ArticleTrends in analytical chemistry : TRAC2024
Best Practices in NMR Metabolomics: Current State.
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Article in Trends in analytical chemistry : TRAC, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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16citing papers in PubMed
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16 citing papers in PubMed.
- Uncovering the Metabolic Characterization of Pseudomonas psychrophila and Serratia grimesii Underlying Their Spoilage Potential in Refrigerated Salmon: Based on LC-MS Metabolomics Analysis.Journal of food science · 2026Article
- A Universal Framework for Blood Ionome Extraction and Intelligent Quality Control inAnalytical chemistry · 2026Article
- Intrapopulation Metabolic Variation Reflects Growth Differences: A Cross-Sectional Study on Gammarides.Ecology and evolution · 2026Article
- Deep Learning-Based and Python-Driven Construction and Application of a Mass Spectrometry Data Analysis Workflow: Taking Glucosinolates as an Example.Metabolites · 2026Article
- Sex-Driven Variation in Polar Metabolites and Lipid Motifs ofMetabolites · 2026Article
- Live Metabolomics with NMR.Analytical chemistry · 2026Review
- Responses and adaptations of plants to abiotic stress: transcriptional regulation of secondary metabolic pathways, metabolomics, and nanobiological approaches.Frontiers in genetics · 2026Review
- Pitfalls of onco-metabolomics: impact of sample integrity on metabolomic investigations in more than 4500 human serum samples from ten different cohorts.Frontiers in molecular biosciences · 2026Article
- Securing the Future of NMR Metabolomics Reproducibility: A Call for Standardized Reporting.Analytical chemistry · 2025Review
- An NMR Metabolomics Analysis Pipeline for Human Neutrophil Samples with Limited Source Material.Metabolites · 2025Article
- Recommendations for sample selection, collection and preparation for NMR-based metabolomics studies of blood.Metabolomics : Official journal of the Metabolomic Society · 2025Review
- PyINETA: Open-Source Platform for INADEQUATE-JRES Integration in NMR Metabolomics.Analytical chemistry · 2024Article
- Evaluating protocols for reproducible targeted metabolomics by NMR.The Analyst · 2024Article
- A Reproducibility Crisis for Clinical Metabolomics Studies.Trends in analytical chemistry : TRAC · 2024Article
- PyINETA: Open-source platform for INADEQUATE-JRES integration in NMR metabolomics.bioRxiv : the preprint server for biology · 2024Article
- NMR-based metabolomics identification of potential serum biomarkers of disease progression in patients with multiple sclerosis.Scientific reports · 2024Article
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Authors and funding
30 authors.
Robert PowersDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.ORCID 0000-0001-9948-6837
Erik R AnderssonDepartment of Biological Sciences, University of Illinois at Chicago, 845 W. Taylor Street, Chicago, IL 60607, USA.ORCID 0000-0002-7968-7057
Amanda L BaylessNational Institute of Standards and Technology (NIST), Chemical Sciences Division, Charleston, SC 29412, USA.ORCID 0000-0002-9073-5582
Robert B BruaEnvironment and Climate Change Canada, National Hydrology Research Centre, 11 Innovation Blvd, Saskatoon, Saskatchewan S7N 3H5, Canada.ORCID 0000-0003-0581-6300
Mario C ChangDepartment of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, 32611, USA.ORCID 0000-0002-2452-2693
Leo L ChengDepartment of Pathology and Department of Radiology, Massachusetts General Hospital, Harvard Medical School, Boston, MA, USA.ORCID 0000-0001-5975-5406
Chaevien S ClendinenEarth and Biological Sciences Directorate, Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA 99352, USA.
Darcy CochranDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.ORCID 0000-0002-2508-5333
Valérie CopiéDepartment of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59715, USA.ORCID 0000-0002-2778-1463
John R CortEarth and Biological Sciences Directorate, Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA 99352, USA.ORCID 0000-0001-6342-6461
Alexandra A CrookDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.
Hamid R EghbalniaDepartment of Molecular Biology and Biophysics, UConn Health, Farmington, CT 06030-3305, USA.ORCID 0000-0002-5073-1819
Anthony GiacaloneDepartment of Pathology and Department of Radiology, Massachusetts General Hospital, Harvard Medical School, Boston, MA, USA.
Goncalo J GouveiaInstitute for Bioscience and Biotechnology Research, National Institute of Standards and Technology, University of Maryland, Gudelsky Drive, Rockville, Maryland, 20850, USA.ORCID 0000-0002-3022-7332
Jeffrey C HochDepartment of Molecular Biology and Biophysics, UConn Health, Farmington, CT 06030-3305, USA.ORCID 0000-0002-9230-2019
Micah J JeppesenDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.ORCID 0000-0001-9230-5757
Amith S MaroliDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.ORCID 0000-0002-0647-0316
Matthew E MerrittDepartment of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, 32611, USA.
Wimal PathmasiriNutrition Research Institute, Department of Nutrition, School of Public Health, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA.ORCID 0000-0002-5199-5744
Heidi E RothDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.
Anna RushinDepartment of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, 32611, USA.
Isin T SakalliogluDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.
Saurav SarmaUniversity of Missouri, Department of Biochemistry, MU Metabolomics Center, Bond Life Sciences Center, Interdisciplinary Plant Group, Columbia, MO 65211, USA.
Tracey B SchockNational Institute of Standards and Technology (NIST), Chemical Sciences Division, Charleston, SC 29412, USA.ORCID 0000-0002-1808-7816
Lloyd W SumnerUniversity of Missouri, Department of Biochemistry, MU Metabolomics Center, Bond Life Sciences Center, Interdisciplinary Plant Group, Columbia, MO 65211, USA.ORCID 0000-0002-4086-663X
Panteleimon TakisSection of Bioanalytical Chemistry, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, UK National Phenome Centre, Department of Metabolism, Digestion and Reproduction, Imperial College London, London W12 0NN, UK.ORCID 0000-0002-7224-0412
Mario UchimiyaComplex Carbohydrate Research Center, University of Georgia, Athens, GA 30602, USA.ORCID 0000-0003-4802-1428
David S WishartDepartments of Biological Sciences and Computing Science, University of Alberta, Edmonton, Alberta, T6G 2E8, Canada.ORCID 0000-0002-3207-2434
Metabolomics Association of North America (MANA), NMR Special Interest Group
Metabolomics Quality Assurance & Quality Control Consortium (mQACC), NMR Technology Group
Funding
Targeted mass spectrometry approaches to understand CART processing and recepter interactionsP20GM113126 · NIGMS · UNIVERSITY OF NEBRASKA LINCOLN · PI GUO, JIANTAO · 2016 to 2025
$20.8MMetabolomic characterization of normal aging and Alzheimer's disease under anesthesia- surgery stimuliR01AG070257 · NIA · MASSACHUSETTS GENERAL HOSPITAL · PI JENKINS, BRUCE G, XIE, ZHONGCONG · 2021 to 2025
$3.9MMetabolic Control of gut-brain axis in Familial dysautonomia Supplement to parent grant 1R01DK117473-01A1 to support a PhD candidate/graduate student from an under-represented minorityR01DK117473 · NIDDK · MONTANA STATE UNIVERSITY - BOZEMAN · PI COPIE, VALERIE, WALK, SETH T · 2018 to 2022
$3.0MBiological Magnetic Resonance Data BankR24GM150793 · NIGMS · UNIVERSITY OF CONNECTICUT SCH OF MED/DNT · PI JEFFREY C HOCH · 2023 to 2026
$3.0MThe molecular mechanism linking respiratory NADH oxidation and virulence in Staphylococcus aureusR01AI148160 · NIAID · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI GENNIS, ROBERT B · 2020 to 2024
$2.6MHDO Imaging is a Quantitative Marker of Cerebral Glucose OxidationR01EB032376 · NIBIB · UNIVERSITY OF FLORIDA · PI BANKSON, JAMES A, KODIBAGKAR, VIKRAM D. · 2022 to 2025
$2.2MImaging Hepatic Energy Metabolism in NAFLD/NASHR01DK132254 · NIDDK · UNIVERSITY OF FLORIDA · PI MERRITT, MATTHEW E · 2022 to 2025
$2.0MInterdisciplinary Graduate Program in Type 1 Diabetes and Biomedical EngineeringT32DK108736 · NIDDK · UNIVERSITY OF FLORIDA · PI MARK A. ATKINSON, Benjamin George Keselowsky · 2017 to 2026
$1.9MNIAID NIH HHS R01 AI148160NIA NIH HHS R01 AG070257NIBIB NIH HHS R01 EB032376NIDDK NIH HHS R01 DK117473NIDDK NIH HHS R01 DK132254NIDDK NIH HHS T32 DK108736NIGMS NIH HHS P20 GM113126NIGMS NIH HHS R24 GM150793
Abstract
A literature survey was conducted to identify current practices used by NMR metabolomics investigators when conducting and reporting their metabolomics studies. A total of 463 papers from 2020 and 80 papers from 2010 were selected from PubMed and were manually analyzed by a team of investigators to assess the extent and completeness of the experimental procedures and protocols reported. A significant number of the papers did not report on essential experimental details, incompletely stated which statistical methods were used, improperly applied supervised multivariate statistical analyses, or lacked validation of statistical models. A large diversity of protocols and software were identified, which suggests a lack of consensus and a relatively limited use of commonly agreed upon standards for conducting and reporting NMR metabolomics studies. The overall intent of the survey is to inform and encourage the NMR metabolomics community to develop and adopt best-practices for the field.
Indexed as
Best PracticesLiterature surveyMetabolomicsNMR
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Registered trials
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.