Identification of Synthetic Drugs on Seized Blotter Papers Using ATR-FTIR and PLS-DA: Routine Application in a Forensic Laboratory
Autor(a) principal: | |
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Data de Publicação: | 2021 |
Outros Autores: | , , |
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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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 |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532021000300513 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532021000300513 |
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 |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
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) instacron:SBQ |
instname_str |
Sociedade Brasileira de Química (SBQ) |
instacron_str |
SBQ |
institution |
SBQ |
reponame_str |
Journal of the Brazilian Chemical Society (Online) |
collection |
Journal of the Brazilian Chemical Society (Online) |
repository.name.fl_str_mv |
Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ) |
repository.mail.fl_str_mv |
||office@jbcs.sbq.org.br |
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1750318183943766016 |