Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications
Metabolomics, 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 a...
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| Format: | Article |
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MDPI AG
2025-06-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/30/12/2624 |
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| author | Patricia Homobono Brito de Moura Guillaume Leleu Grégory Da Costa Guillaume Marti Pierre Pétriacq Josep Valls Fonayet Tristan Richard |
| author_facet | Patricia Homobono Brito de Moura Guillaume Leleu Grégory Da Costa Guillaume Marti Pierre Pétriacq Josep Valls Fonayet Tristan Richard |
| author_sort | Patricia Homobono Brito de Moura |
| collection | DOAJ |
| description | Metabolomics, 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. |
| format | Article |
| id | doaj-art-6fa9c9c46edc48a59e3f8433fe79daf8 |
| institution | Matheson Library |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-6fa9c9c46edc48a59e3f8433fe79daf82025-06-25T14:13:45ZengMDPI AGMolecules1420-30492025-06-013012262410.3390/molecules30122624Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to ApplicationsPatricia Homobono Brito de Moura0Guillaume Leleu1Grégory Da Costa2Guillaume Marti3Pierre Pétriacq4Josep Valls Fonayet5Tristan Richard6Bordeaux INP, INRAE, Bordeaux Sciences Agro, OENO, UMR 1366, ISVV, University of Bordeaux, 33140 Villenave d’Ornon, FranceBordeaux INP, INRAE, Bordeaux Sciences Agro, OENO, UMR 1366, ISVV, University of Bordeaux, 33140 Villenave d’Ornon, FranceBordeaux INP, INRAE, Bordeaux Sciences Agro, OENO, UMR 1366, ISVV, University of Bordeaux, 33140 Villenave d’Ornon, FranceMetatoul-AgromiX Platform, Laboratoire de Recherche en Sciences Végétales (UMR 5546), Université deToulouse, CNRS, INP, 31320 Auzeville-Tolosane, FranceBordeaux Metabolome, MetaboHUB, PHENOME-EMPHASIS, 33140 Villenave d’Ornon, FranceBordeaux INP, INRAE, Bordeaux Sciences Agro, OENO, UMR 1366, ISVV, University of Bordeaux, 33140 Villenave d’Ornon, FranceBordeaux INP, INRAE, Bordeaux Sciences Agro, OENO, UMR 1366, ISVV, University of Bordeaux, 33140 Villenave d’Ornon, FranceMetabolomics, 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.https://www.mdpi.com/1420-3049/30/12/2624metabolomicsdata fusionnuclear magnetic resonance (NMR)mass spectrometry (MS)multi-omics |
| spellingShingle | Patricia Homobono Brito de Moura Guillaume Leleu Grégory Da Costa Guillaume Marti Pierre Pétriacq Josep Valls Fonayet Tristan Richard Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications Molecules metabolomics data fusion nuclear magnetic resonance (NMR) mass spectrometry (MS) multi-omics |
| title | Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications |
| title_full | Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications |
| title_fullStr | Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications |
| title_full_unstemmed | Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications |
| title_short | Integrating NMR and MS for Improved Metabolomic Analysis: From Methodologies to Applications |
| title_sort | integrating nmr and ms for improved metabolomic analysis from methodologies to applications |
| topic | metabolomics data fusion nuclear magnetic resonance (NMR) mass spectrometry (MS) multi-omics |
| url | https://www.mdpi.com/1420-3049/30/12/2624 |
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