Articles producció científica> Bioquímica i Biotecnologia

MetProc: Separating Measurement Artifacts from True Metabolites in an Untargeted Metabolomics Experiment

  • Datos identificativos

    Identificador: imarina:4225944
    Handle: https://hdl.handle.net/20.500.11797/imarina4225944
    Autores:
    Chaffin, Mark DCao, LiuDeik, Amy AClish, Clary BHu, Frank BMartinez-Gonzalez, Miguel ARazquin, CristinaBullo, MonicaCorella, DoloresGomez-Gracia, EnriqueFiol, MiguelEstruch, RamonLapetra, JoseFito, MontserratAros, FernandoSerra-Majem, LluisRos, EmilioLiang, Liming
    Resumen:
    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.

  • Otros:

    Autor según el artículo: 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
    Departamento: Bioquímica i Biotecnologia
    Autor/es de la URV: Bulló Bonet, Mònica
    Palabras clave: Untargeted metabolomics Pooled qc sample Missing pattern Measurement artifact Large-scale Design Cardiovascular-disease pooled qc sample missing pattern measurement artifact
    Resumen: 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.
    Áreas temáticas: 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
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 15353893
    Direcció de correo del autor: monica.bullo@urv.cat
    Identificador del autor: 0000-0002-0218-7046
    Fecha de alta del registro: 2024-10-12
    Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
    Enlace a la fuente original: https://pubs.acs.org/doi/10.1021/acs.jproteome.8b00893#
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referencia al articulo segun fuente origial: Journal Of Proteome Research. 18 (3): 1446-1450
    Referencia de l'ítem segons les normes 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
    DOI del artículo: 10.1021/acs.jproteome.8b00893
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2019
    Tipo de publicación: Journal Publications

  • Palabras clave:

    Biochemical Research Methods,Biochemistry,Chemistry (Miscellaneous)
    Untargeted metabolomics
    Pooled qc sample
    Missing pattern
    Measurement artifact
    Large-scale
    Design
    Cardiovascular-disease
    pooled qc sample
    missing pattern
    measurement artifact
    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

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