Quantitative NMR as a tool for analysis of new psychoactive substances

Serrano, Julia Neves Prates; Benedito, Luiz Eduardo Celino; Souza, Monica Paulo de; Maldaner, Adriano Otávio; Oliveira, Aline Lima de

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Campo DC	Valor	Idioma
dc.contributor.author	Serrano, Julia Neves Prates	-
dc.contributor.author	Benedito, Luiz Eduardo Celino	-
dc.contributor.author	Souza, Monica Paulo de	-
dc.contributor.author	Maldaner, Adriano Otávio	-
dc.contributor.author	Oliveira, Aline Lima de	-
dc.date.accessioned	2021-03-08T18:25:11Z	-
dc.date.available	2021-03-08T18:25:11Z	-
dc.date.issued	2020	-
dc.identifier.citation	SERRANO, Julia Neves Prates et al. Quantitative NMR as a tool for analysis of new psychoactive substances. Forensic Chemistry, v. 21, dez. 2020, 100282. DOI: https://doi.org/10.1016/j.forc.2020.100282. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S2468170920300709.	pt_BR
dc.identifier.uri	https://repositorio.unb.br/handle/10482/40191	-
dc.language.iso	Inglês	pt_BR
dc.publisher	Elsevier B.V.	pt_BR
dc.rights	Acesso Restrito	pt_BR
dc.title	Quantitative NMR as a tool for analysis of new psychoactive substances	pt_BR
dc.type	Artigo	pt_BR
dc.subject.keyword	Substâncias psicoativas	pt_BR
dc.subject.keyword	Análise forense	pt_BR
dc.identifier.doi	https://doi.org/10.1016/j.forc.2020.100282	pt_BR
dc.relation.publisherversion	https://www.sciencedirect.com/science/article/abs/pii/S2468170920300709	pt_BR
dc.description.abstract1	Several New Psychoactive Substances (NPS) have appeared on the drug market, following a new trend of drug consumption. Nuclear Magnetic Resonance (NMR) has been used, especially in the case of forensic analysis, as a tool for unambiguous structure determination of unknown NPS. The quantification of NPS in complex mixtures is, however, a very challenging task, especially in the absence of certified reference materials (CRM). In this work, we applied a quantitative 1H NMR (1H-qNMR) methodology performed without certified analytes for quantification of twelve NPS samples seized by the Brazilian Federal Police. The molecular structure of NPS samples were first confirmed by mono and bidimensional 1H and 13C NMR with unequivocally assigned signals, which allowed for the discrimination of constitutional isomers. A detailed compilation of NMR spectroscopic data showed that these NPS samples belong to cathinones, phenethylamines, and tryptamines groups. The quantitative analyses showed high precision (RSD = 2.67%) and low uncertainty (from 0.44% to 0.37%, with k = 2, 95% confidence). The NPS samples exhibited sufficient stability for a period of 48 h, which is longer than the experimental time frame and, therefore, assures the reliability and validity of the obtained results. Evaluation of some other figures of merit (selectivity, limits of quantification and detection) was also performed and confirmed the proposed method presents suitable and reproducible results. These achievements suggest the present methodology is highly adequate for forensic purposes, attaining excellent precision and accuracy, even in the absence of CRM.	pt_BR
dc.description.unidade	Instituto de Química (IQ)	pt_BR
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