Risk of false decisions in chromatographic and spectrometric identification of chemical compounds

Autor(es)

de Godoy Bertanha, Maria Luiza ^[1] ; Lourenco, Felipe Rebello ^[1]

Afiliação do(s) autor(es)

^[1] Univ Sao Paulo, Dept Farm, Fac Ciencias Farmaceut, Av Prof Lineu Prestes 580, Cidade Univ, BR-05508000 Sao Paulo, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: MEASUREMENT; v. 183, OCT 2021.
• Citações Web of Science: 0

Resumo

The reliability of qualitative analysis has been much less studied than quantitative analysis. Thus, the aim of the work was to propose a procedure to estimate the risk of false identification of chemical compounds using chromatographic and spectrophotometric analytical procedures. For the chromatography test, the Monte Carlo method was used to simulate the relative retention time of the tested substances considering the chromatographic parameters. For the UV spectrometry test, the spectra of test sample and standard were decomposed, and the simulation of each peak was obtained by using a normally distributed random generator. The probabilities of true positives and false positives were estimated using MS-Excel spreadsheets. The estimation of true positive and false positive results is relevant to guarantee the reliability of qualitative results. In addition, the likelihood ratio was calculated to support the evidence of a positive identification result, which is a relevant issue to distinguish between original and counterfeit or substandard medicines. (AU)

• Processo FAPESP: 19/16206-3 - Riscos de decisões falsas quanto a avaliação de equivalência farmacêutica devido as incertezas de medições
• Beneficiário: Felipe Rebello Lourenço
• Modalidade de apoio: Auxílio à Pesquisa - Regular