Perspective: use and reuse of NMR-based metabolomics data: what works and what remains challenging.

Autor: Gouveia GJ; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Institute for Bioscience and Biotechnology Research, National Institute of Standards and Technology, University of Maryland, Gudelsky Drive, Rockville, MD, 20850, USA., Head T; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; University of British Columbia, Kelowna, BC, V1V 1V7, Canada., Cheng LL; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Pathology and Department of Radiology, Massachusetts General Hospital and Harvard Medical School, Boston, MA, USA., Clendinen CS; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Earth and Biological Sciences Directorate, Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA, 99352, USA., Cort JR; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Earth and Biological Sciences Directorate, Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA, 99352, USA., Du X; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Bioinformatics and Genomics, University of North Carolina at Charlotte, 9291 University City Blvd, Charlotte, NC, 28223, USA., Edison AS; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Biochemistry, University of Georgia, Athens, GA, USA., Fleischer CC; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Radiology and Imaging Sciences, Emory University School of Medicine, Atlanta, GA, 30322, USA., Hoch J; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Molecular Biology and Biophysics, UConn Health, Farmington, CT, 06030-3305, USA., Mercaldo N; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Radiology, Massachusetts General Hospital and Harvard Medical School, Boston, MA, USA., Pathmasiri W; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Nutrition, School of Public Health, Nutrition Research Institute, University of North Carolina at Chapel Hill, Chapel Hill, NC, 27599, USA., Raftery D; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Anesthesia and Pain Medicine, University of Washington, Seattle, WA, 98109, USA., Schock TB; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Chemical Sciences Division, National Institute of Standards and Technology (NIST), Charleston, SC, 29412, USA., Sumner LW; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Biochemistry, MU Metabolomics Center, Bond Life Sciences Center, Interdisciplinary Plant Group, University of Missouri, Columbia, MO, 65211, USA., Takis PG; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Section of Bioanalytical Chemistry, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, London, SW7 2AZ, UK.; Department of Metabolism, Digestion and Reproduction, National Phenome Centre, Imperial College London, London, W12 0NN, UK., Copié V; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Chemistry and Biochemistry, Montana State University, Bozeman, MT, 59717-3400, USA., Eghbalnia HR; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.; Department of Molecular Biology and Biophysics, UConn Health, Farmington, CT, 06030-3305, USA., Powers R; Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada. rpowers3@unl.edu.; Department of Chemistry, Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, 722 Hamilton Hall, Lincoln, NE, 68588-0304, USA. rpowers3@unl.edu.
Jazyk: angličtina
Zdroj: Metabolomics : Official journal of the Metabolomic Society [Metabolomics] 2024 Mar 13; Vol. 20 (2), pp. 41. Date of Electronic Publication: 2024 Mar 13.
DOI: 10.1007/s11306-024-02090-6
Abstrakt: Background: The National Cancer Institute issued a Request for Information (RFI; NOT-CA-23-007) in October 2022, soliciting input on using and reusing metabolomics data. This RFI aimed to gather input on best practices for metabolomics data storage, management, and use/reuse.
Aim of Review: The nuclear magnetic resonance (NMR) Interest Group within the Metabolomics Association of North America (MANA) prepared a set of recommendations regarding the deposition, archiving, use, and reuse of NMR-based and, to a lesser extent, mass spectrometry (MS)-based metabolomics datasets. These recommendations were built on the collective experiences of metabolomics researchers within MANA who are generating, handling, and analyzing diverse metabolomics datasets spanning experimental (sample handling and preparation, NMR/MS metabolomics data acquisition, processing, and spectral analyses) to computational (automation of spectral processing, univariate and multivariate statistical analysis, metabolite prediction and identification, multi-omics data integration, etc.) studies.
Key Scientific Concepts of Review: We provide a synopsis of our collective view regarding the use and reuse of metabolomics data and articulate several recommendations regarding best practices, which are aimed at encouraging researchers to strengthen efforts toward maximizing the utility of metabolomics data, multi-omics data integration, and enhancing the overall scientific impact of metabolomics studies.
(© 2024. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)
Databáze: MEDLINE
Externí odkaz: