Forensic Chemistry最新文献_第9页

Assessment of performance rates on the elemental comparison of small and irregular glass fragments using µ-XRF and LIBS 利用 µ-XRF 和 LIBS 对小型和不规则玻璃碎片进行元素比较的性能评估

IF 2.7 3区医学

Forensic Chemistry Pub Date : 2024-03-04 DOI: 10.1016/j.forc.2024.100567

Oriana Ovide , Ruthmara Corzo , Tatiana Trejos

{"title":"Assessment of performance rates on the elemental comparison of small and irregular glass fragments using µ-XRF and LIBS","authors":"Oriana Ovide , Ruthmara Corzo , Tatiana Trejos","doi":"10.1016/j.forc.2024.100567","DOIUrl":"10.1016/j.forc.2024.100567","url":null,"abstract":"<div><p>This study describes a systematic assessment of the performance rates when analyzing small and irregular glass fragments using micro-X-ray Fluorescence Spectrometry (µ-XRF) and Laser Induced Breakdown Spectroscopy (LIBS). One hundred glass fragments were collected from the inner and outer panes of a vehicle windshield to assess the false exclusion rates. Additionally, 100 glass fragments originating from different vehicle windshields were used to evaluate the discrimination capabilities. To compare the effects of fragment size on the performance rates, half of the collected fragments were small (longest length between 0.4 mm and < 1 mm, and thickness greater than 0.4 mm for LIBS and 0.1 mm for μ-XRF), and the other half were full-thickness fragments (2 mm and greater). The study shows that precision deteriorates for small/irregular fragments and comparison items must have a similar size, shape, and thickness to minimize error rates. Thus, comparisons between full-thickness and small/irregular fragments should be avoided, regardless of the analytical method. Although this general concept is well known for µ-XRF, this effect was not previously reported as a concern for LIBS. Moreover, this study provides new sampling and comparison recommendations when using modern silicon drift detectors (SDD) and reduced fragment size. Using a 3 s (3 %RSD) comparison interval reduces the false exclusion rates to < 12 % for µ-XRF, and to < 4 % for LIBS when using either a 3 s or 4 s (3 % RSD) criterion. At least 4 known fragments are recommended for full thickness fragments and 6 to 9 known fragments for the small/irregular comparisons.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100567"},"PeriodicalIF":2.7,"publicationDate":"2024-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140074051","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

Application of bioluminescence assay to assess PCR carryover contamination in forensic DNA laboratories 应用生物发光检测法评估法医 DNA 实验室中的 PCR 携带污染

IF 2.7 3区医学

Forensic Chemistry Pub Date : 2024-03-03 DOI: 10.1016/j.forc.2024.100566

Tetsuya Satoh , Yukinobu Kutsuwada , Shota Inokuchi , Takenori Ishida , Takeshi Ikeda , Ryuichi Hirota , Akio Kuroda , Kazutoshi Matsumura , Susumu Iwase

{"title":"Application of bioluminescence assay to assess PCR carryover contamination in forensic DNA laboratories","authors":"Tetsuya Satoh , Yukinobu Kutsuwada , Shota Inokuchi , Takenori Ishida , Takeshi Ikeda , Ryuichi Hirota , Akio Kuroda , Kazutoshi Matsumura , Susumu Iwase","doi":"10.1016/j.forc.2024.100566","DOIUrl":"https://doi.org/10.1016/j.forc.2024.100566","url":null,"abstract":"<div><p>In forensic DNA testing, PCR-based multilocus short tandem repeat (STR) profiling kits, which have high sensitivity and discriminatory power, are generally used to analyze autosomal and Y-chromosomal DNA profiles. Forensic DNA laboratories require strict quality control for DNA testing, as contamination during analyses leads to incorrect interpretation of DNA profiles. Here, we aimed to apply bioluminescence assay to detect and monitor residual PCR products on laboratory work area and equipment surfaces by targeting dATP in the PCR product and allelic ladder marker. Two commercially available bioluminescence assay kits (CheckLite HS Plus and UltraSnap™) were examined for their sensitivity after confirming their reactivity to dATP. In the assay using CheckLite HS Plus, the lower detectable sample volumes were calculated as 10 pl of PCR product of GlobalFiler and PowerPlex Fusion and 1 pl of PCR product of Yfiler Plus and the allelic ladder marker of GlobalFiler, whereas those in the assay using UltraSnap™ were calculated as 1 nl of PCR product and allelic ladder marker. The sample volumes of these kits were lower than those detected through electrophoresis. Thus, the sensitivity of these kits was sufficient to control PCR carryover contamination in the post-PCR areas. Furthermore, residual PCR products in the post-PCR areas were continuously monitored using a bioluminescence assay. The results showed that the bioluminescence values increased after handling PCR samples for electrophoresis and decreased after decontamination. Therefore, we concluded that the bioluminescence assay is useful for assessing PCR carryover contamination in post-PCR processes in forensic DNA laboratories.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"38 ","pages":"Article 100566"},"PeriodicalIF":2.7,"publicationDate":"2024-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140031356","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

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 , Jeff Salyards , Sandra E. Rodriguez-Cruz , Jeremiah A. Morris , Darryl Creel , Joseph Zemmels , 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 , Darshil Patel , Wesley S. Burr , Clifford Samson , 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 , Lívia Rodrigues e Brito , Ramon Bezerra de Souza , Carlos Fernando Pessoa Monteiro Filho , Vagner Bezerra dos Santos , 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 , Tufan Guray , 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 , Timothy J. Biddle , Ebony Shand , Wendy A. Loughlin , Sarah L. Cresswell , Urs D. Wermuth , Sue E. Boyd , 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 , Jun Zhang , Kejian Huang , Xiaofeng Liu , Ning Yang , Junbo Li , 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

引用次数: 0