Towards quality assurance and quality control in untargeted metabolomics studies

被引：95

作者：

Beger, Richard D. ^{[1
]}

Dunn, Warwick B. ^{[2
,3
]}

Bandukwala, Abbas ^{[4
]}

Bethan, Bianca ^{[5
]}

Broadhurst, David ^{[6
]}

Clish, Clary B. ^{[7
]}

Dasari, Surendra ^{[8
]}

Derr, Leslie ^{[9
]}

Evans, Annie ^{[10
]}

Fischer, Steve ^{[11
]}

Flynn, Thomas ^{[4
]}

Hartung, Thomas ^{[12
]}

Herrington, David ^{[13
]}

Higashi, Richard ^{[14
]}

Hsu, Ping-Ching ^{[15
]}

Jones, Christina ^{[16
]}

Kachman, Maureen ^{[17
]}

Karuso, Helen ^{[18
]}

Kruppa, Gary ^{[19
]}

Lippa, Katrice ^{[16
]}

Maruvada, Padma ^{[20
]}

Mosley, Jonathan ^{[21
]}

Ntai, Ioanna ^{[22
]}

O'Donovan, Claire ^{[23
]}

Playdon, Mary ^{[24
]}

Raftery, Daniel ^{[25
]}

Shaughnessy, Daniel ^{[26
]}

Souza, Amanda ^{[22
]}

Spaeder, Timothy ^{[10
]}

Spalholz, Barbara ^{[24
]}

Tayyari, Fariba ^{[27
]}

Ubhi, Baljit ^{[28
]}

Verma, Mukesh ^{[24
]}

Walk, Tilman ^{[5
]}

Wilson, Ian ^{[29
]}

Witkin, Keren ^{[24
]}

Bearden, Daniel W. ^{[30
,31
]}

Zanetti, Krista A. ^{[24
]}

机构：

[1] US FDA, Natl Ctr Toxicol Res, Jefferson, AR 72079 USA

[2] Univ Birmingham, Phenome Ctr Birmingham, Sch Biosci, Birmingham B15 2TT, W Midlands, England

[3] Univ Birmingham, Inst Metab & Syst Res, Birmingham B15 2TT, W Midlands, England

[4] US FDA, Silver Spring, MD USA

[5] Metan Hlth GmBH, Berlin, Germany

[6] Edith Cowan Univ, Perth, WA, Australia

[7] Broad Inst MIT & Harvard, Cambridge, MA USA

[8] Mayo Clin, Rochester, MN USA

[9] NIH, Off Director, Bldg 10, Bethesda, MD 20892 USA

[10] Metabolon, Res Triangle Pk, NC USA

[11] Agilent Technol, Santa Clara, CA USA

[12] Johns Hopkins Sch Publ Hlth, Baltimore, MD USA

[13] Wake Forest Univ, Winston Salem, NC 27109 USA

[14] Univ Kentucky, Lexington, KY USA

[15] Univ Arkansas Med Sci, Little Rock, AR 72205 USA

[16] NIST, Gaithersburg, MD 20899 USA

[17] Univ Michigan, Ann Arbor, MI 48109 USA

[18] Biocrates Inc, Innsbruck, Austria

[19] Bruker Daltron, Billerica, MA USA

[20] NIDDK, Bethesda, MD 20892 USA

[21] US EPA, Natl Exposure Res Lab, Athens, GA USA

[22] Thermo Fisher Sci, San Jose, CA USA

[23] European Bioinformat Inst, European Mol Biol Lab, Hinxton, England

[24] NCI, Rockville, MD 20850 USA

[25] Univ Washington, Seattle, WA 98195 USA

[26] NIEHS, Durham, NC USA

[27] Univ Georgia, Athens, GA 30602 USA

[28] AB Sciex, Framingham, MA USA

[29] Imperial Coll London, London, England

[30] NIST, Charleston, SC USA

[31] Ichthus Unlimited LLC, 109 S 32nd St, W Des Moines, IA USA

来源：

METABOLOMICS | 2019年 / 15卷 / 01期

基金：

英国医学研究理事会;

关键词：

Quality assurance (QA); Quality control (QC); Community engagement; Test materials; Reporting metrics;

D O I：

10.1007/s11306-018-1460-7

中图分类号：

R5 [内科学];

学科分类号：

1002 ; 100201 ;

摘要：

We describe here the agreed upon first development steps and priority objectives of a community engagement effort to address current challenges in quality assurance (QA) and quality control (QC) in untargeted metabolomic studies. This has included (1) a QA and QC questionnaire responded to by the metabolomics community in 2015 which recommended education of the metabolomics community, development of appropriate standard reference materials and providing incentives for laboratories to apply QA and QC; (2) a 2-day Think Tank on Quality Assurance and Quality Control for Untargeted Metabolomic Studies' held at the National Cancer Institute's Shady Grove Campus and (3) establishment of the Metabolomics Quality Assurance and Quality Control Consortium (mQACC) to drive forward developments in a coordinated manner.

引用

页数：5

共 50 条

[1] Towards quality assurance and quality control in untargeted metabolomics studies
Richard D. Beger
Warwick B. Dunn
Abbas Bandukwala
Bianca Bethan
David Broadhurst
Clary B. Clish
Surendra Dasari
Leslie Derr
Annie Evans
Steve Fischer
Thomas Flynn
Thomas Hartung
David Herrington
Richard Higashi
Ping-Ching Hsu
Christina Jones
Maureen Kachman
Helen Karuso
Gary Kruppa
Katrice Lippa
Padma Maruvada
Jonathan Mosley
Ioanna Ntai
Claire O’Donovan
Mary Playdon
Daniel Raftery
Daniel Shaughnessy
Amanda Souza
Timothy Spaeder
Barbara Spalholz
Fariba Tayyari
Baljit Ubhi
Mukesh Verma
Tilman Walk
Ian Wilson
Keren Witkin
Daniel W. Bearden
Krista A. Zanetti
[J]. Metabolomics, 2019, 15
[2] Establishing a framework for best practices for quality assurance and quality control in untargeted metabolomics
Jonathan D. Mosley
Tracey B. Schock
Chris W. Beecher
Warwick B. Dunn
Julia Kuligowski
Matthew R. Lewis
Georgios Theodoridis
Candice Z. Ulmer Holland
Dajana Vuckovic
Ian D. Wilson
Krista A. Zanetti
[J]. Metabolomics, 20
[3] Establishing a framework for best practices for quality assurance and quality control in untargeted metabolomics
Mosley, Jonathan D.
Schock, Tracey B.
Beecher, Chris W.
Dunn, Warwick B.
Kuligowski, Julia
Lewis, Matthew R.
Theodoridis, Georgios
Holland, Candice Z. Ulmer
Vuckovic, Dajana
Wilson, Ian D.
Zanetti, Krista A.
[J]. METABOLOMICS, 2024, 20 (02)
[4] Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC)
Katrice A. Lippa
Juan J. Aristizabal-Henao
Richard D. Beger
John A. Bowden
Corey Broeckling
Chris Beecher
W. Clay Davis
Warwick B. Dunn
Roberto Flores
Royston Goodacre
Gonçalo J. Gouveia
Amy C. Harms
Thomas Hartung
Christina M. Jones
Matthew R. Lewis
Ioanna Ntai
Andrew J. Percy
Dan Raftery
Tracey B. Schock
Jinchun Sun
Georgios Theodoridis
Fariba Tayyari
Federico Torta
Candice Z. Ulmer
Ian Wilson
Baljit K. Ubhi
[J]. Metabolomics, 18
[5] Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC)
Lippa, Katrice A.
Aristizabal-Henao, Juan J.
Beger, Richard D.
Bowden, John A.
Broeckling, Corey
Beecher, Chris
Clay Davis, W.
Dunn, Warwick B.
Flores, Roberto
Goodacre, Royston
Gouveia, Goncalo J.
Harms, Amy C.
Hartung, Thomas
Jones, Christina M.
Lewis, Matthew R.
Ntai, Ioanna
Percy, Andrew J.
Raftery, Dan
Schock, Tracey B.
Sun, Jinchun
Theodoridis, Georgios
Tayyari, Fariba
Torta, Federico
Ulmer, Candice Z.
Wilson, Ian
Ubhi, Baljit K.
[J]. METABOLOMICS, 2022, 18 (04)
[6] Quality assurance procedures for mass spectrometry untargeted metabolomics. a review
Dudzik, Danuta
Barbas-Bernardos, Cecilia
Garcia, Antonia
Barbas, Coral
[J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2018, 147 : 149 - 173
[7] Dissemination and analysis of the quality assurance (QA) and quality control (QC) practices of LC–MS based untargeted metabolomics practitioners
Anne M. Evans
Claire O’Donovan
Mary Playdon
Chris Beecher
Richard D. Beger
John A. Bowden
David Broadhurst
Clary B. Clish
Surendra Dasari
Warwick B. Dunn
Julian L. Griffin
Thomas Hartung
Ping- Ching Hsu
Tao Huan
Judith Jans
Christina M. Jones
Maureen Kachman
Andre Kleensang
Matthew R. Lewis
María Eugenia Monge
Jonathan D. Mosley
Eric Taylor
Fariba Tayyari
Georgios Theodoridis
Federico Torta
Baljit K. Ubhi
Dajana Vuckovic
[J]. Metabolomics, 2020, 16
[8] Dissemination and analysis of the quality assurance (QA) and quality control (QC) practices of LC-MS based untargeted metabolomics practitioners
Evans, Anne M.
O'Donovan, Claire
Playdon, Mary
Beecher, Chris
Beger, Richard D.
Bowden, John A.
Broadhurst, David
Clish, Clary B.
Dasari, Surendra
Dunn, Warwick B.
Griffin, Julian L.
Hartung, Thomas
Hsu, Ping- Ching
Huan, Tao
Jans, Judith
Jones, Christina M.
Kachman, Maureen
Kleensang, Andre
Lewis, Matthew R.
Monge, Maria Eugenia
Mosley, Jonathan D.
Taylor, Eric
Tayyari, Fariba
Theodoridis, Georgios
Torta, Federico
Ubhi, Baljit K.
Vuckovic, Dajana
[J]. METABOLOMICS, 2020, 16 (10)
[9] Data harmonization in metabolomics for quality assurance and control
Sheen, David
Benner, Bruce
Simon, Yamil
Rocha, Werickson F. C.
Jones, Christina
Blonder, Niksa
Lippa, Katrice
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256
[10] Quality Assurance of Metabolomics
Bouhifd, Mounir
Beger, Richard
Flynn, Thomas
Guo, Lining
Harris, Georgina
Hogberg, Helena
Kaddurah-Daouk, Rima
Kamp, Hennicke
Kleensang, Andre
Maertens, Alexandra
Odwin-DaCosta, Shelly
Pamies, David
Robertson, Donald
Smirnova, Lena
Sun, Jinchun
Zhao, Liang
Hartung, Thomas
[J]. ALTEX-ALTERNATIVES TO ANIMAL EXPERIMENTATION, 2015, 32 (04) : 319 - 326

← 1 2 3 4 5 →