Título:	Detection of counterfeit Durateston using Fourier transform infrared spectroscopy and partial least squares : discriminant analysis
Autor(es):	Neves, Diana Brito da Justa Talhavini, Márcio Braga, Jez Willian Batista Zacca, Jorge Jardim Caldas, Eloisa Dutra
Assunto:	Medicamentos - falsificação Espectrometria de massa Espectroscopia de infravermelho
Data de publicação:	Jul-2017
Editora:	Sociedade Brasileira de Química
Referência:	NEVES, Diana B. J. et al. Detection of counterfeit Durateston using Fourier transform infrared spectroscopy and partial least squares: discriminant analysis. Journal of the Brazilian Chemical Society, São Paulo, v. 28, n. 7, p. 1288-1296, jul. 2017. Disponível em: <http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017000701288&lng=en&nrm=iso>. Acesso em: 7 fev. 2018. doi: http://dx.doi.org/10.21577/0103-5053.20160293.
Abstract:	Medicines containing anabolic steroids are one of the main targets for counterfeiting worldwide, including Brazil. The aim of this work was to propose a method for discriminating original and counterfeit Durateston® ampoules by Fourier transform infrared spectroscopy (FTIR) followed by chemometric analysis. Ninety-six ampoules of Durateston®, 49 originals and 47 counterfeits, were analyzed by gas chromatography with mass spectrometry (GC-MS) and by FTIR. Principal component analysis was applied to the infrared spectra to detected different clusters, corresponding to original samples and different types of counterfeits. A partial least squares - discriminant analysis method was proposed to discriminate original samples from those counterfeits that were indistinguishable from the originals in the infrared analysis. A training subset comprised of one-third of the available spectra was used to establish a suitable model that correctly discriminated all samples in the test subset, resulting in 0% of false positive or negative results and 100% of efficiency rate, sensitivity and specificity. In addition to the low cost of the infrared technique, the proposed method is fast, reliable and suitable to replace GC-MS methods used in Durateston® ampoule analyses to detect counterfeiting.
Unidade Acadêmica:	Instituto de Química (IQ)
Licença:	Journal of the Brazilian Chemical Society - This is an Open Access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0). Fonte: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017000701288&lng=en&nrm=iso. Acesso em: 7 fev. 2018.
DOI:	http://dx.doi.org/10.21577/0103-5053.20160293
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