Best practices in NMR metabolomics: Current state

被引：10

作者：

Powers, Robert ^{[1
,18
]}

Andersson, Erik R. ^{[2
]}

Bayless, Amanda L. ^{[3
]}

Brua, Robert B. ^{[4
]}

Chang, Mario C. ^{[5
]}

Cheng, Leo L. ^{[6
,7
]}

Clendinen, Chaevien S. ^{[8
]}

Cochran, Darcy ^{[1
,18
]}

Copie, Valerie ^{[9
]}

Cort, John R. ^{[8
]}

Crook, Alexandra A. ^{[1
,18
]}

Eghbalnia, Hamid R. ^{[10
]}

Giacalone, Anthony ^{[5
]}

Gouveia, Goncalo J. ^{[11
]}

Hoch, Jeffrey C. ^{[10
]}

Jeppesen, Micah J. ^{[1
,18
]}

Maroli, Amith S. ^{[1
,18
,21
]}

Merritt, Matthew E. ^{[5
]}

Pathmasiri, Wimal ^{[12
]}

Roth, Heidi E. ^{[1
,18
]}

Rushin, Anna ^{[5
]}

Sakallioglu, Isin T. ^{[1
,18
]}

Sarma, Saurav ^{[13
,20
]}

Schock, Tracey B. ^{[3
]}

Sumner, Lloyd W. ^{[13
]}

Takis, Panteleimon ^{[14
,19
]}

Uchimiya, Mario ^{[15
]}

Wishart, David S. ^{[16
,17
]}

机构：

[1] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA

[2] Univ Illinois, Dept Biol Sci, 845 W Taylor St, Chicago, IL 60607 USA

[3] NIST, Chem Sci Div, Charleston, SC 29412 USA

[4] Environm & Climate Change Canada, Natl Hydrol Res Ctr, 11 Innovat Blvd, Saskatoon, SK S7N 3H5, Canada

[5] Univ Florida, Dept Biochem & Mol Biol, Gainesville, FL 32611 USA

[6] Harvard Med Sch, Massachusetts Gen Hosp, Dept Pathol, Boston, MA USA

[7] Harvard Med Sch, Massachusetts Gen Hosp, Dept Radiol, Boston, MA USA

[8] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA

[9] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59715 USA

[10] UConn Hlth, Dept Mol Biol & Biophys, Farmington, CT 06030 USA

[11] Univ Maryland, Inst Biosci & Biotechnol Res, NIST, Gudelsky Dr, Rockville, MD 20850 USA

[12] Univ N Carolina, Dept Nutr, Nutr Res Inst, Sch Publ Hlth, Chapel Hill, NC 27599 USA

[13] Univ Missouri, MU Metab Ctr, Bond Life Sci Ctr, Dept Biochem,Interdisciplinary Plant Grp, Columbia, MO 65211 USA

[14] Imperial Coll London, Dept Metab Digest & Reprod, Div Syst Med, Sect Bioanalyt Chem, London SW7 2AZ, England

[15] Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 USA

[16] Univ Alberta, Dept Biol Sci, Edmonton, AB T6G 2E8, Canada

[17] Univ Alberta, Dept Comp Sci, Edmonton, AB T6G 2E8, Canada

[18] Univ Nebraska, Nebraska Ctr Integrated Biomol Commun, Lincoln, NE 68588 USA

[19] Imperial Coll London, Natl Phenome Ctr, Dept Metab Digest & Reprod, London W12 0NN, England

[20] Bayer Crop Sci, 700 Chesterfield Pkwy W, Chesterfield, MO 63017 USA

[21] Icahn Sch Med Mt Sinai, New York, NY 10029 USA

来源：

TRAC-TRENDS IN ANALYTICAL CHEMISTRY | 2024年 / 171卷

基金：

美国国家卫生研究院;

关键词：

USA; UK; NMR; Metabolomics; Best practices; Literature survey; MINIMUM REPORTING STANDARDS; FALSE DISCOVERY RATE; MULTIVARIATE-ANALYSIS; MODEL VALIDATION; QUALITY-CONTROL; DRUG DISCOVERY; HUMAN BLOOD; SPECTROSCOPY; URINE; RECOMMENDATIONS;

D O I：

10.1016/j.trac.2023.117478

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

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 to 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.

引用

页数：10

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