Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry

Detalhes bibliográficos
Autor(a) principal: Zacca, Jorge Jardim
Data de Publicação: 2021
Outros Autores: Giudice, Gabriella Hamú, Souza, Mônica P., Caldas, Luíza N. B., Vieira, Maurício L., Machado, Ângelo Henirque de Lira
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UnB
Texto Completo: http://repositorio2.unb.br/jspui/handle/10482/47742
https://doi.org/10.1016/j.chroma.2020.461783
Resumo: New Psychoactive Substances (NPS) are quickly developing to evade legislation, posing unprecedented challenges to public health and law enforcement authorities around the world. The aim of this work was to develop and validate a simple and reliable non-target gas chromatography/mass spectrometry (GC/MS) analytical method based on linear retention indexes for the expeditious identification of NPS without the need of analytical standards. The method was optimized and validated for 22 different drugs covering ten categories: phenethylamines (amphetamine, MDMA, methamphetamine, 25C–NBOMe, 2-FA, 5-MAPB), “classic” drugs (cocaine, ephedrine, THC, heroine), synthetic cannabinoids (JWH-081, AM-2201, JWH-210, MAM-2201), piperazines (o-CPP, p-CPP), tryptamines (5-MeO-MiPT), synthetic cathinones (N ethylpentylone), synthetic opioids (U-47700), aminoindanes (5-IAI), plant-based substances (Salvinorin-A) and “other” (methiopropamine). Three figures of merit (Selectivity, Precision and Robustness) were eval uated with retention index confidence intervals ranging from 0.5 to 20.6 i.u. and relative standard de viations in the range of 0.003% to 0.027% (repeatability) and 0.02% to 0.29% (intermediate precision). A general equation for estimating linear retention index variation as a function of retention time tolerance has been derived. This result in combination with a 26−3 III fractional factorial design allowed to conclude column polarity to be only statistically relevant factor as compared to gas flow, split ratio, injection tem perature, temperature program offset and column brand.
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spelling Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometryCromatografia gasosaEspectrometria de massaSubstâncias psicoativasNew Psychoactive Substances (NPS) are quickly developing to evade legislation, posing unprecedented challenges to public health and law enforcement authorities around the world. The aim of this work was to develop and validate a simple and reliable non-target gas chromatography/mass spectrometry (GC/MS) analytical method based on linear retention indexes for the expeditious identification of NPS without the need of analytical standards. The method was optimized and validated for 22 different drugs covering ten categories: phenethylamines (amphetamine, MDMA, methamphetamine, 25C–NBOMe, 2-FA, 5-MAPB), “classic” drugs (cocaine, ephedrine, THC, heroine), synthetic cannabinoids (JWH-081, AM-2201, JWH-210, MAM-2201), piperazines (o-CPP, p-CPP), tryptamines (5-MeO-MiPT), synthetic cathinones (N ethylpentylone), synthetic opioids (U-47700), aminoindanes (5-IAI), plant-based substances (Salvinorin-A) and “other” (methiopropamine). Three figures of merit (Selectivity, Precision and Robustness) were eval uated with retention index confidence intervals ranging from 0.5 to 20.6 i.u. and relative standard de viations in the range of 0.003% to 0.027% (repeatability) and 0.02% to 0.29% (intermediate precision). A general equation for estimating linear retention index variation as a function of retention time tolerance has been derived. This result in combination with a 26−3 III fractional factorial design allowed to conclude column polarity to be only statistically relevant factor as compared to gas flow, split ratio, injection tem perature, temperature program offset and column brand.Instituto de Química (IQ)Programa de Pós-Graduação em QuímicaElsevier B.V.Brazilian Federal Police, National Institute of CriminalisticsBrazilian Health Regulatory AgencyUniversity of Brasília, Institute of ChemistryBrazilian Federal Police, National Institute of CriminalisticsBrazilian Federal Police, National Institute of CriminalisticsBrazilian Federal Police, National Institute of CriminalisticsUniversity of Brasília, Institute of ChemistryZacca, Jorge JardimGiudice, Gabriella HamúSouza, Mônica P.Caldas, Luíza N. B.Vieira, Maurício L.Machado, Ângelo Henirque de Lira2024-02-15T15:18:49Z2024-02-15T15:18:49Z2021info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleZACCA, Jorge J. et al. Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry. Journal of Chromatography A, [S. l.], v. 1636, 461783, 11 jan. 2021. DOI: https://doi.org/10.1016/j.chroma.2020.461783http://repositorio2.unb.br/jspui/handle/10482/47742https://doi.org/10.1016/j.chroma.2020.461783enghttps://www.sciencedirect.com/science/article/pii/S0021967320310578?via%3Dihubinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UnBinstname:Universidade de Brasília (UnB)instacron:UNB2024-02-15T15:35:36Zoai:repositorio.unb.br:10482/47742Repositório InstitucionalPUBhttps://repositorio.unb.br/oai/requestrepositorio@unb.bropendoar:2024-02-15T15:35:36Repositório Institucional da UnB - Universidade de Brasília (UnB)false
dc.title.none.fl_str_mv Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
title Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
spellingShingle Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
Zacca, Jorge Jardim
Cromatografia gasosa
Espectrometria de massa
Substâncias psicoativas
title_short Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
title_full Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
title_fullStr Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
title_full_unstemmed Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
title_sort Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry
author Zacca, Jorge Jardim
author_facet Zacca, Jorge Jardim
Giudice, Gabriella Hamú
Souza, Mônica P.
Caldas, Luíza N. B.
Vieira, Maurício L.
Machado, Ângelo Henirque de Lira
author_role author
author2 Giudice, Gabriella Hamú
Souza, Mônica P.
Caldas, Luíza N. B.
Vieira, Maurício L.
Machado, Ângelo Henirque de Lira
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Brazilian Federal Police, National Institute of Criminalistics
Brazilian Health Regulatory Agency
University of Brasília, Institute of Chemistry
Brazilian Federal Police, National Institute of Criminalistics
Brazilian Federal Police, National Institute of Criminalistics
Brazilian Federal Police, National Institute of Criminalistics
University of Brasília, Institute of Chemistry
dc.contributor.author.fl_str_mv Zacca, Jorge Jardim
Giudice, Gabriella Hamú
Souza, Mônica P.
Caldas, Luíza N. B.
Vieira, Maurício L.
Machado, Ângelo Henirque de Lira
dc.subject.por.fl_str_mv Cromatografia gasosa
Espectrometria de massa
Substâncias psicoativas
topic Cromatografia gasosa
Espectrometria de massa
Substâncias psicoativas
description New Psychoactive Substances (NPS) are quickly developing to evade legislation, posing unprecedented challenges to public health and law enforcement authorities around the world. The aim of this work was to develop and validate a simple and reliable non-target gas chromatography/mass spectrometry (GC/MS) analytical method based on linear retention indexes for the expeditious identification of NPS without the need of analytical standards. The method was optimized and validated for 22 different drugs covering ten categories: phenethylamines (amphetamine, MDMA, methamphetamine, 25C–NBOMe, 2-FA, 5-MAPB), “classic” drugs (cocaine, ephedrine, THC, heroine), synthetic cannabinoids (JWH-081, AM-2201, JWH-210, MAM-2201), piperazines (o-CPP, p-CPP), tryptamines (5-MeO-MiPT), synthetic cathinones (N ethylpentylone), synthetic opioids (U-47700), aminoindanes (5-IAI), plant-based substances (Salvinorin-A) and “other” (methiopropamine). Three figures of merit (Selectivity, Precision and Robustness) were eval uated with retention index confidence intervals ranging from 0.5 to 20.6 i.u. and relative standard de viations in the range of 0.003% to 0.027% (repeatability) and 0.02% to 0.29% (intermediate precision). A general equation for estimating linear retention index variation as a function of retention time tolerance has been derived. This result in combination with a 26−3 III fractional factorial design allowed to conclude column polarity to be only statistically relevant factor as compared to gas flow, split ratio, injection tem perature, temperature program offset and column brand.
publishDate 2021
dc.date.none.fl_str_mv 2021
2024-02-15T15:18:49Z
2024-02-15T15:18:49Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv ZACCA, Jorge J. et al. Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry. Journal of Chromatography A, [S. l.], v. 1636, 461783, 11 jan. 2021. DOI: https://doi.org/10.1016/j.chroma.2020.461783
http://repositorio2.unb.br/jspui/handle/10482/47742
https://doi.org/10.1016/j.chroma.2020.461783
identifier_str_mv ZACCA, Jorge J. et al. Development and validation of analytical method for identification of new psychoactive substances using linear retention indexes and gas chromatography-mass spectrometry. Journal of Chromatography A, [S. l.], v. 1636, 461783, 11 jan. 2021. DOI: https://doi.org/10.1016/j.chroma.2020.461783
url http://repositorio2.unb.br/jspui/handle/10482/47742
https://doi.org/10.1016/j.chroma.2020.461783
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv https://www.sciencedirect.com/science/article/pii/S0021967320310578?via%3Dihub
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier B.V.
publisher.none.fl_str_mv Elsevier B.V.
dc.source.none.fl_str_mv reponame:Repositório Institucional da UnB
instname:Universidade de Brasília (UnB)
instacron:UNB
instname_str Universidade de Brasília (UnB)
instacron_str UNB
institution UNB
reponame_str Repositório Institucional da UnB
collection Repositório Institucional da UnB
repository.name.fl_str_mv Repositório Institucional da UnB - Universidade de Brasília (UnB)
repository.mail.fl_str_mv repositorio@unb.br
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