Author, as appears in the article.: Chaffin MD; Cao L; Deik AA; Clish CB; Hu FB; Martínez-González MA; Razquin C; Bullo M; Corella D; Gómez-Gracia E; Fiol M; Estruch R; Lapetra J; Fitó M; Arós F; Serra-Majem L; Ros E; Liang L
Department: Bioquímica i Biotecnologia
URV's Author/s: Bulló Bonet, Mònica
Keywords: measurement artifact missing pattern pooled qc sample Cardiovascular-disease Design Large-scale Measurement artifact Missing pattern Pooled qc sample Untargeted metabolomics
Abstract: Copyright © 2018 American Chemical Society. High-throughput metabolomics using liquid chromatography and mass spectrometry (LC/MS) provides a useful method to identify biomarkers of disease and explore biological systems. However, the majority of metabolic features detected from untargeted metabolomics experiments have unknown ion signatures, making it critical that data should be thoroughly quality controlled to avoid analyzing false signals. Here, we present a postalignment method relying on intermittent pooled study samples to separate genuine metabolic features from potential measurement artifacts. We apply the method to lipid metabolite data from the PREDIMED (PREvención con DIeta MEDi-terránea) study to demonstrate clear removal of measurement artifacts. The method is publicly available as the R package MetProc, available on CRAN under the GPL-v2 license.
Thematic Areas: Astronomia / física Biochemical research methods Biochemistry Biodiversidade Biotecnología Chemistry (all) Chemistry (miscellaneous) Ciência da computação Ciência de alimentos Ciências agrárias i Ciências ambientais Ciências biológicas i Ciências biológicas ii Ciências biológicas iii Educação física Engenharias ii Engenharias iii Farmacia General chemistry Interdisciplinar Medicina i Medicina ii Medicina veterinaria Odontología Química
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: monica.bullo@urv.cat
ISSN: 15353893
Author identifier: 0000-0002-0218-7046
Record's date: 2023-02-18
Papper version: info:eu-repo/semantics/acceptedVersion
Link to the original source: https://pubs.acs.org/doi/10.1021/acs.jproteome.8b00893#
Papper original source: Journal Of Proteome Research. 18 (3): 1446-1450
APA: Chaffin MD; Cao L; Deik AA; Clish CB; Hu FB; Martínez-González MA; Razquin C; Bullo M; Corella D; Gómez-Gracia E; Fiol M; Estruch R; Lapetra J; Fitó M (2019). MetProc: Separating Measurement Artifacts from True Metabolites in an Untargeted Metabolomics Experiment. Journal Of Proteome Research, 18(3), 1446-1450. DOI: 10.1021/acs.jproteome.8b00893
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Article's DOI: 10.1021/acs.jproteome.8b00893
Entity: Universitat Rovira i Virgili
Journal publication year: 2019
Publication Type: Journal Publications
Repositori URV