Comparison of Analytical Methods Of Serum Untargeted Metabolomics

Tiago A.H. Fonseca, M. Conceição Oliveira, Rúben Araújo, Luís Bento, Cristiana Von Rekowski, Gonçalo C. Justino, Cecília R.C. Calado

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Abstract

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.

Original languageEnglish
Title of host publication2023 IEEE 7th Portuguese Meeting on Bioengineering, ENBENG 2023
PublisherInstitute of Electrical and Electronics Engineers (IEEE)
Pages32-35
Number of pages4
ISBN (Electronic)9798350322576
DOIs
Publication statusPublished - Jul 2023
Event7th IEEE Portuguese Meeting on Bioengineering, ENBENG 2023 - Porto, Portugal
Duration: 22 Jun 202323 Jun 2023

Publication series

Name2023 IEEE 7th Portuguese Meeting on Bioengineering, ENBENG 2023

Conference

Conference7th IEEE Portuguese Meeting on Bioengineering, ENBENG 2023
Country/TerritoryPortugal
CityPorto
Period22/06/2323/06/23

Keywords

  • Fourier Transform Infrared Spectroscopy
  • Liquid Chromatography
  • Mass Spectrometry
  • Metabolomics

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