PMID- 36113324 OWN - NLM STAT- MEDLINE DCOM- 20221013 LR - 20221013 IS - 1873-264X (Electronic) IS - 0731-7085 (Linking) VI - 221 DP - 2022 Nov 30 TI - Using infrared spectroscopy of serum and chemometrics for diagnosis of paracoccidioidomycosis. PG - 115021 LID - S0731-7085(22)00442-3 [pii] LID - 10.1016/j.jpba.2022.115021 [doi] AB - Paracoccidioidomycosis (PCM) is a systemic granulomatous mycosis endemic to Latin America, whose etiologic agents are fungi of the genus Paracoccidioides. PCM is usually diagnosed by microscopic observation of the fungus in biological samples, combined or not with other techniques such as serological methods. However, all currently used diagnostic methods have limitations. The objective of this study was to develop a method based on Fourier transform infrared spectroscopy (FTIR) and chemometric analysis for PCM diagnosis. We included 224 serum samples: 132 PCM sera, 24 aspergillosis sera, 10 cryptococcosis sera, 8 histoplasmosis sera, and 50 sera from healthy blood donors. Samples were analyzed by attenuated total reflection (ATR), and chemometric analyses including exploratory analysis through principal component analysis (PCA) and a classification method (PCM and non-PCM) through orthogonal partial least squares discriminant analysis (OPLS-DA). The spectra were similar, with the main bands up to approximately 1652 cm(-1) and 1543 cm(-1) (amide I and amide II bands). This same region was mainly responsible for the partial separation of the samples in PCA. The OPLS-DA model correctly classified all serum samples with only one latent variable, with a determination coefficient (R(2)) higher than 0.999 for both the calibration set and prediction set. Sensitivity and specificity were 100% for both sets, showing better performance than the reference diagnostic methods. Therefore, the use of FTIR/ATR together with OPLS-DA modeling proved to be a promising method for PCM diagnosis. CI - Copyright (c) 2022 Elsevier B.V. All rights reserved. FAU - Koehler, Alessandra AU - Koehler A AD - Postgraduate Program of Medicine: Medical Sciences, Universidade Federal do Rio Grande do Sul - UFRGS, Porto Alegre, Brazil. FAU - Scroferneker, Maria Lucia AU - Scroferneker ML AD - Postgraduate Program of Medicine: Medical Sciences, Universidade Federal do Rio Grande do Sul - UFRGS, Porto Alegre, Brazil; Department of Microbiology, Immunology and Parasitology, ICBS, Universidade Federal do Rio Grande do Sul - UFRGS, Porto Alegre, Brazil. FAU - Pereira, Beatriz Aparecida Soares AU - Pereira BAS AD - Tropical Diseases Area, School of Medicine, Universidade Estadual Paulista - UNESP, Botucatu, Brazil. FAU - Pereira de Souza, Nikolas Mateus AU - Pereira de Souza NM AD - Department of Life Sciences, Universidade de Santa Cruz do Sul - UNISC, Santa Cruz do Sul, Brazil. FAU - de Souza Cavalcante, Ricardo AU - de Souza Cavalcante R AD - Tropical Diseases Area, School of Medicine, Universidade Estadual Paulista - UNESP, Botucatu, Brazil. FAU - Mendes, Rinaldo Poncio AU - Mendes RP AD - Tropical Diseases Area, School of Medicine, Universidade Estadual Paulista - UNESP, Botucatu, Brazil. FAU - Corbellini, Valeriano Antonio AU - Corbellini VA AD - Department of Sciences, Humanities and Education, Postgraduate Program in Health Promotion, Postgraduate Program in Environmental Technology, Universidade de Santa Cruz do Sul - UNISC, Santa Cruz do Sul, Brazil. Electronic address: valer@unisc.br. LA - eng PT - Journal Article DEP - 20220830 PL - England TA - J Pharm Biomed Anal JT - Journal of pharmaceutical and biomedical analysis JID - 8309336 RN - 0 (Amides) SB - IM MH - Amides MH - Chemometrics MH - Humans MH - Least-Squares Analysis MH - *Paracoccidioides MH - *Paracoccidioidomycosis/diagnosis MH - Spectroscopy, Fourier Transform Infrared/methods OTO - NOTNLM OT - Fourier transform infrared spectroscopy OT - Multivariate analysis OT - Orthogonal partial least squares discriminant analysis OT - Paracoccidioidomycosis OT - Photodiagnosis OT - Systemic mycosis COIS- Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. EDAT- 2022/09/17 06:00 MHDA- 2022/10/14 06:00 CRDT- 2022/09/16 18:24 PHST- 2022/07/19 00:00 [received] PHST- 2022/08/25 00:00 [revised] PHST- 2022/08/26 00:00 [accepted] PHST- 2022/09/17 06:00 [pubmed] PHST- 2022/10/14 06:00 [medline] PHST- 2022/09/16 18:24 [entrez] AID - S0731-7085(22)00442-3 [pii] AID - 10.1016/j.jpba.2022.115021 [doi] PST - ppublish SO - J Pharm Biomed Anal. 2022 Nov 30;221:115021. doi: 10.1016/j.jpba.2022.115021. Epub 2022 Aug 30.