Author, as appears in the article.: Chaffin, Mark D; Cao, Liu; Deik, Amy A; Clish, Clary B; Hu, Frank B; Martinez-Gonzalez, Miguel A; Razquin, Cristina; Bullo, Monica; Corella, Dolores; Gomez-Gracia, Enrique; Fiol, Miguel; Estruch, Ramon; Lapetra, Jose; Fito, Montserrat; Aros, Fernando; Serra-Majem, Lluis; Ros, Emilio; Liang, Liming
Department: Bioquímica i Biotecnologia
URV's Author/s: Bulló Bonet, Mònica
Keywords: Untargeted metabolomics Pooled qc sample Missing pattern Measurement artifact Large-scale Design Cardiovascular-disease pooled qc sample missing pattern measurement artifact
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: Química Odontología Medicina veterinaria Medicina ii Medicina i Interdisciplinar General chemistry Farmacia Engenharias iii Engenharias ii Educação física Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry (miscellaneous) Chemistry (all) Biotecnología Biodiversidade Biochemistry Biochemical research methods Astronomia / física
licence for use: https://creativecommons.org/licenses/by/3.0/es/
ISSN: 15353893
Author's mail: monica.bullo@urv.cat
Author identifier: 0000-0002-0218-7046
Record's date: 2024-10-12
Papper version: info:eu-repo/semantics/acceptedVersion
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Journal Of Proteome Research. 18 (3): 1446-1450
APA: Chaffin, Mark D; Cao, Liu; Deik, Amy A; Clish, Clary B; Hu, Frank B; Martinez-Gonzalez, Miguel A; Razquin, Cristina; Bullo, Monica; Corella, Dolores; (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
Entity: Universitat Rovira i Virgili
Journal publication year: 2019
Publication Type: Journal Publications
Repositori URV