics, showing its capacity to provide a more comprehensive view of biochemical processes across diverse biological systems, including clinical, plant, and food matrices.
dc.description.sponsorshipDéveloppement d'une infrastructure française distribuée pour la métabolomique dédiée à l'innovation - ANR-11-INBS-0010
dc.description.sponsorshipProjet vin authenticité en RMN - ANR-21-CE21-0014
dc.language.isoen
dc.publisherMDPI
dc.rights.urihttp://creativecommons.org/licenses/by/
dc.subject.enmetabolomics
dc.subject.endata fusion
dc.subject.ennuclear magnetic resonance (NMR)
dc.subject.enmass spectrometry (MS)
dc.subject.enmulti-omics
dc.title.enIntegrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications
dc.typeArticle de revue
dc.identifier.doi10.3390/molecules30122624
dc.subject.halSciences du Vivant [q-bio]
bordeaux.journalMolecules
bordeaux.page2624
bordeaux.volume30
bordeaux.hal.laboratoriesBiologie du Fruit & Pathologie (BFP) - UMR 1332*
bordeaux.issue12
bordeaux.institutionUniversité de Bordeaux
bordeaux.institutionINRAE
bordeaux.peerReviewedoui
hal.identifierhal-05186140
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-05186140v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Molecules&rft.date=2025-06-17&rft.volume=30&rft.issue=12&rft.spage=2624&rft.epage=2624&rft.eissn=1420-3049&rft.issn=1420-3049&rft.au=HOMOBONO%20BRITO%20DE%20MOURA,%20Patricia&LELEU,%20Guillaume&DA%20COSTA,%20Gr%C3%A9gory&MARTI,%20Guillaume&P%C3%89TRIACQ,%20Pierre&rft.genre=article


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