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Comparison of Analytical Methods Of Serum Untargeted Metabolomics
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Resumo(s)
Metabolomics has emerged as a powerful tool in the discovery of new biomarkers for medical diagnosis and prognosis. However, there are numerous challenges, such as the methods used to characterize the system metabolome. In the present work, the comparison of two analytical platforms to acquire the serum metabolome of critically ill patients was conducted. The untargeted serum metabolome analysis by ultraperformance liquid chromatography coupled to tandem mass spectrometry (UPLC-MS/MS) enabled to identify a set of metabolites statistically different between deceased and discharged patients. This set of metabolites also enabled to develop a very good predictive model, based on linear discriminant analysis (LDA) with a sensitivity and specificity of 80% and 100%, respectively. Fourier Transform Infrared (FTIR) spectroscopy was also applied in a high-throughput, simple and rapid mode to analyze the serum metabolome. Despite this technique not enabling the identification of metabolites, it allowed to identify molecular fingerprints associated to each patient group, while leading to a good predictive model, based on principal component analysis-LDA, with a sensitivity and specificity of 100% and 90%, respectively. Therefore, both analytical techniques presented complementary characteristics, that should be further explored for metabolome characterization and application as for biomarkers discovery for medical diagnosis and prognosis.
Descrição
Funding Information: IV. ACKNOWLEDGEMENTS This research was funded by Fundação para a Ciência e a Tecnologia (FCT), grant DSAIPA/DS/0117/2020 and RNEM-LISBOA-01-0145-FEDER-022125 (Portuguese Mass Spectrometry Network). Centro de Química Estrutural is a Research Unit funded by FCT through projects UIDB/00100/2020 and UIDP/00100/2020. Institute of Molecular Sciences is an Associate Laboratory funded by FCT through project LA/P/0056/2020. Publisher Copyright: © 2023 IEEE.
Palavras-chave
Fourier Transform Infrared Spectroscopy Liquid Chromatography Mass Spectrometry Metabolomics Biomedical Engineering Radiology Nuclear Medicine and imaging Instrumentation
Contexto Educativo
Citação
Editora
Institute of Electrical and Electronics Engineers (IEEE)