Forensic Chemistry最新文献

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Development and evaluation of a nontargeted electrochemical surface-enhanced Raman spectroscopy (EC-SERS) screening method applied to forensic seized drug casework samples 开发和评估应用于法医缉获毒品案件样本的非靶向电化学表面增强拉曼光谱(EC-SERS)筛查方法
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-11-10 DOI: 10.1016/j.forc.2024.100621
Colby E. Ott , Alexis Wilcox , Sharon Kalb , Amber McConnell , Edward Sisco , Luis E. Arroyo
{"title":"Development and evaluation of a nontargeted electrochemical surface-enhanced Raman spectroscopy (EC-SERS) screening method applied to forensic seized drug casework samples","authors":"Colby E. Ott ,&nbsp;Alexis Wilcox ,&nbsp;Sharon Kalb ,&nbsp;Amber McConnell ,&nbsp;Edward Sisco ,&nbsp;Luis E. Arroyo","doi":"10.1016/j.forc.2024.100621","DOIUrl":"10.1016/j.forc.2024.100621","url":null,"abstract":"<div><div>Screening tests in forensic laboratories are a critical step in ensuring an efficient and effective analytical scheme for presumptive identification. Electrochemical surface-enhanced Raman spectroscopy (EC-SERS) represents a novel workflow that can be applied both in the laboratory and on-site as a fast, inexpensive, and selective approach to seized drug screening. Using cyclic voltammetry and a 785 nm Raman spectrometer, a nontargeted screen was developed using silver screen-printed electrodes and tested on a panel of common drugs of abuse and adulterants. Following characterization of the analyte panel, in-house binary and tertiary mixtures were assessed and the effectiveness of the developed EC-SERS method was tested using common score-based algorithms including correlation, hit-quality-index, spectral angle mapper, and correlation of the 1st derivative. For in-house blind samples, this approach allowed for positive identification of at least one compound in 100 % of samples. Identification of all compounds was lower at 52 %. Seized drug samples from adjudicated casework were tested on-site at the Maryland State Police laboratory as a fit-for-purpose study. EC-SERS provided an accurate screening result of 86 % using the 1st derivative correlation. Applying knowledge of both the local drug landscape and the prevalence of specific adulterants, this value improved to a positive screening of 93 % for the authentic samples. EC-SERS represents a novel approach to drug screening that could impact forensic laboratories, customs and border patrol, public health, and scene investigations. Future work should focus on improved data processing and chemometric tools for data generated in EC-SERS methods.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100621"},"PeriodicalIF":2.6,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142662568","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
Observation of chromatographic differences by non-specialist viewers for one-dimensional gas chromatography and comprehensive two-dimensional gas chromatography output 非专业人员观察一维气相色谱和综合二维气相色谱输出的色谱差异
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-11-09 DOI: 10.1016/j.forc.2024.100620
Clarissa Camara , Cynthia Cheung , Katelynn A. Perrault Uptmor
{"title":"Observation of chromatographic differences by non-specialist viewers for one-dimensional gas chromatography and comprehensive two-dimensional gas chromatography output","authors":"Clarissa Camara ,&nbsp;Cynthia Cheung ,&nbsp;Katelynn A. Perrault Uptmor","doi":"10.1016/j.forc.2024.100620","DOIUrl":"10.1016/j.forc.2024.100620","url":null,"abstract":"<div><div>In the context of forensic investigations, chromatography is used to characterize a sample’s components, providing a chemical pattern to compare with known references which is often presented to individuals without specialized training in analytical chemistry. Comprehensive two-dimensional gas chromatography (GC×GC) has recently become popular in forensic research for analyzing samples such as fire debris samples, drugs, chemical threats, human remains detection, and more. New methods are developed in forensic research regularly, which challenge our view of what may be increasingly complex to convey through scientific communication. This study investigated individuals’ ability to observe differences in images for non-chromatographic photographs, one-dimensional gas chromatography (GC) chromatograms, and comprehensive two-dimensional gas chromatography (GC×GC) contour plots. The goal was to identify whether comparative observations between two outputs were facilitated or hindered when observing GC chromatograms compared to GC×GC contour plots, using photographs as a control. Participants indicated low difficulty in finding differences between pairs of images in all categories. They scored highly at indicating when two images were distinguishable or indistinguishable, with no significant difference between control images and each category. These results support that GC×GC output can be implemented in expert testimony without challenges over traditional one-dimensional techniques. Ongoing research should avoid statements that GC×GC may facilitate or hinder juror comprehension, as the results currently indicate no significant benefit or drawback. Additional research is needed to improve understanding of how technique explanation could aid expert witness testimony to better evaluate how this increasingly common technique will fit into future forensic casework opportunities.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100620"},"PeriodicalIF":2.6,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142662564","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
Assessment of two benzylation strategies for the analysis of nerve-agent derived ethyl- and pinacolyl methyl phosphonic acids in sandy loam soil by GC–MS 利用气相色谱-质谱法分析沙质壤土中神经毒剂衍生的乙基和频哪醇甲基膦酸的两种苄基化策略评估
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-11-06 DOI: 10.1016/j.forc.2024.100616
Vidia A. Gokool , Alexander K. Vu , Saphon Hok , Carlos A. Valdez
{"title":"Assessment of two benzylation strategies for the analysis of nerve-agent derived ethyl- and pinacolyl methyl phosphonic acids in sandy loam soil by GC–MS","authors":"Vidia A. Gokool ,&nbsp;Alexander K. Vu ,&nbsp;Saphon Hok ,&nbsp;Carlos A. Valdez","doi":"10.1016/j.forc.2024.100616","DOIUrl":"10.1016/j.forc.2024.100616","url":null,"abstract":"<div><div>Despite their prohibition by the Chemical Weapons Convention, nerve agents (NAs) remain in use against military and civilian targets. Due to their high reactivity, NAs readily degrade to phosphonic acids, making them important markers in the inspection of areas of presumed NA use. In this work, we assess the use of benzylation to modify ethyl- and pinacolyl methylphosphonic acids, degradation products of VX and Soman respectively, for their efficient detection in a soil matrix at ∼10 and ∼1 μg/g using GC–MS. The soil matrix, Sandy Loam (SL), was chosen for its ubiquitous nature, complex composition with silica particles embedded in clay, and low organic content. In this study, we demonstrate that benzylation via benzyl bromide yields a LOD = 25.6 ng/mL for benzylated-EMPA and LOD = 30.1 ng/mL for benzylated-PMPA. This is superior to the use of p-methoxybenzyl trichloroacetimidate in providing stable phosphonic acid ester derivatives for analysis. A base-modified procedure for <em>p</em>-methoxybenzylation was explored in this study yielding a LOD = 29.1 ng/mL for <em>p</em>-methoxybenzylated-EMPA and LOD = 39.8 ng/mL for <em>p</em>-methoxybenzylated-PMPA. Both benzylation pathways (benzyl bromide and p-methoxybenzyl trichloroacetimidate) can be used to yield phosphonic acid derivatives that provide further confirmation of these Soman and VX degradation products in soil samples in investigative scenarios. The work herein represents the first application of benzylation methods for the analysis of these NA markers in the acidic, silicon-based SL soil.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100616"},"PeriodicalIF":2.6,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142662566","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
Portable near-infrared detection to replace color tests in an analytical scheme for forensic drug identification 在法医鉴定毒品的分析方案中,用便携式近红外检测仪取代颜色检测仪
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-11-06 DOI: 10.1016/j.forc.2024.100615
Annique van Beek , Laura I. Stuyver , Henk-Jan Ramaker , Emile M. Mes , Arian C. van Asten , Ruben F. Kranenburg
{"title":"Portable near-infrared detection to replace color tests in an analytical scheme for forensic drug identification","authors":"Annique van Beek ,&nbsp;Laura I. Stuyver ,&nbsp;Henk-Jan Ramaker ,&nbsp;Emile M. Mes ,&nbsp;Arian C. van Asten ,&nbsp;Ruben F. Kranenburg","doi":"10.1016/j.forc.2024.100615","DOIUrl":"10.1016/j.forc.2024.100615","url":null,"abstract":"<div><div>In the ever-changing drug market the popularity and availability of substances is dynamic. In the Netherlands, ketamine and various cathinones have recently seen increased prevalence. It is crucial for law enforcement to quickly obtain an initial indication of the identity of a substance. This first test also serves as quality control for subsequent confirmation with GC–MS analysis. Traditionally, color tests have been used for these purposes. While these tests are quick and inexpensive, they have the disadvantage of reacting only to a few traditional drugs. Suitable color tests are not available for many new psychoactive substances (NPS). Near-infrared (NIR) spectroscopy is a rapid technique that provides a characteristic spectrum for organic compounds. This technique is more versatile than color tests and can adapt more quickly to market changes by incorporating reference spectra into the library. This study demonstrates the feasibility of obtaining a good quality NIR spectrum from a 20 mg sub-sample in a test tube. This was achieved by scanning the test tube through the glass bottom. In the routine analytical scheme, these test tubes were subsequently batchwise analyzed by GC–MS. From the NIR spectra, 84 % true positive and 100 % true negative results were achieved on 516 casework samples, including identification of substances without available color tests like ketamine. Missed false negatives primarily involved new substances absent from the library, emphasizing the need for continuous library updates. NIR’s adaptability to market changes is crucial, allowing the inclusion of new substances as they emerge. This method enhances law enforcement’s ability to make informed decisions, aiding in the indictment process.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100615"},"PeriodicalIF":2.6,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142662567","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
Enhancing Counterfeit Banknote Analysis: Case Studies Using TOF-SIMS 加强伪钞分析:使用 TOF-SIMS 的案例研究
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-11-03 DOI: 10.1016/j.forc.2024.100617
Alice Bejjani , Raymond Tannous , Georges Chalhoub , Mazen Hamdan , Bilal Nsouli
{"title":"Enhancing Counterfeit Banknote Analysis: Case Studies Using TOF-SIMS","authors":"Alice Bejjani ,&nbsp;Raymond Tannous ,&nbsp;Georges Chalhoub ,&nbsp;Mazen Hamdan ,&nbsp;Bilal Nsouli","doi":"10.1016/j.forc.2024.100617","DOIUrl":"10.1016/j.forc.2024.100617","url":null,"abstract":"<div><div>Counterfeiting banknotes poses a significant threat to economies worldwide, particularly in developing countries where cash transactions remain predominant. Despite advancements in security features, counterfeiters continue to adapt, necessitating more sophisticated analysis methods. Time of flight Secondary Ion Mass Spectrometry (TOF-SIMS) offers a powerful approach to surface chemical imaging and depth profiling of counterfeit currencies. Real cases of five different counterfeit Lebanese banknotes are studied, using TOF-SIMS to address specific questions regarding the composition and placement of replicated security features, gaining insights into counterfeit banknote production and the raw materials used. The findings provide essential information to decision-makers at the national bank, supporting the design of future currencies through the selection of security features best suited to the local market, thereby enhancing protection against financial fraud..</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100617"},"PeriodicalIF":2.6,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593891","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
Halogen-bond mediated charge transfer for visual competitive colorimetric detection of fentanyl 卤素键介导的电荷转移用于芬太尼的视觉竞争性比色检测
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-11-03 DOI: 10.1016/j.forc.2024.100618
Boyan Li , Qiongyao Ning , Wenyou Ye , Qianxi Wang , Haili Yu , Xuecheng Chen , Yi He
{"title":"Halogen-bond mediated charge transfer for visual competitive colorimetric detection of fentanyl","authors":"Boyan Li ,&nbsp;Qiongyao Ning ,&nbsp;Wenyou Ye ,&nbsp;Qianxi Wang ,&nbsp;Haili Yu ,&nbsp;Xuecheng Chen ,&nbsp;Yi He","doi":"10.1016/j.forc.2024.100618","DOIUrl":"10.1016/j.forc.2024.100618","url":null,"abstract":"<div><div>Colorimetric assays are inexpensive and attractive tools for the detection of fentanyl (FTN), yet further enhancing their sensitivity remains a major challenge. Herein, we develop a halogen-bond mediated visual competitive colorimetric assay for FTN using Erythrosine B (EB) as a probe. The addition of poly(ethylene oxide)-block-poly(propylene oxide)-block-poly(ethylene oxide (F-127) induces the EB aggregation, strongly suppressing the background signal. Upon the introduction of FTN, the subsequent competitive reaction displaces F-127 to generate EB-FTN charge-transfer complexes via N<sup>…</sup>I halogen bonds between electron-rich amine groups and electron-deficient iodine sites, accompanying a significant absorbance wavelength shift and pink-to-purple color change. The limits of detection of this approach for FTN are 2 mg·L<sup>−1</sup> by the naked eye and 0.19 mg·L<sup>−1</sup> by UV–vis spectroscopy, which are approximately 3.7-fold to 4 orders of magnitude more sensitive than the reported colorimetric assays. Meanwhile, the present method is well applied for FTN-spiked domestic sewage samples, and an easy-to-use smartphone-based digital image colorimetry is also fabricated. It is expected that such an assay can play a key role in alleviating the worldwide opioid overdose crisis.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100618"},"PeriodicalIF":2.6,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593890","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
Use of optimized 1H selTOCSY for identification and individualization of petrol samples from fire debris 使用优化的 1H selTOCSY 对火灾残骸中的汽油样本进行识别和个性化处理
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-11-01 DOI: 10.1016/j.forc.2024.100614
Yanita Yankova , John Warren , Michael D. Cole , Silvia Cirstea
{"title":"Use of optimized 1H selTOCSY for identification and individualization of petrol samples from fire debris","authors":"Yanita Yankova ,&nbsp;John Warren ,&nbsp;Michael D. Cole ,&nbsp;Silvia Cirstea","doi":"10.1016/j.forc.2024.100614","DOIUrl":"10.1016/j.forc.2024.100614","url":null,"abstract":"<div><div>Detection and identification of ignitable liquids in fire investigation is ongoing challenge for forensics investigators. This study uses the analytical power of NMR analysis and permits the identification of trace amounts of olefinic compounds the complex mixture of petrol that aids the individualization of petrol sources. The <sup>1</sup>H selTOCSY NMR method has proven to be successful in the investigation of the four sets of alkenes namely: 3-methyl-1-butene (set 1), a mixture of 3-methyl-1-butene and 1-pentene (set 2), 2-methyl-2-butene (set 3) and a mixture of cis and <em>trans</em>-2-pentene (set 4) in petrol samples evaporated to different extents, simulating the action of weathering of actual casework samples, and still achieved significant discrimination of petrol brands at 25 % and 50 % evaporation. Discrimination of burned samples also proved possible, both of burnt petrol its own and then petrol burned on different substrates including wood, carpet, fabric, and paper materials representing common household fire debris residues. <sup>1</sup>H selTOCSY NMR experiments on these alkene signals remove most of the non-alkene-related signals from the spectra and thus provide additional clarity in heavily burnt and contaminated samples, increasing the capacity to discriminate between samples using the four alkene markers.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100614"},"PeriodicalIF":2.6,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142662565","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
Detection of synthetic cathinones in seized drugs using surface-enhanced Raman spectroscopy (SERS) 利用表面增强拉曼光谱(SERS)检测缉获药物中的合成卡西酮类化合物
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-10-28 DOI: 10.1016/j.forc.2024.100613
Mario O. Vendrell-Dones, Emily Hernandez, Sevde Dogruer Erkok, Bruce McCord
{"title":"Detection of synthetic cathinones in seized drugs using surface-enhanced Raman spectroscopy (SERS)","authors":"Mario O. Vendrell-Dones,&nbsp;Emily Hernandez,&nbsp;Sevde Dogruer Erkok,&nbsp;Bruce McCord","doi":"10.1016/j.forc.2024.100613","DOIUrl":"10.1016/j.forc.2024.100613","url":null,"abstract":"<div><div>There is need for a screening method to assist authorities in detecting cathinone analogs in a rapid, reliable, and sensitive fashion. This work describes the development of Ag colloidal systems for use as SERS-enhancing substrates to detect six synthetic cathinone analogs. Furthermore, specific interactions between the analyte and metal surface were probed by determining the effect of functional groups attached to the core synthetic cathinone. Initial work involved Density Functional Theory (DFT) calculations at B3LYP/6-311G** level to predict Raman frequencies of the studied compounds. Normal Raman measurements on dried solid residues of synthetic cathinone standards were next examined, and the resulting scaled spectra were used to ensure concordance of the DFT-predicted frequencies with experimental values. Subsequent work focused on the development of a SERS protocol, which included the selection of<!--> <!-->nanoparticles in solution, followed by the addition of aggregating agents such as MgCl<sub>2</sub> and KBr to produce high-density hot-spots on the nanometallic surface. Sample treatment conditions necessary to detect the selected synthetic cathinone analogs were also optimized. Once completed, the characterization and identification of the main peaks that make up the synthetic cathinone core structure were assigned and unique functional groups for each of the analogs were identified. Overall, the analytical process takes less than a minute, making the procedure useful for field screening. Ultimately, this procedure can aid law enforcement and first responders by providing a more specific method for rapid and sensitive on-site analysis of seized drugs.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100613"},"PeriodicalIF":2.6,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142587227","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
Development and validation of a forensic workflow for the complete profiling of illicit drugs and excipients 开发和验证用于非法药物和辅料完整特征分析的法医工作流程
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.forc.2024.100612
Mikaela J. Radke, Alan White, Wendy A. Loughlin, Sarah L. Cresswell
{"title":"Development and validation of a forensic workflow for the complete profiling of illicit drugs and excipients","authors":"Mikaela J. Radke,&nbsp;Alan White,&nbsp;Wendy A. Loughlin,&nbsp;Sarah L. Cresswell","doi":"10.1016/j.forc.2024.100612","DOIUrl":"10.1016/j.forc.2024.100612","url":null,"abstract":"<div><div>The development of a complete understanding of the societal harms of illicit drug mixtures requires a greater emphasis on the complete identification of illicit and excipient compounds. To increase the feasibility of this in practice, common and emerging analytical techniques were examined in the context of developing a non-targeted forensic workflow. The purpose of this workflow was to increase the identification of excipient compounds without compromising the quality of illicit drug identification as required for admissibility of evidence in court. This incorporated the testing of simulated compound mixtures to develop the principal avenues of analysis. These pathways were then validated through the testing of unknown compound mixtures. The techniques of focus included GCMS, FTIR, LC-HRMS for identification, and LC-HRMS for quantitation. These techniques were organised into their respective categories of techniques, according to the SWGDRUG guidelines, to produce a workflow that would ensure the admissibility of evidence no matter the pathway taken. HRMS was examined as an emerging technique not currently used in illicit drug analysis facilitating non-targeted analysis pathways. From this, and in combination with GCMS, all organic components were identifiable in simulated and unknown mixtures. Partial identification was also achieved for insoluble compounds using FTIR analysis. Identification by HRMS was facilitated by comparison to reference standards and MS/MS spectra matching to the high-resolution database MzCloud. This demonstrated the applicability of HRMS, specifically the Exploris 120 Orbitrap, to the identification and quantitation of both illicit and organic excipient compounds within Forensic Chemistry.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100612"},"PeriodicalIF":2.6,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142530884","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
Recovery and detection of ignitable liquid residues from the substrates by solid phase microextraction – direct analysis in real time mass spectrometry 通过固相微萃取--实时质谱直接分析--回收和检测底物中的可燃液体残留物
IF 2.6 3区 医学
Forensic Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.forc.2024.100611
Shruthi Perna , Ngee Sing Chong , Mengliang Zhang
{"title":"Recovery and detection of ignitable liquid residues from the substrates by solid phase microextraction – direct analysis in real time mass spectrometry","authors":"Shruthi Perna ,&nbsp;Ngee Sing Chong ,&nbsp;Mengliang Zhang","doi":"10.1016/j.forc.2024.100611","DOIUrl":"10.1016/j.forc.2024.100611","url":null,"abstract":"<div><div>In this study, direct analysis in real time mass spectrometry (DART-MS) was coupled to the solid phase microextraction (SPME) to extract and analyze the ignitable liquid residues (ILR) present in the sample matrices. The SPME extraction parameters, such as extraction temperature and extraction time, were optimized using a two-factor central composite design. The SPME-DART-MS setup was utilized to analyze the substrates and fire debris matrices spiked with gasoline. The results indicate that the less volatile marker compounds from gasoline were recovered from the substrates and fire debris, and their profiles matched well with the gasoline liquid samples analyzed directly by DART-MS. As expected, the effective extraction of marker compounds in gasoline required a relatively high temperature, i.e., 150 ℃. In the presence of a matrix, a higher extraction temperature and longer extraction time could benefit the extraction efficiency. The desorption of ILR on SPME fiber was performed by inserting the fiber into the DART-MS helium gas stream at 300 ℃ for 1 min with no carry-over residues being observed between successive samples. The chemical information attained with this method is typically not observed in the current GC/MS-based practice. The SPME-DART-MS was also extended to reanalyze less volatile components of ILR on substrates after the ASTM E1412 activated charcoal method, which indicates its possible application subsequent to the traditional GC/MS ILR analysis. The SPME-DART-MS has shown promise in ILR detection as an important complementary tool.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100611"},"PeriodicalIF":2.6,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142530883","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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