Biomolecular profile of tobacco users by infrared spectroscopy and machine learning approaches
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Journal of Pharmacy and Pharmacology Research
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Objectives: 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.
Como referenciar
NOGUEIRA, 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. Journal of Pharmacy and Pharmacology Research, v. 8, p. 87-94, 2024. DOI: 10.26502/fjppr.0101. Disponível em: https://repositorio.ipen.br/handle/123456789/49014. Acesso em: 20 Mar 2026.
Esta referência é gerada automaticamente de acordo com as normas do estilo IPEN/SP (ABNT NBR 6023) e recomenda-se uma verificação final e ajustes caso necessário.