دورية أكاديمية
Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples.
| العنوان: | Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples. |
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| المؤلفون: | Broeckling CD; Analytical Resources Core: Bioanalysis and Omics Center; Department of Agricultural Biology, Colorado State University, Fort Collins, Colorado 80525, United States., Beger RD; Division of Systems Biology, National Center for Toxicological Research, U.S. Food and Drug Administration, Jefferson, Arkansas 72079, United States., Cheng LL; Departments of Radiology and Pathology, Massachusetts General Hospital, Harvard Medical School, Boston, Massachusetts 02114, United States., Cumeras R; Department of Oncology, Hospital Universitari Sant Joan de Reus, Institut d'Investigació Sanitària Pere Virgili (IISPV), URV, CERCA, 43204 Reus, Spain., Cuthbertson DJ; Agilent Technologies Inc., 5301 Stevens Creek Blvd, Santa Clara, California 95051, United States., Dasari S; Department of Quantitative Health Sciences, Mayo Clinic, Rochester, Minnesota 55905, United States., Davis WC; National Institute of Standards and Technology, Chemical Sciences Division, 331 Fort Johnson Road, Charleston, South Carolina 29412, United States., Dunn WB; Centre for Metabolomics Research, Department of Biochemistry and Systems Biology, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, BioSciences Building, Crown St., Liverpool L69 7ZB,U.K., Evans AM; Metabolon, Inc. 617 Davis Drive, Suite 100, Morrisville, North Carolina 27560, United States., Fernández-Ochoa A; Department of Analytical Chemistry, University of Granada, 18071 Granada, Spain., Gika H; School of Medicine, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece., Goodacre R; Centre for Metabolomics Research, Department of Biochemistry and Systems Biology, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, BioSciences Building, Crown St., Liverpool L69 7ZB,U.K., Goodman KD; Metabolon, Inc., 617 Davis Drive, Suite 100, Morrisville, North Carolina 27560, United States., Gouveia GJ; Institute for Bioscience and Biotechnology Research, National Institute of Standards and Technology, University of Maryland, Gudelsky Drive, Rockville, Maryland 20850, United States., Hsu PC; Department of Environmental Health Sciences, University of Arkansas for Medical Sciences, Little Rock, Arkansas 72205-7190, United States., Kirwan JA; Metabolomics, Berlin Institute of Health at Charite, Anna-Louisa-Karsch-Str. 2, 10178 Berlin, Germany., Kodra D; Department of Chemistry, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece., Kuligowski J; Neonatal Research Group, Health Research Institute La Fe, Avenida Fernando Abril Martorell 106, 46026 Valencia, Spain., Lan RS; Arkansas Children's Nutrition Center, Little Rock, Arkansas 72202-3591, United States., Monge ME; Centro de Investigaciones en Bionanociencias (CIBION), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Godoy Cruz 2390, C1425FQD Ciudad de Buenos Aires, Argentina., Moussa LW; Center for Veterinary Medicine, Office of New Animal Drug Evaluation, U.S. Food and Drug Administration, Rockville, Maryland 20855, United States., Nair SG; Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2G2, Canada., Reisdorph N; Department of Pharmaceutical Sciences, University of Colorado-Anschutz Medical Campus, Aurora, Colorado 80045, United States., Sherrod SD; Department of Chemistry and Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37240, United States., Ulmer Holland C; Chemistry Branch, Eastern Laboratory, Office of Public Health Science, USDA-FSIS, Athens, Georgia 30605, United States., Vuckovic D; Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montreal, QC H4B 1R6, Canada., Yu LR; Division of Systems Biology, National Center for Toxicological Research, U.S. Food and Drug Administration, Jefferson, Arkansas 72079, United States., Zhang B; Olaris, Inc., 175 Crossing Blvd Suite 410, Framingham, Massachusetts 01702, United States., Theodoridis G; Department of Chemistry, Aristotle University of Thessaloniki, Thessaloniki 54124, Greece., Mosley JD; Center for Environmental Measurement and Modeling, Environmental Protection Agency, Athens, Georgia 30605, United States. |
| المصدر: | Analytical chemistry [Anal Chem] 2023 Dec 26; Vol. 95 (51), pp. 18645-18654. Date of Electronic Publication: 2023 Dec 06. |
| نوع المنشور: | Journal Article; Review; Research Support, Non-U.S. Gov't; Research Support, N.I.H., Extramural |
| اللغة: | English |
| بيانات الدورية: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 0370536 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6882 (Electronic) Linking ISSN: 00032700 NLM ISO Abbreviation: Anal Chem Subsets: MEDLINE |
| أسماء مطبوعة: | Original Publication: Washington, American Chemical Society. |
| مواضيع طبية MeSH: | Liquid Chromatography-Mass Spectrometry* , Tandem Mass Spectrometry*/methods, Chromatography, Liquid/methods ; Metabolomics/methods ; Quality Control |
| مستخلص: | 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. |
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| معلومات مُعتمدة: | R01 AG070257 United States AG NIA NIH HHS; R01 CA273010 United States CA NCI NIH HHS; R03 NS125243 United States NS NINDS NIH HHS; U01 CA235507 United States CA NCI NIH HHS |
| تواريخ الأحداث: | Date Created: 20231206 Date Completed: 20231227 Latest Revision: 20240220 |
| رمز التحديث: | 20240221 |
| مُعرف محوري في PubMed: | PMC10753522 |
| DOI: | 10.1021/acs.analchem.3c02924 |
| PMID: | 38055671 |
| قاعدة البيانات: | MEDLINE |
Find this issue from the American Chemical Society | تدمد: | 1520-6882 |
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| DOI: | 10.1021/acs.analchem.3c02924 |