Potencialidades da espectrometria no infravermelho e quimiometria para caracterização de perfis de medicamentos apreendidos

A Organização Mundial da Saúde estima que cerca de 10% dos medicamentos comercializados mundialmente são falsificados ou fora das especificações, principalmente em países cujo os índices de desenvolvimento são relativamente baixos. Esses medicamentos de baixa qualidade podem causar sérios danos à saúde de seus consumidores, visto que não existe um controle de qualidade adequado em sua produção. Este trabalho teve como objetivo desenvolvimento de um método rápido e simples de análise dos perfis dos medicamentos apreendidos pela Polícia Federal do Rio Grande do Sul através da espectroscopia no infravermelho com transformada de Fourier por reflexão total atenuada (ATR-FTIR) e no infravermelho próximo (NIR) associada a quimiometria. Para isso, foram aplicados métodos de análise multivariada não supervisionados e supervisionados HCA, PCA, kNN, SIMCA e PLS-DA em dados de 42 duas amostras de cinco classes de medicamentos, previamente analisadas por GC-MS. Com o método i-PCA, foi selecionada a região espectral de interesse tanto nos dados de ATR-FTIR quanto de NIR. As análises exploratórias HCA e PCA indicaram que amostras que formavam uma das classes, pois apresentavam a mesma mistura de compostos (lidocaína e cafeína), foram produzidas em diferentes condições, sendo, provavelmente, de fabricantes e/ou lotes distintos. O método de classificação por PLS-DA foi o mais eficiente no conjunto de dados de ATR-FTIR e o SIMCA com os dados de NIR. Portanto, métodos espectroscópicos ATR-FTIR e NIR associados a quimiometria permitem o desenvolvimento de técnicas de triagem rápidas, de baixo custo e sem preparo de amostras, auxiliando na detecção dos perfis de medicamentos com suspeita de falsificação.The World Health Organization estimates that about 10% of medicines sold worldwide are counterfeit or out of specification, mainly in countries whose development rates are relatively low. Low-quality drugs can cause severe damage to the health of their consumers since there is no adequate quality control in their production. This work aimed to develop a fast and easy method for analyzing the profiles of drugs seized by the Federal Police of Rio Grande do Sul through infrared spectroscopy with Fourier transform by attenuated total reflection (ATR-FTIR) and in the near-infrared (NIR) associated with chemometrics. For this, unsupervised and supervised multivariate analysis methods HCA, PCA, kNN, SIMCA, and PLS-DA were applied to data from 42 samples from five classes of drugs, previously determined by identifying the active principles by GC-MS of each one of the samples. With the iPCA method, a spectral region of interest was selected in both the ATR-FTIR and NIR data. The exploratory analyzes HCA and PCA indicated that samples that formed one of the classes, as they presented the same active ingredients (lidocaine and caffeine), were produced under different conditions, probably from distinct manufacturers or batches. The exploratory analyzes HCA and PCA indicated that samples that formed one of the classes, as they presented the same mixture of compounds (lidocaine and caffeine), were produced under different conditions, probably from different manufacturers or batches. The PLS-DA classification method was the most efficient in both the ATR-FTIR and NIR data sets. Therefore, ATR-FTIR and NIR spectroscopic methods associated with chemometrics allow the development of fast, low-cost screening techniques without sample preparation, assisting the detection of drug profiles with suspected counterfeiting

Main compounds and major methods in latent fingermark aging analysis : a short review

Fingermarks are a complex biological matrix with variability factors that change in the same donor, depending on the moment of collection, and in different donors, according to age, sex and routine. Thus, they can still undergo alterations related to the deposition surface, the environment, and the variable that connects all those mentioned: the action of time. In Forensic Science, time is a important variable to situate the crime events. This review proposes a classification in the temporal estimation research of fingermarks, dividing them into Temporal Preservation Analysis (TPA) and Temporal Aging Analysis (TAA). In TPA studies, the components in fingermark residues undergo a few changes over time, tending to stability after a certain period. Those are interesting targets to identify possible exogenous components, such as firearm residues, illegal substances and contaminants related to particularity of forensic cases. In TAA studies, a time estimation related to the fingermarks age can be established. In this case, the time elapsed from its deposition until the forensic processing will vary according to the component classes degradation. Endogenous and exogenous substances that are demonstrably present in one donor and that undergo changes over time will, resulting be demonstrated by a decrease in intensity and/or formation of other substances, and those are good targets for this type of study. The same analysis can have both proposals and the instrumental method available will enable the extraction of information relevant to the sample. The purpose of this study is to demonstrate how important is to identify fingermarks components as evidence beyond the ridge pattern and to list the main instrumental methods used in the analysis of fingermark degradation

Produção de biodiesel por transesterificação enzimática in situ em solvente orgânico a partir da biomassa de Desmodesmus sp.

Um dos materiais alternativos mais investigados atualmente para a produção de biodiesel são as microalgas. O presente trabalho teve como objetivo a avaliação do método de transesterificação enzimática in situ da microalga Desmodesmus sp. em solvente orgânico, acompanhando a reação através do monitoramento on-line com sonda de infravermelho e cromatografia gasosa. Dois ensaios foram realizados em condições distintas para efeito comparativo. Baseado nos resultados obtidos por espectroscopia e cromatografia, bem como nas propriedades calculadas a partir do perfil cromatográfico, pode-se concluir que é possível a produção de biodiesel in situ a partir de biomassa de microalgas, reduzindo a etapa de extração de óleo

Produção de biodiesel por transesterificação enzimática in situ em solvente orgânico a partir da biomassa de Desmodesmus sp.

Um dos materiais alternativos mais investigados atualmente para a produção de biodiesel são as microalgas. O presente trabalho teve como objetivo a avaliação do método de transesterificação enzimática in situ da microalga Desmodesmus sp. em solvente orgânico, acompanhando a reação através do monitoramento on-line com sonda de infravermelho e cromatografia gasosa. Dois ensaios foram realizados em condições distintas para efeito comparativo. Baseado nos resultados obtidos por espectroscopia e cromatografia, bem como nas propriedades calculadas a partir do perfil cromatográfico, pode-se concluir que é possível a produção de biodiesel in situ a partir de biomassa de microalgas, reduzindo a etapa de extração de óleo

The Main Compounds and Major Methods in Latent Fingermark Aging Analysis: a Short Review

Fingermarks are a complex biological matrix with variability factors that change in the same donor, depending on the moment of collection, and in different donors, according to age, sex and routine. Thus, they can still undergo alterations related to the deposition surface, the environment, and the variable that connects all those mentioned: the action of time. In Forensic Science, time is a important variable to situate the crime events. This review proposes a classification in the temporal estimation research of fingermarks, dividing them into Temporal Preservation Analysis (TPA) and Temporal Aging Analysis (TAA). In TPA studies, the components in fingermark residues undergo a few changes over time, tending to stability after a certain period. Those are interesting targets to identify possible exogenous components, such as firearm residues, illegal substances and contaminants related to particularity of forensic cases. In TAA studies, a time estimation related to the fingermarks age can be established. In this case, the time elapsed from its deposition until the forensic processing will vary according to the component classes degradation. Endogenous and exogenous substances that are demonstrably present in one donor and that undergo changes over time will, resulting be demonstrated by a decrease in intensity and/or formation of other substances, and those are good targets for this type of study. The same analysis can have both proposals and the instrumental method available will enable the extraction of information relevant to the sample. The purpose of this study is to demonstrate how important is to identify fingermarks components as evidence beyond the ridge pattern and to list the main instrumental methods used in the analysis of fingermark degradation

The Main Compounds and Major Methods in Latent Fingermark Aging Analysis: a Short Review

Fingermarks are a complex biological matrix with variability factors that change in the same donor, depending on the moment of collection, and in different donors, according to age, sex and routine. Thus, they can still undergo alterations related to the deposition surface, the environment, and the variable that connects all those mentioned: the action of time. In Forensic Science, time is a important variable to situate the crime events. This review proposes a classification in the temporal estimation research of fingermarks, dividing them into Temporal Preservation Analysis (TPA) and Temporal Aging Analysis (TAA). In TPA studies, the components in fingermark residues undergo a few changes over time, tending to stability after a certain period. Those are interesting targets to identify possible exogenous components, such as firearm residues, illegal substances and contaminants related to particularity of forensic cases. In TAA studies, a time estimation related to the fingermarks age can be established. In this case, the time elapsed from its deposition until the forensic processing will vary according to the component classes degradation. Endogenous and exogenous substances that are demonstrably present in one donor and that undergo changes over time will, resulting be demonstrated by a decrease in intensity and/or formation of other substances, and those are good targets for this type of study. The same analysis can have both proposals and the instrumental method available will enable the extraction of information relevant to the sample. The purpose of this study is to demonstrate how important is to identify fingermarks components as evidence beyond the ridge pattern and to list the main instrumental methods used in the analysis of fingermark degradation

The Main Compounds and Major Methods in Latent Fingermark Aging Analysis: a Short Review

Fingermarks are a complex biological matrix with variability factors that change in the same donor, depending on the moment of collection, and in different donors, according to age, sex and routine. Thus, they can still undergo alterations related to the deposition surface, the environment, and the variable that connects all those mentioned: the action of time. In Forensic Science, time is a important variable to situate the crime events. This review proposes a classification in the temporal estimation research of fingermarks, dividing them into Temporal Preservation Analysis (TPA) and Temporal Aging Analysis (TAA). In TPA studies, the components in fingermark residues undergo a few changes over time, tending to stability after a certain period. Those are interesting targets to identify possible exogenous components, such as firearm residues, illegal substances and contaminants related to particularity of forensic cases. In TAA studies, a time estimation related to the fingermarks age can be established. In this case, the time elapsed from its deposition until the forensic processing will vary according to the component classes degradation. Endogenous and exogenous substances that are demonstrably present in one donor and that undergo changes over time will, resulting be demonstrated by a decrease in intensity and/or formation of other substances, and those are good targets for this type of study. The same analysis can have both proposals and the instrumental method available will enable the extraction of information relevant to the sample. The purpose of this study is to demonstrate how important is to identify fingermarks components as evidence beyond the ridge pattern and to list the main instrumental methods used in the analysis of fingermark degradation

The Main Compounds and Major Methods in Latent Fingermark Aging Analysis: a Short Review

Fingermarks are a complex biological matrix with variability factors that change in the same donor, depending on the moment of collection, and in different donors, according to age, sex and routine. Thus, they can still undergo alterations related to the deposition surface, the environment, and the variable that connects all those mentioned: the action of time. In Forensic Science, time is a important variable to situate the crime events. This review proposes a classification in the temporal estimation research of fingermarks, dividing them into Temporal Preservation Analysis (TPA) and Temporal Aging Analysis (TAA). In TPA studies, the components in fingermark residues undergo a few changes over time, tending to stability after a certain period. Those are interesting targets to identify possible exogenous components, such as firearm residues, illegal substances and contaminants related to particularity of forensic cases. In TAA studies, a time estimation related to the fingermarks age can be established. In this case, the time elapsed from its deposition until the forensic processing will vary according to the component classes degradation. Endogenous and exogenous substances that are demonstrably present in one donor and that undergo changes over time will, resulting be demonstrated by a decrease in intensity and/or formation of other substances, and those are good targets for this type of study. The same analysis can have both proposals and the instrumental method available will enable the extraction of information relevant to the sample. The purpose of this study is to demonstrate how important is to identify fingermarks components as evidence beyond the ridge pattern and to list the main instrumental methods used in the analysis of fingermark degradation