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Comparison of analytical methods of serum untargeted metabolomics

2023-06Conference object Restricted access
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dc.contributor.authorFonseca, Tiago AH
dc.contributor.authorAraújo, Rúben
dc.contributor.authorVon Rekowski, Cristiana
dc.contributor.authorJustino, Gonçalo C.
dc.contributor.authorOliveira, Maria Da Conceiçao
dc.contributor.authorBento, Luís
dc.contributor.authorCalado, Cecília
dc.date.accessioned2024-03-25T15:22:58Z
dc.date.available2024-03-25T15:22:58Z
dc.date.issued2023-06
dc.description.abstractMetabolomics 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.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationT. Fonseca, R. Araújo, C. Von Rekowski, G.C. Justino, M.C. Oliveira, L. Bento, C.R.C. Calado. Comparison of analytical methods of serum untargeted metabolomics. 2023 IEEE 7th Portuguese Meeting on Bioengineering, ENBENG 2023. Institute of Electrical and Electronics Engineers (IEEE), 22-23 June 2023, Porto University, Porto, Portugal. DOI: 10.1109/ENBENG58165.2023.10175339pt_PT
dc.identifier.doi10.1109/ENBENG58165.2023.10175339pt_PT
dc.identifier.isbn979-8-3503-2257-6
dc.identifier.issn2771-487X
dc.identifier.urihttp://hdl.handle.net/10400.21/17215
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherInstitute of Electrical and Electronics Engineers (IEEE)pt_PT
dc.relationRNEM-LISBOA-01-0145-FEDER-022125pt_PT
dc.relationCentro de Química Estrutural
dc.relationCentro de Química Estrutural
dc.relation.publisherversionhttps://ieeexplore.ieee.org/servlet/opac?punumber=10175314pt_PT
dc.subjectMetabolomicspt_PT
dc.subjectMass Spectrometrypt_PT
dc.subjectLiquidpt_PT
dc.subjectChromatographypt_PT
dc.subjectFourier Transform Infrared Spectroscopypt_PT
dc.titleComparison of analytical methods of serum untargeted metabolomicspt_PT
dc.typeconference object
dspace.entity.typePublication
oaire.awardTitleCentro de Química Estrutural
oaire.awardTitleCentro de Química Estrutural
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/DSAIPA%2FDS%2F0117%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00100%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00100%2F2020/PT
oaire.citation.conferencePlacePortugalpt_PT
oaire.citation.endPage35pt_PT
oaire.citation.startPage32pt_PT
oaire.citation.titleIEEE 7th Portuguese Meeting on Bioengineering, ENBENG 2023pt_PT
oaire.fundingStream3599-PPCDT
oaire.fundingStream6817 - DCRRNI ID
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person.familyNameHenrique Fonseca
person.familyNameAraújo
person.familyNameVon Rekowski
person.familyNameJustino
person.familyNameOliveira
person.familyNameBento
person.familyNameCalado
person.givenNameTiago Alexandre
person.givenNameRúben Alexandre Dinis
person.givenNameCristiana
person.givenNameGonçalo
person.givenNameMaria da Conceiçao
person.givenNameLuís
person.givenNameCecília
person.identifier1960990
person.identifier734387
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person.identifier.ciencia-id8F1D-1D48-8551
person.identifier.ciencia-id9A18-BFDC-ED95
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person.identifier.ciencia-idE711-FA12-4784
person.identifier.ciencia-id9418-E320-3177
person.identifier.orcid0000-0003-0741-2211
person.identifier.orcid0000-0002-9369-6486
person.identifier.orcid0009-0009-6843-1935
person.identifier.orcid0000-0003-4828-4738
person.identifier.orcid0000-0002-1231-3763
person.identifier.orcid0000-0002-0260-003X
person.identifier.orcid0000-0002-5264-9755
person.identifier.ridB-3190-2011
person.identifier.ridL-6623-2018
person.identifier.ridE-2102-2014
person.identifier.scopus-author-id6507263334
person.identifier.scopus-author-id6603163260
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsclosedAccesspt_PT
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