Análise toxicológica de anfetaminas e benzodiazepínicos em amostras de cabelo por cromatografia gasosa acoplada à espectrometria de massas

Pantaleão, Lorena do Nascimento

doi:10.11606/d.9.2013.tde-02042014-104017

Cited by 2 publications

(1 citation statement)

References 24 publications

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“…Table 1 shows the studied system, which contains five groups of different categories of NPSs [52,53] including the following: 16 molecules derived from amphetamines [3,4,15,54,55], 13 benzodiazepines derivatives [5][6][7][8][9]56,57], 15 synthetic cannabinoid compounds [10,12,13,[58][59][60][61], 16 cathinones [14][15][16]62], and 15 fentanyls [2,14,[20][21][22][63][64][65], selected from SWGDRUG [66] spectroscopic data. The total number of studied molecules was 75, and they are shown in the Supplementary Materials (Tables S1-S5).…”

Section: Studied Systemmentioning

confidence: 99%

Evaluation of Density Functional Theory-Generated Data for Infrared Spectroscopy of Novel Psychoactive Substances Using Unsupervised Learning

dos Santos,

Bruni

2024

Psychoactives

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Novel psychoactive substances (NPSs) are compounds plotted to modify the chemical structures of prohibited substances, offering alternatives for consumption and evading legislation. The prompt emergence of these substances presents challenges in health concerns and forensic assessment because of the lack of analytical standards. A viable alternative for establishing these standards involves leveraging in silico methods to acquire spectroscopic data. This study assesses the efficacy of utilizing infrared spectroscopy (IRS) data derived from density functional theory (DFT) for analyzing NPSs. Various functionals were employed to generate infrared spectra for five distinct NPS categories including the following: amphetamines, benzodiazepines, synthetic cannabinoids, cathinones, and fentanyls. PRISMA software was conceived to rationalize data management. Unsupervised learning techniques, including Hierarchical Cluster Analysis (HCA), Principal Component Analysis (PCA), and t-distributed stochastic neighbor embedding (t-SNE), were utilized to refine the assessment process. Our findings reveal no significant disparities among the different functionals used to generate infrared spectra data. Additionally, the application of unsupervised learning demonstrated adequate segregation of NPSs within their respective groups. In conclusion, integrating theoretical data and dimension reduction techniques proves to be a powerful strategy for evaluating the spectroscopic characteristics of NPSs. This underscores the potential of this combined methodology as a diagnostic tool for distinguishing IR spectra across various NPS groups, facilitating the evaluation of newly unknown compounds.

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Section: Studied Systemmentioning

confidence: 99%

Evaluation of Density Functional Theory-Generated Data for Infrared Spectroscopy of Novel Psychoactive Substances Using Unsupervised Learning

dos Santos,

Bruni

2024

Psychoactives

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Avaliação dos exames toxicológicos referentes a atividade de motoristas profissionais conforme Lei nº 13. 103

Silveira¹,

Domingues²,

Ehrhardt³

2020

Rev. Bras. Crimin.

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O uso de substâncias psicoativas é considerado um importante fator para a ocorrência de acidentes de trânsito. Além do álcool, drogas ilícitas como cocaína, anfetaminas e maconha são utilizadas pelos motoristas. Este estudo teve como objetivo avaliar o perfil de uso de substâncias psicoativas por motoristas profissionais. Trata-se de um estudo descritivo de caráter documental, por meio de avaliação retrospectiva das planilhas de registro de todos os motoristas que foram submetidos ao exame toxicológico, coletado em um laboratório de análises clínicas na cidade de Ibirubá/RS, no período de Março de 2016 a Outubro de 2017. Dos 980 laudos analisados, 19 (1,94%) apresentaram resultados positivos para uma ou mais drogas pesquisadas e/ou seus metabólitos, dos quais 63% foram resultados positivos para cocaína, 7% para maconha e 30% para opiáceos. O estudo indicou uma prevalência de resultados positivos para cocaína e uma ausência de positividade para compostos anfetamínicos. O exame toxicológico de larga janela de detecção tem com o intuito minimizar os riscos dos motoristas no trânsito, contribuindo assim, para a diminuição do número de acidentes e atos imprudentes.

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Análise toxicológica de anfetaminas e benzodiazepínicos em amostras de cabelo por cromatografia gasosa acoplada à espectrometria de massas

Cited by 2 publications

References 24 publications

Evaluation of Density Functional Theory-Generated Data for Infrared Spectroscopy of Novel Psychoactive Substances Using Unsupervised Learning

Evaluation of Density Functional Theory-Generated Data for Infrared Spectroscopy of Novel Psychoactive Substances Using Unsupervised Learning

Avaliação dos exames toxicológicos referentes a atividade de motoristas profissionais conforme Lei nº 13. 103

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