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Recent trends in application of chemometric methods for GC-MS and GC×GC-MS-based metabolomic studies

Feizi, N ; Sharif University of Technology | 2021

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  1. Type of Document: Article
  2. DOI: 10.1016/j.trac.2021.116239
  3. Publisher: Elsevier B.V , 2021
  4. Abstract:
  5. Metabolomics is the science of studying small molecules (metabolites) in biological systems with the aim of getting insight into cells, biofluids and organisms. Chemometric methods are powerful tools to address data problems generated in metabolomic studies and to extract valuable information. This review focuses mainly on a range of chemometric methods used for processing of metabolomics data generated from gas chromatography-mass spectrometry (GC-MS) and comprehensive two-dimensional gas chromatography-mass spectrometry (GC × GC-MS). Herein, essential skills used for preprocessing of raw data, multivariate resolution, pattern recognition, variable selection and identification of metabolites are thoroughly discussed to tackle metabolomic problems. Additionally, different metabolites extraction methods from various biological samples are discussed prior to chemometric analysis. To present a clear picture, different examples form the literature between 2010 and 2020 are used to show each of the mentioned topics. © 2021 Elsevier B.V
  6. Keywords:
  7. Biomolecules ; Extraction ; Mass spectrometry ; Metabolites ; Multivariant analysis ; Pattern recognition ; Biofluids ; Chemometric method ; Chemometrics ; Comprehensive two-dimensional gas chromatography ; Gas chromatography/Mass spectrometry ; Metabolomic study ; Metabolomics ; Multi variate analysis ; Recent trends ; Small molecules ; Gas chromatography ; Chemometric analysis ; Chemometrics ; Extraction ; Mass fragmentography ; Metabolomics ; Pattern recognition ; Review ; Skill
  8. Source: TrAC - Trends in Analytical Chemistry ; Volume 138 , 2021 ; 01659936 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0165993621000625#!