Articles producció científica> Enginyeria Electrònica, Elèctrica i Automàtica

Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples

  • Datos identificativos

    Identificador: imarina:9332613
    Handle: https://hdl.handle.net/20.500.11797/imarina9332613
    Autores:
    Broeckling, CDBeger, RDCheng, LLCumeras, RCuthbertson, DJDasari, SDavis, WCDunn, WBEvans, AMFernández-Ochoa, AGika, HGoodacre, RGoodman, KDGouveia, GJHsu, PCKirwan, JAKodra, DKuligowski, JLan, RSLMonge, MEMoussa, LWNair, SGReisdorph, NSherrod, SDHolland, CUVuckovic, DYu, LRZhang, BTheodoridis, GMosley, JD
    Resumen:
    Untargeted metabolomics is an analytical approach with numerous applications serving as an effective metabolic phenotyping platform to characterize small molecules within a biological system. Data quality can be challenging to evaluate and demonstrate in metabolomics experiments. This has driven the use of pooled quality control (QC) samples for monitoring and, if necessary, correcting for analytical variance introduced during sample preparation and data acquisition stages. Described herein is a scoping literature review detailing the use of pooled QC samples in published untargeted liquid chromatography-mass spectrometry (LC-MS) based metabolomics studies. A literature query was performed, the list of papers was filtered, and suitable articles were randomly sampled. In total, 109 papers were each reviewed by at least five reviewers, answering predefined questions surrounding the use of pooled quality control samples. The results of the review indicate that use of pooled QC samples has been relatively widely adopted by the metabolomics community and that it is used at a similar frequency across biological taxa and sample types in both small- and large-scale studies. However, while many studies generated and analyzed pooled QC samples, relatively few reported the use of pooled QC samples to improve data quality. This demonstrates a clear opportunity for the field to more frequently utilize pooled QC samples for quality reporting, feature filtering, analytical drift correction, and metabolite annotation. Additionally, our survey approach enabled us to assess the ambiguity in the reporting of the methods used to describe the generation and use of pooled QC samples. This analysis indicates that many details of the QC framework are missing or unclear, limiting the reader's a

  • Otros:

    Autor según el artículo: Broeckling, CD; Beger, RD; Cheng, LL; Cumeras, R; Cuthbertson, DJ; Dasari, S; Davis, WC; Dunn, WB; Evans, AM; Fernández-Ochoa, A; Gika, H; Goodacre, R; Goodman, KD; Gouveia, GJ; Hsu, PC; Kirwan, JA; Kodra, D; Kuligowski, J; Lan, RSL; Monge, ME; Moussa, LW; Nair, SG; Reisdorph, N; Sherrod, SD; Holland, CU; Vuckovic, D; Yu, LR; Zhang, B; Theodoridis, G; Mosley, JD
    Departamento: Enginyeria Electrònica, Elèctrica i Automàtica
    Autor/es de la URV: Cumeras Olmeda, Raquel
    Palabras clave: Hplc-ms serum assurance
    Resumen: Untargeted metabolomics is an analytical approach with numerous applications serving as an effective metabolic phenotyping platform to characterize small molecules within a biological system. Data quality can be challenging to evaluate and demonstrate in metabolomics experiments. This has driven the use of pooled quality control (QC) samples for monitoring and, if necessary, correcting for analytical variance introduced during sample preparation and data acquisition stages. Described herein is a scoping literature review detailing the use of pooled QC samples in published untargeted liquid chromatography-mass spectrometry (LC-MS) based metabolomics studies. A literature query was performed, the list of papers was filtered, and suitable articles were randomly sampled. In total, 109 papers were each reviewed by at least five reviewers, answering predefined questions surrounding the use of pooled quality control samples. The results of the review indicate that use of pooled QC samples has been relatively widely adopted by the metabolomics community and that it is used at a similar frequency across biological taxa and sample types in both small- and large-scale studies. However, while many studies generated and analyzed pooled QC samples, relatively few reported the use of pooled QC samples to improve data quality. This demonstrates a clear opportunity for the field to more frequently utilize pooled QC samples for quality reporting, feature filtering, analytical drift correction, and metabolite annotation. Additionally, our survey approach enabled us to assess the ambiguity in the reporting of the methods used to describe the generation and use of pooled QC samples. This analysis indicates that many details of the QC framework are missing or unclear, limiting the reader's ability to determine which QC steps have been taken. Collectively, these results capture the current state of pooled QC sample usage and highlight existing strengths and deficiencies as they are applied in untargeted LC-MS metabolomics.
    Áreas temáticas: Química Medicina ii Medicina i Materiais Interdisciplinar Geociências General medicine Farmacia Ensino Engenharias iv Engenharias iii Engenharias ii Enfermagem Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry, analytical Biotecnología Biodiversidade Astronomia / física Analytical chemistry
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    Direcció de correo del autor: raquel.cumeras@urv.cat
    Identificador del autor: 0000-0003-4663-4247
    Fecha de alta del registro: 2024-08-03
    Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
    Enlace a la fuente original: https://pubs.acs.org/doi/full/10.1021/acs.analchem.3c02924
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referencia al articulo segun fuente origial: Analytical Chemistry. 95 (51): 18645-18654
    Referencia de l'ítem segons les normes APA: Broeckling, CD; Beger, RD; Cheng, LL; Cumeras, R; Cuthbertson, DJ; Dasari, S; Davis, WC; Dunn, WB; Evans, AM; Fernández-Ochoa, A; Gika, H; Goodacre, R (2023). Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples. Analytical Chemistry, 95(51), 18645-18654. DOI: 10.1021/acs.analchem.3c02924
    DOI del artículo: 10.1021/acs.analchem.3c02924
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2023
    Tipo de publicación: Journal Publications

  • Palabras clave:

    Analytical Chemistry,Chemistry, Analytical
    Hplc-ms
    serum
    assurance
    Química
    Medicina ii
    Medicina i
    Materiais
    Interdisciplinar
    Geociências
    General medicine
    Farmacia
    Ensino
    Engenharias iv
    Engenharias iii
    Engenharias ii
    Enfermagem
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências ambientais
    Ciências agrárias i
    Ciência de alimentos
    Ciência da computação
    Chemistry, analytical
    Biotecnología
    Biodiversidade
    Astronomia / física
    Analytical chemistry

  • Documentos:

    DocumentPrincipal

  • Cerca a google

    Search to google scholar