Improvement and Development of Robust Quality Assurance Procedures for Untargeted Metabolomics Workflow

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Advances in Metabolomics".

Deadline for manuscript submissions: closed (30 June 2022) | Viewed by 3407

Special Issue Editors


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Guest Editor
Department of Biopharmaceutics and Pharmacodynamics, Medical University of Gdańsk, Hallera 107, 80-416 Gdańsk, Poland
Interests: LC–MS; GC–MS; CE–MS; untargeted metabolomics; clinical application of metabolomics

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Guest Editor
Metabolomics Core Facility-MetCore, Vicepresidency for Research, Universidad de los Andes, Bogota, Colombia
Interests: untargeted metabolomics; lipidomics; mass spectrometry; LC-MS; GC-MS; CE-MS; clinical metabolomics; food metabolomics

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Guest Editor
1. Department Pharmacology and Toxicology, Maastricht University, 6229ER Maastricht, The Netherlands
2. NUTRIM School of Nutrition and Translational Research in Metabolism, Maastricht University, 6229ER Maastricht, The Netherlands
Interests: volatile metabolite; exhaled breath; fecal headspace analysis; machine learning; gut microbiome
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Guest Editor
Centre for Metabolomics and Bioanalysis (CEMBIO), Faculty of Pharmacy, Campus Monteprincipe, Universidad San Pablo CEU, CEU Universities, Boadilla del Monte, 28668 Madrid, Spain
Interests: untargeted metabolomics; mass spectrometry; LC-MS; GC-MS; CE-MS

Special Issue Information

Dear Colleagues,

Untargeted metabolomics powered by state-of-the-art advanced analytical solutions allows the transformation of complex data into valuable discoveries. However, advancing in metabolomics requires consensus for quality assurance and quality control (QA/QC) procedures. Standardization of the minimum requirements and best practices are crucial and should cover the whole workflow through experimental design, sampling, monitoring the precision of the analytical process, data processing, and treatment, as well as metabolite annotation. QA/QC provide a higher level of data confidence and reliability, especially for monitoring quality over time and comparing data across workflows or laboratories. Protocols, guidelines, and manuscripts that address data quality management in the untargeted metabolomics studies are welcome in this Special Issue. Special interest will be given for the studies reporting from considerably challenging matrices, such as extracellular vesicles, cells, and tissues, or analysis of volatile organic compounds.

Dr. Danuta Dudzik
Dr. Mónica P. Cala
Dr. Agnieszka M. Smolinska
Dr. Antonia García
Guest Editors

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Keywords

  • quality assurance
  • quality control
  • untargeted metabolomics
  • quality assessment
  • data reliability

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Published Papers (1 paper)

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Review

19 pages, 348 KiB  
Review
Common Strategies and Factors Affecting Off-Line Breath Sampling and Volatile Organic Compounds Analysis Using Thermal Desorption-Gas Chromatography-Mass Spectrometry (TD-GC-MS)
by Kinga Westphal, Danuta Dudzik, Małgorzata Waszczuk-Jankowska, Beata Graff, Krzysztof Narkiewicz and Michał Jan Markuszewski
Metabolites 2023, 13(1), 8; https://doi.org/10.3390/metabo13010008 - 21 Dec 2022
Cited by 14 | Viewed by 2953
Abstract
An analysis of exhaled breath enables specialists to noninvasively monitor biochemical processes and to determine any pathological state in the human body. Breath analysis holds the greatest potential to remold and personalize diagnostics; however, it requires a multidisciplinary approach and collaboration of many [...] Read more.
An analysis of exhaled breath enables specialists to noninvasively monitor biochemical processes and to determine any pathological state in the human body. Breath analysis holds the greatest potential to remold and personalize diagnostics; however, it requires a multidisciplinary approach and collaboration of many specialists. Despite the fact that breath is considered to be a less complex matrix than blood, it is not commonly used as a diagnostic and prognostic tool for early detection of disordered conditions due to its problematic sampling, analysis, and storage. This review is intended to determine, standardize, and marshal experimental strategies for successful, reliable, and especially, reproducible breath analysis Full article
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