Finding Correspondence between Metabolomic Features in Untargeted Liquid Chromatography-Mass Spectrometry Metabolomics Datasets.

Biomarkers / analysis Chromatography, Liquid / methods Mass Spectrometry / methods Metabolomics / methods

Journal

Analytical chemistry
ISSN: 1520-6882
Titre abrégé: Anal Chem
Pays: United States
ID NLM: 0370536

Informations de publication

Date de publication:
12 04 2022
Historique:
pubmed: 2 4 2022
medline: 14 4 2022
entrez: 1 4 2022
Statut: ppublish

Résumé

Integration of multiple datasets can greatly enhance bioanalytical studies, for example, by increasing power to discover and validate biomarkers. In liquid chromatography-mass spectrometry (LC-MS) metabolomics, it is especially hard to combine untargeted datasets since the majority of metabolomic features are not annotated and thus cannot be matched by chemical identity. Typically, the information available for each feature is retention time (RT), mass-to-charge ratio (

Identifiants

DOI: 10.1021/acs.analchem.1c03592 PMID: 35360896 PMC: PMC9008693
pubmed: 35360896
doi: 10.1021/acs.analchem.1c03592
pmc: PMC9008693
doi:

Substances chimiques

Biomarkers 0

Types de publication

Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

5493-5503

Subventions

Organisme : NHLBI NIH HHS
ID : 75N92020D00005
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95160
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95163
Pays : United States
Organisme : NCATS NIH HHS
ID : UL1 TR001079
Pays : United States
Organisme : NHLBI NIH HHS
ID : R01 HL133932
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95164
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95168
Pays : United States
Organisme : Medical Research Council
ID : MR/R023484/1
Pays : United Kingdom
Organisme : NIDDK NIH HHS
ID : P30 DK063491
Pays : United States
Organisme : NHLBI NIH HHS
ID : R01 HL149779
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95165
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95159
Pays : United States
Organisme : NHLBI NIH HHS
ID : 75N92020D00007
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95167
Pays : United States
Organisme : Medical Research Council
ID : MR/S019669/1
Pays : United Kingdom
Organisme : NCATS NIH HHS
ID : UL1 TR001881
Pays : United States
Organisme : NHLBI NIH HHS
ID : 75N92020D00002
Pays : United States
Organisme : NHLBI NIH HHS
ID : HHSN268201500003C
Pays : United States
Organisme : NHLBI NIH HHS
ID : 75N92020D00001
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95169
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95162
Pays : United States
Organisme : NHLBI NIH HHS
ID : 75N92020D00003
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95161
Pays : United States
Organisme : NCATS NIH HHS
ID : UL1 TR001420
Pays : United States
Organisme : NHLBI NIH HHS
ID : 75N92020D00004
Pays : United States
Organisme : NHLBI NIH HHS
ID : HHSN268201500003I
Pays : United States
Organisme : NHLBI NIH HHS
ID : R01 HL111362
Pays : United States
Organisme : NCATS NIH HHS
ID : UL1 TR000040
Pays : United States
Organisme : Wellcome Trust
Pays : United Kingdom
Organisme : NHLBI NIH HHS
ID : 75N92020D00006
Pays : United States
Organisme : NHLBI NIH HHS
ID : N01HC95166
Pays : United States
Organisme : Department of Health
Pays : United Kingdom
Organisme : Chief Scientist Office
Pays : United Kingdom
Organisme : British Heart Foundation
Pays : United Kingdom
Organisme : Medical Research Council
ID : MC_PC_17114
Pays : United Kingdom
Organisme : Medical Research Council
ID : MR/L01632X/1
Pays : United Kingdom

Références

Anal Chem. 2018 Mar 6;90(5):3156-3164
pubmed: 29381867
Anal Chem. 2016 Sep 20;88(18):9004-13
pubmed: 27479709
Nature. 2008 May 15;453(7193):396-400
pubmed: 18425110
Anal Chem. 2006 Feb 1;78(3):779-87
pubmed: 16448051
Bioinformatics. 2020 May 1;36(9):2862-2871
pubmed: 31950989
Nucleic Acids Res. 2007 Jul;35(Web Server issue):W606-12
pubmed: 17584797
Anal Chem. 2021 Mar 30;93(12):5028-5036
pubmed: 33724799
Nat Biotechnol. 2016 Aug 9;34(8):828-837
pubmed: 27504778
Anal Chem. 2012 Aug 7;84(15):6869-76
pubmed: 22823568
Anal Chem. 2011 Feb 1;83(3):696-700
pubmed: 21174458
Metabolites. 2016 Nov 02;6(4):
pubmed: 27827849
Metabolomics. 2007 Sep;3(3):211-221
pubmed: 24039616
BMC Bioinformatics. 2019 Jun 14;20(1):334
pubmed: 31200644
Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617
pubmed: 29140435
Bioinformatics. 2011 Apr 1;27(7):987-93
pubmed: 21296750
Anal Bioanal Chem. 2009 May;394(1):151-62
pubmed: 19198812
Am J Epidemiol. 2002 Nov 1;156(9):871-81
pubmed: 12397006
J Mass Spectrom. 2010 Jul;45(7):703-14
pubmed: 20623627
Anal Chem. 2020 Apr 7;92(7):5231-5239
pubmed: 32118408
Brief Bioinform. 2015 Jan;16(1):104-17
pubmed: 24273217
Methods Mol Biol. 2018;1754:265-292
pubmed: 29536449
Eur J Epidemiol. 2020 May;35(5):483-517
pubmed: 32367290

Auteurs

Rui Climaco Pinto (R)

Department of Epidemiology and Biostatistics, MRC-PHE Centre for Environment and Health, School of Public Health, Imperial College London, London W12 0BZ, U.K.
UK Dementia Research Institute, Imperial College London, London W12 0BZ, U.K.
ORCID: 0000-0002-8527-4873

Ibrahim Karaman (I)

Department of Epidemiology and Biostatistics, MRC-PHE Centre for Environment and Health, School of Public Health, Imperial College London, London W12 0BZ, U.K.
UK Dementia Research Institute, Imperial College London, London W12 0BZ, U.K.

Matthew R Lewis (MR)

MRC-NIHR National Phenome Centre, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.
Section of Bioanalytical Chemistry, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.
ORCID: 0000-0001-5760-5359

Jenny Hällqvist (J)

Centre for Translational Omics, Great Ormond Street Hospital, University College London, London WC1N 1EH, U.K.
Department of Clinical and Movement Neurosciences, Queen Square Institute of Neurology, University College London, London WC1N 3BG, U.K.

Manuja Kaluarachchi (M)

UK Dementia Research Institute, Imperial College London, London W12 0BZ, U.K.
Section of Bioinformatics, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.

Gonçalo Graça (G)

Section of Bioinformatics, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.
ORCID: 0000-0002-0876-3876

Elena Chekmeneva (E)

MRC-NIHR National Phenome Centre, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.
Section of Bioanalytical Chemistry, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.
ORCID: 0000-0003-1807-2398

Brenan Durainayagam (B)

Department of Epidemiology and Biostatistics, MRC-PHE Centre for Environment and Health, School of Public Health, Imperial College London, London W12 0BZ, U.K.
UK Dementia Research Institute, Imperial College London, London W12 0BZ, U.K.

Mohsen Ghanbari (M)

Department of Epidemiology, Erasmus University Medical Center, 3015 GD Rotterdam, The Netherlands.

M Arfan Ikram (MA)

Department of Epidemiology, Erasmus University Medical Center, 3015 GD Rotterdam, The Netherlands.

Henrik Zetterberg (H)

Department of Psychiatry and Neurochemistry, Institute of Neuroscience and Physiology, The Sahlgrenska Academy at University of Gothenburg, 431 41 Mölndal, Sweden.
Clinical Neurochemistry Laboratory, Sahlgrenska University Hospital, 413 45 Mölndal, Sweden.
Department of Neurodegenerative Disease, University College London, Queen Square, London WC1N 3BG, U.K.
UK Dementia Research Institute, University College London, London WC1N 3BG, U.K.

Julian Griffin (J)

UK Dementia Research Institute, Imperial College London, London W12 0BZ, U.K.
Section of Bioinformatics, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.

Paul Elliott (P)

Department of Epidemiology and Biostatistics, MRC-PHE Centre for Environment and Health, School of Public Health, Imperial College London, London W12 0BZ, U.K.
UK Dementia Research Institute, Imperial College London, London W12 0BZ, U.K.
ORCID: 0000-0002-7511-5684

Ioanna Tzoulaki (I)

Department of Epidemiology and Biostatistics, MRC-PHE Centre for Environment and Health, School of Public Health, Imperial College London, London W12 0BZ, U.K.
Department of Hygiene and Epidemiology, University of Ioannina School of Medicine, 451 10 Ioannina, Greece.

Abbas Dehghan (A)

Department of Epidemiology and Biostatistics, MRC-PHE Centre for Environment and Health, School of Public Health, Imperial College London, London W12 0BZ, U.K.
UK Dementia Research Institute, Imperial College London, London W12 0BZ, U.K.
Department of Epidemiology, Erasmus University Medical Center, 3015 GD Rotterdam, The Netherlands.

David Herrington (D)

Department of Internal Medicine, Wake Forest School of Medicine, Winston-Salem, North Carolina 27101, United States.

Timothy Ebbels (T)

Section of Bioinformatics, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, London SW7 2AZ, U.K.
ORCID: 0000-0002-3372-8423

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Classifications MeSH

questionsmedicales.fr › Facteurs biologiques › Marqueurs biologiques › Finding Correspondence between Metabolomic...
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Chromatographie › Chromatographie en phase liquide › Finding Correspondence between Metabolomic...
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Spectrométrie de masse › Finding Correspondence between Metabolomic...
questionsmedicales.fr › Disciplines des sciences naturelles › Chimie › Biochimie › Métabolomique › Finding Correspondence between Metabolomic...