Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR

Detalhes bibliográficos
Autor(a) principal: Grobério,Tatiane S.
Data de Publicação: 2014
Outros Autores: Zacca,Jorge J., Talhavini,Marcio, 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=S0103-50532014000900021
Resumo: The determination of cocaine in drug samples is an important task for law enforcement agencies such as the Brazilian Federal Police (BFP). In this sense, this paper proposes a method based on infrared spectra obtained by attenuated total reflectance (ATR) and partial least squares regression (PLSR) to quantify cocaine hydrochloride in drug samples. The method was developed and validated with 275 actual samples of drugs seized by the BFP. The determination was performed between 35 to 99% (m/m) of cocaine in the drug samples. Results indicate that the method is able to directly analyze drug samples containing cocaine in its hydrochloride form without any sample preparation with average prediction errors of 3.00% (m/m), 1.50% (m/m) precision and 13% (m/m) of minimum detectable concentration.
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spelling Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSRcocaine hydrochloridePLSRFTIRThe determination of cocaine in drug samples is an important task for law enforcement agencies such as the Brazilian Federal Police (BFP). In this sense, this paper proposes a method based on infrared spectra obtained by attenuated total reflectance (ATR) and partial least squares regression (PLSR) to quantify cocaine hydrochloride in drug samples. The method was developed and validated with 275 actual samples of drugs seized by the BFP. The determination was performed between 35 to 99% (m/m) of cocaine in the drug samples. Results indicate that the method is able to directly analyze drug samples containing cocaine in its hydrochloride form without any sample preparation with average prediction errors of 3.00% (m/m), 1.50% (m/m) precision and 13% (m/m) of minimum detectable concentration.Sociedade Brasileira de Química2014-09-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532014000900021Journal of the Brazilian Chemical Society v.25 n.9 2014reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.5935/0103-5053.20140164info:eu-repo/semantics/openAccessGrobério,Tatiane S.Zacca,Jorge J.Talhavini,MarcioBraga,Jez W. B.eng2014-09-30T00:00:00Zoai:scielo:S0103-50532014000900021Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2014-09-30T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
title Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
spellingShingle Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
Grobério,Tatiane S.
cocaine hydrochloride
PLSR
FTIR
title_short Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
title_full Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
title_fullStr Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
title_full_unstemmed Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
title_sort Quantification of cocaine hydrochloride in seized drug samples by infrared spectroscopy and PLSR
author Grobério,Tatiane S.
author_facet Grobério,Tatiane S.
Zacca,Jorge J.
Talhavini,Marcio
Braga,Jez W. B.
author_role author
author2 Zacca,Jorge J.
Talhavini,Marcio
Braga,Jez W. B.
author2_role author
author
author
dc.contributor.author.fl_str_mv Grobério,Tatiane S.
Zacca,Jorge J.
Talhavini,Marcio
Braga,Jez W. B.
dc.subject.por.fl_str_mv cocaine hydrochloride
PLSR
FTIR
topic cocaine hydrochloride
PLSR
FTIR
description The determination of cocaine in drug samples is an important task for law enforcement agencies such as the Brazilian Federal Police (BFP). In this sense, this paper proposes a method based on infrared spectra obtained by attenuated total reflectance (ATR) and partial least squares regression (PLSR) to quantify cocaine hydrochloride in drug samples. The method was developed and validated with 275 actual samples of drugs seized by the BFP. The determination was performed between 35 to 99% (m/m) of cocaine in the drug samples. Results indicate that the method is able to directly analyze drug samples containing cocaine in its hydrochloride form without any sample preparation with average prediction errors of 3.00% (m/m), 1.50% (m/m) precision and 13% (m/m) of minimum detectable concentration.
publishDate 2014
dc.date.none.fl_str_mv 2014-09-01
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=S0103-50532014000900021
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532014000900021
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.5935/0103-5053.20140164
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.25 n.9 2014
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
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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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