Forensic Chemistry最新文献

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Evidence-based evaluation of the analytical schemes in ASTM E2329-17 Standard Practice for Identification of Seized Drugs for methamphetamine samples 对 ASTM E2329-17 标准做法中鉴定甲基苯丙胺样本中缉获毒品的分析方案进行循证评估
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-20 DOI: 10.1016/j.forc.2024.100560
Jeremy S. Triplett , Jeff Salyards , Sandra E. Rodriguez-Cruz , Jeremiah A. Morris , Darryl Creel , Joseph Zemmels , Megan Grabenauer
{"title":"Evidence-based evaluation of the analytical schemes in ASTM E2329-17 Standard Practice for Identification of Seized Drugs for methamphetamine samples","authors":"Jeremy S. Triplett ,&nbsp;Jeff Salyards ,&nbsp;Sandra E. Rodriguez-Cruz ,&nbsp;Jeremiah A. Morris ,&nbsp;Darryl Creel ,&nbsp;Joseph Zemmels ,&nbsp;Megan Grabenauer","doi":"10.1016/j.forc.2024.100560","DOIUrl":"10.1016/j.forc.2024.100560","url":null,"abstract":"<div><p>This study involved 71 forensic seized drug laboratories analyzing 65 total samples; 17 were ground-truth positive (i.e., they contained methamphetamine or cocaine); 48 were ground-truth negative (i.e., they did not contain methamphetamine or cocaine). The positive samples were prepared at several target-analyte concentrations and combined with common cutting agents. The negative samples were designed to be challenging and prepared to contain positional isomers of methamphetamine. Participants were sent two different sample sets. In the first, they were directed to only use a single, pre-selected analytical technique. In the second, they were directed to use a pre-selected analytical scheme consisting of multiple techniques in compliance with ASTM E2329-17. The results of the study showed good accuracy; sensitivity was 1.000 for all analytical schemes with 1-specificity (the false-positive rate) ranging from 0.000 to 0.250 when ASTM E2329-17 compliant analytical schemes were used. When only a single technique was used, accuracy was generally not as good; sensitivity ranged from 1.000 to 0.091, and 1-specificity ranged from 0.000 to 0.245.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100560"},"PeriodicalIF":2.7,"publicationDate":"2024-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000122/pdfft?md5=225346e9241489ad729d17978e8db108&pid=1-s2.0-S2468170924000122-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139923091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identifying VOCs from human remains detectable in water using comprehensive two-dimensional gas chromatography 利用综合二维气相色谱法识别水中可检测到的人体遗骸挥发性有机化合物
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-20 DOI: 10.1016/j.forc.2024.100561
Jerika Ho , Darshil Patel , Wesley S. Burr , Clifford Samson , Shari L. Forbes
{"title":"Identifying VOCs from human remains detectable in water using comprehensive two-dimensional gas chromatography","authors":"Jerika Ho ,&nbsp;Darshil Patel ,&nbsp;Wesley S. Burr ,&nbsp;Clifford Samson ,&nbsp;Shari L. Forbes","doi":"10.1016/j.forc.2024.100561","DOIUrl":"10.1016/j.forc.2024.100561","url":null,"abstract":"<div><p>Understanding the volatile organic compounds (VOCs) emitted during human decomposition is crucial for search and recovery investigations and the development of improved human remains detection methods. However, the influence of water on human decomposition, and particularly the release of VOCs has received minimal attention compared to terrestrial scenarios. This knowledge gap is highly relevant for training human remains detection (HRD) dogs, as they are deployed in various scenarios, including land and water searches, yet little is known about the VOC profiles produced by human remains in these different environments.</p><p>The aim of this study was to establish a proof-of-concept methodology for collecting VOCs from submerged remains. Sorbent tubes and thin-film solid phase microextraction (TF-SPME) were utilized as neither have been studied for this purpose previously. Human remains were submerged in a tank of water. Headspace samples were collected by placing a metal hood over the tank to trap VOCs, which were then drawn into a sorbent tube via an air sampling pump. Water samples were collected for direct immersion utilizing TF-SPME membranes in the laboratory. Comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry combined with thermal desorption was employed to analyze both sample types. The sorbent tube method identified 42 compounds while the TF-SPME technique identified 34 compounds. Overall, this study successfully demonstrated the feasibility of both VOC collection and analysis methods for human remains decomposition in water.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100561"},"PeriodicalIF":2.7,"publicationDate":"2024-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000134/pdfft?md5=5d00b9169cac9aa2079730bdcde4d5d0&pid=1-s2.0-S2468170924000134-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139923088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Screen-printed electrode modified with bismuth film and chemometric techniques for on-site detection and classification of gunshot residues 用铋膜修饰的丝网印刷电极和化学计量技术用于现场检测枪弹残留物并进行分类
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-20 DOI: 10.1016/j.forc.2024.100563
Leandro Paulo da Silva , Lívia Rodrigues e Brito , Ramon Bezerra de Souza , Carlos Fernando Pessoa Monteiro Filho , Vagner Bezerra dos Santos , Licarion Pinto
{"title":"Screen-printed electrode modified with bismuth film and chemometric techniques for on-site detection and classification of gunshot residues","authors":"Leandro Paulo da Silva ,&nbsp;Lívia Rodrigues e Brito ,&nbsp;Ramon Bezerra de Souza ,&nbsp;Carlos Fernando Pessoa Monteiro Filho ,&nbsp;Vagner Bezerra dos Santos ,&nbsp;Licarion Pinto","doi":"10.1016/j.forc.2024.100563","DOIUrl":"10.1016/j.forc.2024.100563","url":null,"abstract":"<div><p>The analysis of gunshot residues (GSR) is important for forensic science to help understand what happened in a crime scene. Many works on this have been published; however, there are a number of questions that remain. An analytical method should ideally respond to these questions: 1 Can the residue from a shooting or the analysis present a false positive? 2. Is it possible to identify the gun used in a shooting and information about it such as caliber and type of ammunition used? An analysis, as well, must be precise, easy to use, reproducible and allowable on-site. To achieve these requirements, voltammograms registered on a portable potentiostat, and chemometrics analysis were used. Electroanalytical techniques provide meaningful chemical information about a sample. Chemometric tools make it possible to build models to identify even small differences and respond to these questions with data. A total of 90 GSR samples were collected with the help of the Institute of Criminalistics in the state of Pernambuco, Brazil. The GSR were taken from 3 types of firearms, 2 of them with distinct ammunition. To assess the risk of false positives, 45 non-shooting samples were analyzed. The model constructed achieved a classification accuracy of 100 % to respond to the question of false positives. There was an accuracy rate of over 85 % for the second question, of identifying information about the weapon. A blind test was performed and used to prove that the electroanalytical-chemometrics methodology was useful and effective for GSR forensic investigators, enabling the emission of reliable reports, and contributing to faster processing of legal proceedings.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100563"},"PeriodicalIF":2.7,"publicationDate":"2024-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139923244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Detection of para, ortho, meta-fluorofentanyl by surface-enhanced Raman spectroscopy 利用表面增强拉曼光谱检测对位、正位和偏氟芬太尼
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-19 DOI: 10.1016/j.forc.2024.100559
Sevde Dogruer Erkok , Tufan Guray , Bruce McCord
{"title":"Detection of para, ortho, meta-fluorofentanyl by surface-enhanced Raman spectroscopy","authors":"Sevde Dogruer Erkok ,&nbsp;Tufan Guray ,&nbsp;Bruce McCord","doi":"10.1016/j.forc.2024.100559","DOIUrl":"10.1016/j.forc.2024.100559","url":null,"abstract":"<div><p>The abuse of fentanyl and fentanyl analogs is becoming a global problem, with over 70,000 deaths reported in the USA, and there is evidence of its abuse beginning to appear in Europe and other areas. Fentanyl is 100 times more potent than morphine, and there are fentanyl analogs that are even more dangerous. Therefore, detecting and differentiating fentanyl isomers is critical in tracking this epidemic of drug use. Surface-enhanced Raman spectroscopy (SERS) is a useful method for detecting fentanyl isomers due to its capability of yielding spectroscopic fingerprints of the analytes. In this study, theoretical and experimental methods were compared in order to distinguish para fluorofentanyl, which is one of the most common fentanyl analogues in illicit mixtures, and its isomers ortho fluorofentanyl and meta fluorofentanyl. First, density functional theory (DFT) calculations were performed to define which vibrational peaks can be utilized in the identity of these analogs. The spectra obtained from the theoretical calculations were then compared with the spectra obtained from the Normal Raman and SERS experiments. To enhance sensitivity, bimetallic gold/silver nanostars (Au/Ag NS) were synthesized to provide the SERS enhancement along with magnesium chloride or potassium bromide aggregating agents with limits of detection in the low ng/mL range. The LOD value for para-fluorofentanyl is 3 ng/mL. The obtained results show that SERS is a successful technique to detect isomers of fentanyl analogs.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100559"},"PeriodicalIF":2.7,"publicationDate":"2024-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139923086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Implementation of SPME and rapid GC–MS as a screening approach for forensic fire debris applications 采用 SPME 和快速 GC-MS 作为火灾残骸法证应用的筛选方法
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-19 DOI: 10.1016/j.forc.2024.100562
Briana A. Capistran
{"title":"Implementation of SPME and rapid GC–MS as a screening approach for forensic fire debris applications","authors":"Briana A. Capistran","doi":"10.1016/j.forc.2024.100562","DOIUrl":"10.1016/j.forc.2024.100562","url":null,"abstract":"<div><p>Analysis of ignitable liquids in fire debris samples can be a time-consuming process, from extraction of volatile compounds to instrumental analysis. Rapid gas chromatography-mass spectrometry (GC–MS) is a screening technique that can be utilized prior to confirmatory GC–MS analysis to provide an informative screening approach and possibly reduce the need to further analyze negative samples. Though rapid GC–MS is fast (less than two minutes), extraction techniques such as passive headspace extraction remain a bottleneck for decreasing overall workflow times. In this work, solid phase microextraction (SPME) was implemented with rapid GC–MS for ignitable liquid analysis for a faster, more sensitive screening approach compared to extraction with passive headspace. Using optimized inlet conditions, limits of detection as low as 27 ng/mL per compound were achieved. Gasoline and diesel fuel were extracted and analyzed, and major compounds in each liquid were identified in the resulting chromatograms. Extracted ion profiles (EIPs) and deconvolution methods were useful for additional compound identifications. Lastly, the SPME-rapid GC–MS workflow was extended to the analysis of gasoline and diesel fuel in mock burn samples using carpet and wood substrates. From SPME sample extraction to rapid GC–MS instrumental analysis and data processing, the total workflow for a single sample was reduced to under 20 min. These results indicate that SPME is a suitable injection technique for rapid GC–MS to provide a fast and sensitive screening approach for fire debris applications.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100562"},"PeriodicalIF":2.7,"publicationDate":"2024-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139923276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Forensic implications of novel synthesis of cathinone derivatives by Neber and modified Neber rearrangements 通过内伯尔和改良内伯尔重排法合成卡西酮衍生物的新方法的法医学意义
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-17 DOI: 10.1016/j.forc.2024.100558
Cohan Huxley , Timothy J. Biddle , Ebony Shand , Wendy A. Loughlin , Sarah L. Cresswell , Urs D. Wermuth , Sue E. Boyd , Mark J. Coster
{"title":"Forensic implications of novel synthesis of cathinone derivatives by Neber and modified Neber rearrangements","authors":"Cohan Huxley ,&nbsp;Timothy J. Biddle ,&nbsp;Ebony Shand ,&nbsp;Wendy A. Loughlin ,&nbsp;Sarah L. Cresswell ,&nbsp;Urs D. Wermuth ,&nbsp;Sue E. Boyd ,&nbsp;Mark J. Coster","doi":"10.1016/j.forc.2024.100558","DOIUrl":"https://doi.org/10.1016/j.forc.2024.100558","url":null,"abstract":"<div><p>Cathinone and its synthetic analogues are known compounds of clandestine interest. Investigation into novel pathways for synthesising cathinone derivatives has potential for forensic analysis and tracking. The known Neber rearrangement of commercially available phenylpropanones that were evaluated yielded amides described herein and was not viable for clandestine synthesis of cathinone derivatives. Whereas the known modified Neber rearrangement of phenylpropanones that were evaluated via stable aziridine salts and subsequent treatment with acid, gave cathinone derivatives described herein in poor to low yields (2–17%). Assessment of the reagents, equipment, and procedures required for the modified Neber rearrangement was considered as only viable for more advanced clandestine operations. An improved understanding of the potential by-product formation from the modified Neber rearrangement was determined by density functional theory (DFT) of hydrazone to azirine to aziridine intermediates and attempted dynamic NMR spectroscopy of a hydrazone described herein. The substantially lower energy of the azirine step compared to the starting hydrazonium salt step of the reaction mechanism implied that the azirine structure was a short-lived intermediate, and unable to be experimentally determined. New mass-spectral fragmentation data of compounds described herein was reported, where differentiation was observed for some individual compounds at the GC-EIMS fragmentation pattern level. From this study, individual mass-spectrometry fragmentation of key compounds evaluated from the modified Neber rearrangement of commercially available phenylpropanones indicates potential for forensic profiling analysis applications.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100558"},"PeriodicalIF":2.7,"publicationDate":"2024-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000109/pdfft?md5=47097e76d8d94749cf39c0c39dbf9de7&pid=1-s2.0-S2468170924000109-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139908276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of electron ionization mass spectrometric fragmentation pattern of indole- and indazole-type synthetic cannabinoids 吲哚和吲唑类合成大麻素的电子电离质谱碎片模式研究
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-08 DOI: 10.1016/j.forc.2024.100557
Xuan Luo , Jun Zhang , Kejian Huang , Xiaofeng Liu , Ning Yang , Junbo Li , Qiulian Luo
{"title":"Investigation of electron ionization mass spectrometric fragmentation pattern of indole- and indazole-type synthetic cannabinoids","authors":"Xuan Luo ,&nbsp;Jun Zhang ,&nbsp;Kejian Huang ,&nbsp;Xiaofeng Liu ,&nbsp;Ning Yang ,&nbsp;Junbo Li ,&nbsp;Qiulian Luo","doi":"10.1016/j.forc.2024.100557","DOIUrl":"https://doi.org/10.1016/j.forc.2024.100557","url":null,"abstract":"<div><p>A complete database is the key to using mass spectrometry (MS) to identify the structures of organic substances. However, rapid derivation of new psychoactive substances (NPS) has made it difficult for law enforcement agencies in various countries to identify NPS structures using MS. The fragments and cleavage patterns of MS contain much structural information. Therefore, it is possible to overcome the limitations of existing MS databases for NPS structure identification by analyzing the original MS data. This study aimed to investigate the major subclasses of synthetic cannabinoid NPS (SCs) and indole- and indazole-type SCs. A total of 166 indole- and indazole-type SCs were divided into three groups based on differences in the C-3 position. Subsequently, the MS data under the electron ionization source were systematically summarized. Then, a three-step procedure, “core → tail (R<sub>1</sub>) → linker and linked group (R<sub>2</sub>)”, was established for the structural analysis of indole- and indazole-type SCs. The subclasses were determined using the characteristic fragments F2–F4, which were closely associated with the core, indole, or indazole. Next, the seven types of the tail (R<sub>1</sub>) were determined using the mass-to-charge ratios of the six characteristic fragments and F1. Lastly, the 12 combinations of the linker and the linked group (R<sub>2</sub>) were identified. Using this procedure, the classes of the core, tail, linker, and linked group in the structures of indole- and indazole-type SCs can be rapidly determined without the limitations of MS databases, thereby laying the foundation for the final determination of the exact structures.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100557"},"PeriodicalIF":2.7,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000092/pdfft?md5=3a1edf4940de846491cec8766dfdff50&pid=1-s2.0-S2468170924000092-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139719038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent progress in the application of chemical attribution in forensic profiles 在法证剖析中应用化学归因的最新进展
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-07 DOI: 10.1016/j.forc.2024.100556
Zixuan Zhang, Jin Wang, Xiaogang Lu, Hongmei Wang
{"title":"Recent progress in the application of chemical attribution in forensic profiles","authors":"Zixuan Zhang,&nbsp;Jin Wang,&nbsp;Xiaogang Lu,&nbsp;Hongmei Wang","doi":"10.1016/j.forc.2024.100556","DOIUrl":"https://doi.org/10.1016/j.forc.2024.100556","url":null,"abstract":"<div><p>The utilization of chemical attribution technology could play a pivotal role in the collection of forensic evidence. By gathering and analyzing samples, it becomes possible to obtain characteristic chemical information that indicates their identity, thereby enabling the traceability of cases. This research strategy relies on analytical detection methods such as GC–MS, LC-MS, ATR-FTIR and NMR, as well as chemometrics to classify data. In recent years, it has been applied to the attribution research of many hazardous chemicals, which is of great significance in the field of chemical safety.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100556"},"PeriodicalIF":2.7,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000080/pdfft?md5=71aa4af141d42b00f109f611e596cd29&pid=1-s2.0-S2468170924000080-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139713783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Use of statistical design of experiments (DoE) in Forensic Analysis: A tailored review 在法医分析中使用统计实验设计 (DoE):有针对性的审查
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-02-01 DOI: 10.1016/j.forc.2024.100554
Vítor Luiz Caleffo Piva Bigão , Bruno Ruiz Brandão da Costa , Jonas Joaquim Mangabeira da Silva , Bruno Spinosa De Martinis , Delia Rita Tapia-Blácido
{"title":"Use of statistical design of experiments (DoE) in Forensic Analysis: A tailored review","authors":"Vítor Luiz Caleffo Piva Bigão ,&nbsp;Bruno Ruiz Brandão da Costa ,&nbsp;Jonas Joaquim Mangabeira da Silva ,&nbsp;Bruno Spinosa De Martinis ,&nbsp;Delia Rita Tapia-Blácido","doi":"10.1016/j.forc.2024.100554","DOIUrl":"10.1016/j.forc.2024.100554","url":null,"abstract":"<div><p>Forensic Analysis is strongly linked to Analytical Chemistry. Developing and optimizing methodologies to extract target substances from and to investigate the presence of analytes in bodily fluids is paramount, albeit a challenging task. In this scenario, the use of Statistical Design of Experiments (DoE) and Response Surface Methodology (RSM) tools in Forensic Analysis has increased over the last years. Therefore, understanding how these tools are being employed to identify, to determine, and to quantify toxicants in biological specimens has become relevant. This review shows two important findings from the forty reviewed papers: almost all the studies used DoE/RSM in the sample preparation step, but the chromatographic and detection phases of the analytical scheme were little explored. Additionally, the papers focused mainly on optimizing the analytical peak signals of the target compounds, suggesting that detectability was the major concern when multivariate techniques were applied to develop the method. We hope this review will encourage future researchers in this area to use more design and optimization tools in a global analytical method development scheme, so that fewer but efficient assays can be conducted, contributing to shortened analysis time and fewer experimentation requirements such as smaller amounts of sample and reagents.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100554"},"PeriodicalIF":2.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000067/pdfft?md5=041e6e5b285931525ce6e56790b73fd9&pid=1-s2.0-S2468170924000067-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139657576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fast high-resolution mass spectrometry in the triage investigation of poisonings by pesticides in unusual samples - a case study 快速高分辨率质谱法在异常样本农药中毒分流调查中的应用--案例研究
IF 2.7 3区 医学
Forensic Chemistry Pub Date : 2024-01-28 DOI: 10.1016/j.forc.2024.100555
Gleicielle Tozzi Wurzler , Ananda da Silva Antonio , Cecília de Andrade Bhering , Aline Machado Pereira Ajuz , Diego Rissi Carvalhosa , Antônio Celso Jardim , Marc Yves Chalom , Francisco Radler de Aquino Neto , Gabriela Vanini
{"title":"Fast high-resolution mass spectrometry in the triage investigation of poisonings by pesticides in unusual samples - a case study","authors":"Gleicielle Tozzi Wurzler ,&nbsp;Ananda da Silva Antonio ,&nbsp;Cecília de Andrade Bhering ,&nbsp;Aline Machado Pereira Ajuz ,&nbsp;Diego Rissi Carvalhosa ,&nbsp;Antônio Celso Jardim ,&nbsp;Marc Yves Chalom ,&nbsp;Francisco Radler de Aquino Neto ,&nbsp;Gabriela Vanini","doi":"10.1016/j.forc.2024.100555","DOIUrl":"10.1016/j.forc.2024.100555","url":null,"abstract":"<div><p>Pesticides play a pivotal role in the development of agriculture, as they prevent the proliferation of pests and disease vectors in crops. However, there are several controversies regarding their use, as some are highly toxic to humans and frequently used illegally as chemical weapons. In this study, two criminal cases of alleged pesticide poisoning were investigated to establish whether there was an attempted murder (Case 1) and to determine the cause of death (Case 2). A sample of gastric content (Case 1) was extracted with QuEChERS salts, whereas the samples of Case 2, which include hair, nail and an aliquot of gastric contents were analysed without previous extraction. All samples (extracted and unextracted) from Case 1 were analysed by ESI and DART ionization using an Orbitrap mass spectrometer. Case 2 samples were analysed using only DART-HRMS, due to the limited sample available. The ESI-HRMS technique did not detect pesticides in the unextracted gastric content. However, terbufos and terbufos sulfoxide were identified in the gastric content extract. On the other hand, DART-HRMS confirmed the presence of terbufos sulfoxide and carbofuran in the unextracted gastric content and detected carbofuran in the nail sample. The hair sample exhibit no positive results for any exogenous substance. The results suggest that both techniques efficiently provide insight for further confirmatory analysis in the elucidation of forensic cases. However, the DART source seems to be an approach that circumvents the need for pre-treatment of solid and liquid samples.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100555"},"PeriodicalIF":2.7,"publicationDate":"2024-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000079/pdfft?md5=5e3e6b918a0a65363367930ca47bdb26&pid=1-s2.0-S2468170924000079-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139578565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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