Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory

Detalhes bibliográficos
Autor(a) principal: Custódio,Maísa F.
Data de Publicação: 2021
Outros Autores: Magalhães,Laiz O., Arantes,Luciano C., Braga,Jez W. B.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532021000300513
Resumo: Blotter papers seizures containing synthetic drugs have intensified over the last decades. These drugs were originally conceived as “legal” alternatives to traditional illicit drugs, designed to mimic their effects and circumvent control agencies. Reference methods for determining these substances on blotter papers are based on chromatographic techniques using mass spectrometry detection. However, these procedures are destructive, expensive, and time consuming. Some compounds are also thermolabile and not suitable for regular gas chromatography analyses. In this paper, two multivariate models were presented and incorporated in the routine of a forensic laboratory as a screening method. They were developed and validated using a representative dataset of 158 seizures analyzed by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and a partial least squares-discriminant analysis (PLS-DA) model. The first model (model A) discriminates between samples with and without different types of drugs, and the second one (model B) discriminates between samples containing NBOMe and NBOH, two N-benzyl 2,5-dimethoxy substituted phenethylamine commonly incorporated into blotter papers. The proposed method is fast, non-destructive, and requires no sample preparation. Both models showed reliable results (misidentification errors < 10%), presented good results in a real forensic laboratory routine, and can be updated to include new drugs.
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spelling Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratorysynthetic drugsblotter papersroutine analysischemometricsNBOHNBOMeBlotter papers seizures containing synthetic drugs have intensified over the last decades. These drugs were originally conceived as “legal” alternatives to traditional illicit drugs, designed to mimic their effects and circumvent control agencies. Reference methods for determining these substances on blotter papers are based on chromatographic techniques using mass spectrometry detection. However, these procedures are destructive, expensive, and time consuming. Some compounds are also thermolabile and not suitable for regular gas chromatography analyses. In this paper, two multivariate models were presented and incorporated in the routine of a forensic laboratory as a screening method. They were developed and validated using a representative dataset of 158 seizures analyzed by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and a partial least squares-discriminant analysis (PLS-DA) model. The first model (model A) discriminates between samples with and without different types of drugs, and the second one (model B) discriminates between samples containing NBOMe and NBOH, two N-benzyl 2,5-dimethoxy substituted phenethylamine commonly incorporated into blotter papers. The proposed method is fast, non-destructive, and requires no sample preparation. Both models showed reliable results (misidentification errors < 10%), presented good results in a real forensic laboratory routine, and can be updated to include new drugs.Sociedade Brasileira de Química2021-03-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532021000300513Journal of the Brazilian Chemical Society v.32 n.3 2021reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0103-5053.20200205info:eu-repo/semantics/openAccessCustódio,Maísa F.Magalhães,Laiz O.Arantes,Luciano C.Braga,Jez W. B.eng2021-02-25T00:00:00Zoai:scielo:S0103-50532021000300513Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2021-02-25T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
title Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
spellingShingle Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
Custódio,Maísa F.
synthetic drugs
blotter papers
routine analysis
chemometrics
NBOH
NBOMe
title_short Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
title_full Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
title_fullStr Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
title_full_unstemmed Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
title_sort Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
author Custódio,Maísa F.
author_facet Custódio,Maísa F.
Magalhães,Laiz O.
Arantes,Luciano C.
Braga,Jez W. B.
author_role author
author2 Magalhães,Laiz O.
Arantes,Luciano C.
Braga,Jez W. B.
author2_role author
author
author
dc.contributor.author.fl_str_mv Custódio,Maísa F.
Magalhães,Laiz O.
Arantes,Luciano C.
Braga,Jez W. B.
dc.subject.por.fl_str_mv synthetic drugs
blotter papers
routine analysis
chemometrics
NBOH
NBOMe
topic synthetic drugs
blotter papers
routine analysis
chemometrics
NBOH
NBOMe
description Blotter papers seizures containing synthetic drugs have intensified over the last decades. These drugs were originally conceived as “legal” alternatives to traditional illicit drugs, designed to mimic their effects and circumvent control agencies. Reference methods for determining these substances on blotter papers are based on chromatographic techniques using mass spectrometry detection. However, these procedures are destructive, expensive, and time consuming. Some compounds are also thermolabile and not suitable for regular gas chromatography analyses. In this paper, two multivariate models were presented and incorporated in the routine of a forensic laboratory as a screening method. They were developed and validated using a representative dataset of 158 seizures analyzed by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and a partial least squares-discriminant analysis (PLS-DA) model. The first model (model A) discriminates between samples with and without different types of drugs, and the second one (model B) discriminates between samples containing NBOMe and NBOH, two N-benzyl 2,5-dimethoxy substituted phenethylamine commonly incorporated into blotter papers. The proposed method is fast, non-destructive, and requires no sample preparation. Both models showed reliable results (misidentification errors < 10%), presented good results in a real forensic laboratory routine, and can be updated to include new drugs.
publishDate 2021
dc.date.none.fl_str_mv 2021-03-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
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dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532021000300513
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dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.21577/0103-5053.20200205
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.32 n.3 2021
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
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instname_str Sociedade Brasileira de Química (SBQ)
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collection Journal of the Brazilian Chemical Society (Online)
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