Validation, Uncertainty, and Quality Control of Qualitative Analysis of Tear Gas Weapons by Gas Chromatography-Mass Spectrometry

Silva, Ricardo J.N. Bettencourt da; Silveira, D. M.; Camões, Maria Filomena; Borges, Carlos; Salgueiro, Pedro A.

doi:10.1080/00032719.2013.832274

Cited by 8 publications

(2 citation statements)

References 6 publications

(13 reference statements)

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“…Equivalent Monte Carlo simulations can be performed for RRT, and the simulation of independent RRT and AR allows modeling d(RRT) and d(AR). There is no need to use the MCM for modeling d(RT) because RT has a normal distribution and d(RT) is also normal with a mean equivalent to 0 and a standard deviation larger than the standard deviation of RT. , …”

Section: Theorymentioning

confidence: 99%

Assessment of the Quality of Doping Substances Identification in Urine by GC/MS/MS

Narciso

Luz²,

Silva

2019

Anal. Chem.

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Direct control of doping in sports is based on the analysis of active substances and/or their metabolites in urine samples of the athletes by GC/MSn or LC/MSn. The World Anti-Doping Agency, WADA, defined criteria for the agreement between retention times, RT, or relative retention times, RRT, and abundance ratios, AR, of characteristic ions of the mass spectrum of the analyte in a calibrator (positive control) and the sample. Strict criteria for confirming analyte presence were defined to reduce false positive results rates, FP. However, these criteria can lead to high rates of false negative results, FN. This work presents a methodology to define statistically sound criteria for the agreement between RRT and AR that allow keeping the FN under control. This work also determined the FP of identifications. The statistical criteria were set from Monte Carlo simulations of correlated RT and ion abundances. The simulation of AR and signal noise was also used to estimate the FN and FP of identifications based on the criteria defined by WADA. The developed tools were successfully applied to the control of nine doping substances in urine samples by GC/MS/MS. The estimated FN were tested from independent experimental tests proving estimates are accurate. The criteria defined by WADA are associated with extremely low FP but, in some cases, associated with FN much larger than 50%. The statistically sound identification criteria allow a more convenient balance between FN and FP. The user-friendly spreadsheet used in this work is made available as Supporting Information.

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Section: Theorymentioning

confidence: 99%

Assessment of the Quality of Doping Substances Identification in Urine by GC/MS/MS

Narciso

Luz²,

Silva

2019

Anal. Chem.

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“…No contexto da química analítica, a determinação de confiança e comparabilidade do resultado é usualmente realizada pela avaliação de parâmetros gerais de desempenho do método analítico, tais como seletividade/especificidade, linearidade e faixa linear, precisão, exatidão, limite de detecção/quantificação e robustez 1,4 . Embora a abordagem proposta no guia da Eurachem/Citac 1 seja diferente da usualmente utilizada em química analítica, sua aplicação foi demonstrada na literatura científica em diferentes áreas como: análises toxicológicas 10 , análises físico-químicas [11][12][13][14] , análises biológicas e microbiológicas [15][16][17][18][19] , análises quantitativas de fármacos por métodos microbiológicos [20][21][22][23] , espectrofotométricos [24][25][26][27] , cromatográficos [28][29][30][31][32][33] e eletroforéticos 34 . Traple e colaboradores 35 publicaram em 2013 uma revisão considerando as etapas envolvidas na estimativa da incerteza de medição, as principais fontes de incerteza e sua aplicação na área de análises farmacêuticas.…”

Section: Introdução E Justificativaunclassified

Incerteza de medição na avaliação de desempenho de métodos analíticos e estratégias de melhoria com a aplicação do Analytical Quality by Design

Separovic¹

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À minha melhor amiga Talita, por estar presente nos momentos bons e ruins, pela amizade, companheirismo, apoio e por sempre torcer e acreditar em mim.À minha quase irmã Paula, por toda amizade, colaboração e apoio não somente ao longo da realização deste trabalho, mas na vida.Aos meus amigos e familiares, pela amizade, por toda ajuda e por acreditarem em mim.Ao meu orientador, Prof. Dr. Felipe, por todo ensinamento, atenção e por acreditar em meu potencial e sempre apoiar meu progresso. À Claudineia, Edgar, Elisabete e Rogério, pelos ensinamentos e assistência na realização prática deste trabalho. Ao Prof. Dr. André, por ser o primeiro a sugerir a mudança de nível do meu projeto, acreditando em seu potencial. Ao Prof. Dr. Ricardo da Universidade de Lisboa, pelas oportunidades de colaboração, ensinamentos e credibilidade. Ao secretário do programa, David, por toda assistência ao longo desses anos. À CAPES, pois o presente trabalho foi realizado com apoio da Coordenação de Aperfeiçoamento de Pessoal de Nível Superior -Brasil (CAPES) -Código de Financiamento 001. À Fapesp, pelo apoio financeiro concedido através do processo no 2018/25734-0, Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP). Finalmente, à Faculdade de Ciências Farmacêuticas, em especial ao Departamento de Farmácia, pela oportunidade de realização deste trabalho! "Somente a dose correta diferencia o veneno do remédio." Paracelso (1493-1541) RESUMO SEPAROVIC, L. Incerteza de medição na avaliação de desempenho de métodos analíticos e estratégias de melhoria com a aplicação do Analytical Quality by Design. 2021. 104p. Tese (Doutorado) -Faculdade de Ciências Farmacêuticas,

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Rapid screening of riot control agents using DART-TD-HRMS

Mörén,

Östin,

Larsson

et al. 2024

Forensic Toxicol

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Purpose Riot Control Agents (RCAs) are chemicals used in law enforcement for non-lethal riot control and use in conflicts between states that violates the Chemical Weapons Convention. OPCW's Scientific Advisory Board has identified sixteen potential RCAs including capsaicinoids, CS, and CR. RCAs may be misused for criminal purposes, so methods for detecting such misuse are needed. This study therefore evaluates the feasibility of a rapid, high throughput screening method of RCAs on surfaces (particularly clothing surfaces) by Direct Analysis in Real Time with a thermal desorption unit coupled to high-resolution mass spectrometry (DART-TD-HRMS). Methods A broadly applicable method for detecting potential RCAs was developed and tested on cotton fabric samples sprayed with self-defence sprays from an in-house reference stock. The feasibility of detecting RCAs by direct analysis of surface wipe samples placed in the DART source was also investigated. Results The method detected all sixteen RCAs and contaminated clothing were successfully screened for active agents in a reference collection of self-defence sprays. A pilot study also showed that RCAs can be detected by holding a sample directly in front of the DART source. Conclusion DART-TD-HRMS enables rapid and simple screening of RCAs on fabric samples enabling a high sample throughput.

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Validation, Uncertainty, and Quality Control of Qualitative Analysis of Tear Gas Weapons by Gas Chromatography-Mass Spectrometry

Cited by 8 publications

References 6 publications

Assessment of the Quality of Doping Substances Identification in Urine by GC/MS/MS

Assessment of the Quality of Doping Substances Identification in Urine by GC/MS/MS

Incerteza de medição na avaliação de desempenho de métodos analíticos e estratégias de melhoria com a aplicação do Analytical Quality by Design

Rapid screening of riot control agents using DART-TD-HRMS

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