Química Nova (Sep 2024)

APLICAÇÃO DA ESPECTROMETRIA DE MASSAS COM IONIZAÇÃO POR PAPER SPRAY E MÉTODO QUIMIOMÉTRICO OPLS-DA PARA O DIAGNÓSTICO DO CÂNCER DE PRÓSTATA PELA ANÁLISE DE AMOSTRAS DE URINA

  • Thifanny T. P. da Silva,
  • Ademar D. V. Máquina,
  • Anízia F. F. Durans,
  • Lucas G. da Costa,
  • Frederico G. Pinto,
  • Timothy J. Garrett,
  • Waldomiro Borges Neto

DOI
https://doi.org/10.21577/0100-4042.20250018
Journal volume & issue
Vol. 48, no. 1

Abstract

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APPLICATION OF MASS SPECTROMETRY WITH PAPER SPRAY IONIZATION AND THE OPLS-DA CHEMOMETRIC METHOD FOR THE DIAGNOSIS OF PROSTATE CANCER BY ANALYSIS OF URINE SAMPLES. In this study, paper spray ionization mass spectrometry (PSI-MS) allied to orthogonal projections on the latent structure-discrimination analysis (OPLS-DA) was employed to differentiate urine samples from patients with prostate cancer and control individuals (without prostate cancer). The parameters of sensitivity, specificity, efficiency and Matthew’s correlation coefficient determined to analyze the efficiency and quality of the OPLS-DA model obtained a value equal to 1, which means, respectively, that the model has a good performance to correctly classify true positive samples and true negatives. These results showed 100% correct classification of the samples from the training and test set, demonstrating a high efficiency of the OPLS-DA model when classifying all samples considered as belonging to the class of interest (urine from control patient) into class 1 and all samples considered as belonging to the non-interest class (urine from patients with prostate cancer) in class 0. This efficiency resulting from the application of this model suggests that the PSI-MS combined to OPLS-DA is a promisor approach for a rapid diagnosis of prostate cancer, via chemical fingerprints of urine samples.