Biomolecular profile of tobacco users by infrared spectroscopy and machine learning approaches

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dc.contributor.authorNOGUEIRA, MARCELO S.
dc.contributor.authorCOSTA, NATALIA C.Q.
dc.contributor.authorBAROUDI, KUSAI
dc.contributor.authorFERREIRA, MARIA C. de M.S.C.
dc.contributor.authorSILVA, SARA M.S.D. da
dc.contributor.authorLEAL, LEONARDO B.
dc.contributor.authorCASTRO, PEDRO A.A.
dc.contributor.authorPERALTA, FELIPE
dc.contributor.authorZEZELL, DENISE M.
dc.contributor.authorCARVALHO, LUIS F. das C. e S. de
dc.coverageInternacional
dc.date.accessioned2025-02-20T19:43:15Z
dc.date.available2025-02-20T19:43:15Z
dc.date.issued2024
dc.description.abstractObjectives: Our study validates the preliminary steps needed to introduce FT-IR spectroscopy as a point-of-care diagnostic tool, particularly for patients at high risk for cancer. Materials and methods: FT-IR spectroscopy was used to determine molecular changes and classify saliva samples of control, smoker, and occasional smoker groups. Results: Correctly classified instances were 72.7% for the control group, 65.5% for occasional smokers and 75% for smokers. Sample differences were observed in the peaks at 1076cm-1, 1403cm-1 symmetric CH3 modes of protein methyl groups and δsCH3 of collagen, 1451cm-1 asymmetrical CH3 bending modes of the protein methyl groups, 1547cm-1 of protein band, amide II, peptide and proteins amide II, and 1646cm-1 amide I, C5 methylated cytosine, C==O bond, C==C stretching uracil and NH2 guanine. Conclusion: Our research demonstrates the potential of FT-IR spectroscopy in detecting subtle molecular changes in saliva, which can be correlated with smoking habits. This non-invasive technique could be instrumental in the early detection and monitoring of oral and systemic diseases, especially those related to tobacco use. Future research should focus on refining the classification algorithms and expanding the sample size to further improve the diagnostic accuracy and reliability of this technique.
dc.description.sponsorshipScience Foundation Ireland (SFI)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipIDSFI: SFI/15/RP/2828
dc.description.sponsorshipIDFAPESP: 17/21827-1; 22/16091-4
dc.description.sponsorshipIDCNPq: Interas 406761/2022-1
dc.format.extent87-94
dc.identifier.citationNOGUEIRA, MARCELO S.; COSTA, NATALIA C.Q.; BAROUDI, KUSAI; FERREIRA, MARIA C. de M.S.C.; SILVA, SARA M.S.D. da; LEAL, LEONARDO B.; CASTRO, PEDRO A.A.; PERALTA, FELIPE; ZEZELL, DENISE M.; CARVALHO, LUIS F. das C. e S. de. Biomolecular profile of tobacco users by infrared spectroscopy and machine learning approaches. <b>Journal of Pharmacy and Pharmacology Research</b>, v. 8, n. 4, p. 87-94, 2024. DOI: <a href="https://dx.doi.org/10.26502/fjppr.0101">10.26502/fjppr.0101</a>. Disponível em: https://repositorio.ipen.br/handle/123456789/49074.
dc.identifier.doi10.26502/fjppr.0101
dc.identifier.fasciculo4
dc.identifier.issn2578-1553
dc.identifier.orcidhttps://orcid.org/0000-0001-7404-9606
dc.identifier.percentilfiSem Percentil F.I.
dc.identifier.percentilfiCiteScoreSem Percentil CiteScore
dc.identifier.urihttps://repositorio.ipen.br/handle/123456789/49074
dc.identifier.vol8
dc.relation.ispartofJournal of Pharmacy and Pharmacology Research
dc.rightsopenAccess
dc.titleBiomolecular profile of tobacco users by infrared spectroscopy and machine learning approaches
dc.typeArtigo de periódico
dspace.entity.typePublication
ipen.autorPEDRO ARTHUR AUGUSTO DE CASTRO
ipen.autorDENISE MARIA ZEZELL
ipen.codigoautor12053
ipen.codigoautor693
ipen.contributor.ipenauthorPEDRO ARTHUR AUGUSTO DE CASTRO
ipen.contributor.ipenauthorDENISE MARIA ZEZELL
ipen.identifier.fiSem F.I.
ipen.identifier.fiCiteScoreSem CiteScore
ipen.identifier.ipendoc31131
ipen.type.genreArtigo
relation.isAuthorOfPublication4fc30bdc-40c6-4bd5-9431-96db978a0475
relation.isAuthorOfPublicationa565f8ad-3432-4891-98c0-a587f497db21
relation.isAuthorOfPublication.latestForDiscovery4fc30bdc-40c6-4bd5-9431-96db978a0475
sigepi.autor.atividadePEDRO ARTHUR AUGUSTO DE CASTRO:12053:930:N
sigepi.autor.atividadeDENISE MARIA ZEZELL:693:920:N
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