Forensic Chemistry最新文献

Application of element and isotopic fingerprint features in nuclear forensics: A review

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-02-08 DOI: 10.1016/j.forc.2025.100646

Ziao Li , Yang Shao , Min Luo , Lingling Ma , Diandou Xu

Nuclear forensics can provide historical evidence for nuclear materials. This can be used to verify nuclear activities or trace the origin and intended use of materials. As a comprehensive discipline, most sample analysis techniques in nuclear forensics are adaptations of existing methodologies. The elemental signatures contain fundamental information about nuclear materials, while isotope signatures also significantly impact nuclear forensic research. This paper aims to give an overview about the recent developments and the state-of-art analytical methods for elemental signatures and isotope signatures in nuclear forensics. Thorough discussions are given in this paper covering a wide range of aspects, including sample pre-treatment methods, chemical separation techniques, source preparation, mass spectrometry measurement techniques, and multidimensional statistical methods. The element and isotopic signatures discussed in this article include uranium, plutonium, rare earth elements, impurity elements, and radiochronometers. The focus is on mass spectrometry-based detection methods that have been developed to enhance the efficiency, sample throughput and high-precision measurements of nuclear forensic. A detailed discussion is provided on the performance of these techniques, particularly regarding uncertainty, relative deviation and detection limits.

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引用次数: 0

A new “tailor-made” protocol for operational latent fingermarks’ development on unfired ammunition

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-01-29 DOI: 10.1016/j.forc.2025.100645

Ravell Bengiat , Adi Dahan , Michal Levin-Elad , Nurit Atar , Yakir Liptz , Daniel Mandler , Joseph Almog

Fingermarks’ (FM) development on unfired ammunition, found at shooting crime-scenes, provide key evidence in connecting a suspect to the crime. However, the standard FM enhancement technique for metal surfaces, ethyl cyanoacrylate (ECA) fuming, is often ineffective for this type of evidence, due to its high sensitivity to presence of residual water and salts from soil, leading to a non-selective polymerization on the entire surface. In this work, we have developed a new protocol for unfired brass ammunition suitable for standard operational conditions, and based on the “reverse-development” principle, to achieve higher sensitivity by targeting the surface, rather than the FM residues. This involves a pre-treatment stage using octyl cyanoacrylate (OCA) fuming, which provides a superhydrophobic protective layer to the FM ridges, followed by an electroless deposition reaction between a palladium complex (Na₂PdCl₄) and the brass surface. This long-chain cyanoacrylate derivative demonstrated excellent selectivity towards sebaceous residues in fingerprints, as its less reactive nature results in a polymerization that is unaffected by water, even after long exposure to moist soil (6 days, 80 % RH) prior to development. Moreover, the proposed process allowed the use of a concentrated Na₂PdCl₄ solution, without the fear of over-development when immersing large quantities of ammunition simultaneously, thus affording a successful development of 92 % of a total of 320 FMs from 20 donors. Due to its high sensitivity, robustness, and suitability for large quantities, this simple-to-use protocol has shown a high potential for the future implementation in operational use by latent fingermarks laboratories and CSI field units.

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引用次数: 0

Instrumental color determination of local soils and its variation with elemental profiles

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-01-27 DOI: 10.1016/j.forc.2025.100644

Melissa Liau, Jolene Low, Kang Hua Lee, Thiam Bon Lim

Forensic soil comparison typically relies on qualitative color description through visual observation and side-by-side comparison with standard color chips from the Munsell Soil Color Charts to determine a color notation. Soil color distinctions are then made according to the US National Soil Survey color contrast classes. However, this approach is inherently subjective due to the variations in human examiner’s color perception, which is further influenced by factors such as light intensity, viewing angle, and background contrast. Conversely, color-measuring instruments like spectrophotometers can detect subtle color variations reliably and with greater precision, including colors falling between the chips in Munsell Soil Color Charts. Color differences between a soil pair can be expressed numerically as

Δ E_{00}

and a threshold based on

Δ E_{00}

to distinguish soil colors can be established for objective color comparison. In this study, the colors of soils collected from Singapore parks (soils sampled from areas within 1 m, within the same park, and across different parks) were measured quantitatively using a spectrophotometer. The occurrences of false positives and negatives were calculated and evaluated for the visual and instrumental color comparison methods. We further investigated correlations between the color discrimination threshold based on

Δ E_{00}

and a previous survey conducted on local soil’s elemental variability. The outcome of this study will help streamline soil analysis workflows in laboratories and strengthen the interpretation of forensic comparison of local soils.

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引用次数: 0

Two AIE-actives difluoroboron compounds containing 3,4,5-trifluorophenyl group for latent fingerprints detection

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-01-27 DOI: 10.1016/j.forc.2025.100643

Jiazhuang Tian , Yusong Du , Chunlin Chen, Xiangguang Li, Shulin Gao, Yanhua Yang, Shu Jiang

To meet the needs of forensic identification, two 3,4,5-trifluorophenyl-substitued difluoroboron compounds, 3F-ts-BF₂ with a BF₂-core and 3F-ts-2BF₂ with two BF₂-cores, were synthesized. It was found that two compounds exhibited solvent-dependent fluorescence shifts in eight organic solvents with different polarities and aggregation-induced emission effects in CH₃CN/water mixtures, which could be explained through time-dependent density functional theory calculations. Considering their aggregation-induced emission performances, the developers were prepared, which could clearly and quickly distinguish latent fingerprints on the surface of the glasses. In the bargain, the LFPs on the surfaces of five different substrates were also detected, it was found that the result of the LFPs imaging based on compound 3F-ts-BF₂ was better than that of compound 3F-ts-2BF₂, which was surmised that it was possibly related to the uncoordinated amide linkage moiety in compound 3F-ts-BF₂. This work provided a reference for molecular design using for latent fingerprints detection.

{"title":"Two AIE-actives difluoroboron compounds containing 3,4,5-trifluorophenyl group for latent fingerprints detection","authors":"Jiazhuang Tian , Yusong Du , Chunlin Chen, Xiangguang Li, Shulin Gao, Yanhua Yang, Shu Jiang","doi":"10.1016/j.forc.2025.100643","DOIUrl":"10.1016/j.forc.2025.100643","url":null,"abstract":"<div><div>To meet the needs of forensic identification, two 3,4,5-trifluorophenyl-substitued difluoroboron compounds, <strong>3F-ts-BF<sub>2</sub></strong> with a BF<sub>2</sub>-core and <strong>3F-ts-2BF<sub>2</sub></strong> with two BF<sub>2</sub>-cores, were synthesized. It was found that two compounds exhibited solvent-dependent fluorescence shifts in eight organic solvents with different polarities and aggregation-induced emission effects in CH<sub>3</sub>CN/water mixtures, which could be explained through time-dependent density functional theory calculations. Considering their aggregation-induced emission performances, the developers were prepared, which could clearly and quickly distinguish latent fingerprints on the surface of the glasses. In the bargain, the LFPs on the surfaces of five different substrates were also detected, it was found that the result of the LFPs imaging based on compound <strong>3F-ts-BF<sub>2</sub></strong> was better than that of compound <strong>3F-ts-2BF<sub>2</sub></strong>, which was surmised that it was possibly related to the uncoordinated amide linkage moiety in compound <strong>3F-ts-BF<sub>2</sub></strong>. This work provided a reference for molecular design using for latent fingerprints detection.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"42 ","pages":"Article 100643"},"PeriodicalIF":2.6,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144619","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

The comparison of volatile organic compound profiles between human and non-human bones and its application to human remains detection dogs

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-01-23 DOI: 10.1016/j.forc.2025.100642

Marissa Tsontakis , Darshil Patel , Frédérique Ouimet , Clifford Samson , Wesley S Burr , Shari L. Forbes

Human Remains Detection (HRD) dogs are specifically trained to aid law enforcement agencies in search operations for deceased victims. Their olfactory sensitivity and specificity highlight the importance of choosing target odor sources for HRD training. While HRD dogs rely on olfactory cues to locate human remains, it is important to identify which volatile organic compounds (VOCs) they are alerting to among those released during the various stages of the human decomposition process. In this study, VOC profiles from human and non-human bones were collected and analyzed using thermal desorption coupled to comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (TD-GC × GC-TOFMS). The non-human decomposition VOC profiles were compared to human VOC profiles obtained from sections of amputated human limbs used as HRD training aids. These limb sections were previously decomposed to the dry remains/skeletonization stage. The olfactory responses of HRD dogs in the presence of these training aids and non-human remains were subsequently investigated with results demonstrating their capability in distinguishing human from non-human remains. Highlighting the differences in VOC profiles between human and non-human decomposition may help to enhance the sensitivity of HRD dogs to human remains while recognizing the importance of using human cadaveric material for training purposes.

{"title":"The comparison of volatile organic compound profiles between human and non-human bones and its application to human remains detection dogs","authors":"Marissa Tsontakis , Darshil Patel , Frédérique Ouimet , Clifford Samson , Wesley S Burr , Shari L. Forbes","doi":"10.1016/j.forc.2025.100642","DOIUrl":"10.1016/j.forc.2025.100642","url":null,"abstract":"<div><div>Human Remains Detection (HRD) dogs are specifically trained to aid law enforcement agencies in search operations for deceased victims. Their olfactory sensitivity and specificity highlight the importance of choosing target odor sources for HRD training. While HRD dogs rely on olfactory cues to locate human remains, it is important to identify which volatile organic compounds (VOCs) they are alerting to among those released during the various stages of the human decomposition process. In this study, VOC profiles from human and non-human bones were collected and analyzed using thermal desorption coupled to comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (TD-GC × GC-TOFMS). The non-human decomposition VOC profiles were compared to human VOC profiles obtained from sections of amputated human limbs used as HRD training aids. These limb sections were previously decomposed to the dry remains/skeletonization stage. The olfactory responses of HRD dogs in the presence of these training aids and non-human remains were subsequently investigated with results demonstrating their capability in distinguishing human from non-human remains. Highlighting the differences in VOC profiles between human and non-human decomposition may help to enhance the sensitivity of HRD dogs to human remains while recognizing the importance of using human cadaveric material for training purposes.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"42 ","pages":"Article 100642"},"PeriodicalIF":2.6,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144618","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

Quantitative analysis of cannabinoids by zone heat-assisted DART-MS with in-situ flash derivatization

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-01-12 DOI: 10.1016/j.forc.2025.100641

Wen Dong , Junxiaohan Yuan , Xin Yang , Ning Zhang , Mengliang Zhang

Accurate quantitation of cannabinoids, particularly Δ9-tetrahydrocannabinol (THC) and cannabidiol (CBD), is essential for regulatory compliance, forensic investigations, and cannabis product development. Traditional methods, such as liquid chromatography (LC) and gas chromatography (GC) coupled with mass spectrometry, provide reliable results but are time-consuming and resource-intensive. This study introduces a rapid and high-throughput analytical method using zone heat-assisted direct analysis in real time mass spectrometry (DART-MS) combined with in-situ flash derivatization. The method employs trimethylphenylammonium hydroxide (TMPAH) for efficient derivatization, allowing for the differentiation of THC, CBD, and their acidic precursors, Δ9-tetrahydrocannabinolic acid (THCA) and cannabidiolic acid (CBDA). A custom heated transfer zone was implemented to enhance derivatization efficiency and reduce carryover effects. The method was optimized for reagent concentration and gas stream temperature, achieving high specificity by minimizing interference from isomeric cannabinoids. Validation studies demonstrate good accuracy (relative error within ±15.9 %) and precision (relative standard deviation ≤15 %), with limits of quantitation of 7.5 µg/mL for THC/CBD and 0.5 µg/mL for THCA/CBDA. Comparative analysis of cannabis samples showed a strong correlation with reference LC/MS results, highlighting the reliability of the proposed method. DART-MS offers a significant time advantage, requiring only 10 s per analysis, making it a promising tool for high-throughput screening of cannabis samples in forensic laboratories.

{"title":"Quantitative analysis of cannabinoids by zone heat-assisted DART-MS with in-situ flash derivatization","authors":"Wen Dong , Junxiaohan Yuan , Xin Yang , Ning Zhang , Mengliang Zhang","doi":"10.1016/j.forc.2025.100641","DOIUrl":"10.1016/j.forc.2025.100641","url":null,"abstract":"<div><div>Accurate quantitation of cannabinoids, particularly Δ9-tetrahydrocannabinol (THC) and cannabidiol (CBD), is essential for regulatory compliance, forensic investigations, and cannabis product development. Traditional methods, such as liquid chromatography (LC) and gas chromatography (GC) coupled with mass spectrometry, provide reliable results but are time-consuming and resource-intensive. This study introduces a rapid and high-throughput analytical method using zone heat-assisted direct analysis in real time mass spectrometry (DART-MS) combined with in-situ flash derivatization. The method employs trimethylphenylammonium hydroxide (TMPAH) for efficient derivatization, allowing for the differentiation of THC, CBD, and their acidic precursors, Δ9-tetrahydrocannabinolic acid (THCA) and cannabidiolic acid (CBDA). A custom heated transfer zone was implemented to enhance derivatization efficiency and reduce carryover effects. The method was optimized for reagent concentration and gas stream temperature, achieving high specificity by minimizing interference from isomeric cannabinoids. Validation studies demonstrate good accuracy (relative error within ±15.9 %) and precision (relative standard deviation ≤15 %), with limits of quantitation of 7.5 µg/mL for THC/CBD and 0.5 µg/mL for THCA/CBDA. Comparative analysis of cannabis samples showed a strong correlation with reference LC/MS results, highlighting the reliability of the proposed method. DART-MS offers a significant time advantage, requiring only 10 s per analysis, making it a promising tool for high-throughput screening of cannabis samples in forensic laboratories.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"42 ","pages":"Article 100641"},"PeriodicalIF":2.6,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144617","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 and quantitation of the semi-synthetic cannabinoid hexahydrocannabinol in seized samples from Scottish prisons

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-01-11 DOI: 10.1016/j.forc.2025.100640

Letícia Birk , Victoria Marland , Sarah Eller , Tiago Franco de Oliveira , Niamh Nic Daéid , Lorna Nisbet

The dynamic new psychoactive substance market is constantly evolving and adapting as new legislative regulations are established. The prevalence of new psychoactive substances within the Scottish prison Service has been well documented, with this unique illicit drug ecosystem facilitating the detection of compounds often preceding their identification in forensic toxicology samples. This study provides an overview of two case samples seized from Scottish prisons between November 2023 and April 2024, where the semi-synthetic cannabinoid, hexahydrocannabinol, was identified following a quantitative gas chromatography-mass spectrometry (GC–MS) analysis. This semi-synthetic cannabinoid was detected alongside other traditional cannabinoids including cannabidiol, cannabinol, Δ⁹-tetrahydrocannabinol, and Δ⁸-tetrahydrocannabinol. Variability of the ratio between hexahydrocannabinol isomers was observed in the samples, as well as variability in the concentrations of other cannabinoids. This highlights the importance of quantitative analysis, as distinct effects can be expected from the variable sample compositions. In conclusion, this study marks the first detections of the semi-synthetic cannabinoid, hexahydrocannabinol, within the Scottish prison estate, demonstrating its emergence within that illicit drug market.

{"title":"Detection and quantitation of the semi-synthetic cannabinoid hexahydrocannabinol in seized samples from Scottish prisons","authors":"Letícia Birk , Victoria Marland , Sarah Eller , Tiago Franco de Oliveira , Niamh Nic Daéid , Lorna Nisbet","doi":"10.1016/j.forc.2025.100640","DOIUrl":"10.1016/j.forc.2025.100640","url":null,"abstract":"<div><div>The dynamic new psychoactive substance market is constantly evolving and adapting as new legislative regulations are established. The prevalence of new psychoactive substances within the Scottish prison Service has been well documented, with this unique illicit drug ecosystem facilitating the detection of compounds often preceding their identification in forensic toxicology samples. This study provides an overview of two case samples seized from Scottish prisons between November 2023 and April 2024, where the semi-synthetic cannabinoid, hexahydrocannabinol, was identified following a quantitative gas chromatography-mass spectrometry (GC–MS) analysis. This semi-synthetic cannabinoid was detected alongside other traditional cannabinoids including cannabidiol, cannabinol, Δ<sup>9</sup>-tetrahydrocannabinol, and Δ<sup>8</sup>-tetrahydrocannabinol. Variability of the ratio between hexahydrocannabinol isomers was observed in the samples, as well as variability in the concentrations of other cannabinoids. This highlights the importance of quantitative analysis, as distinct effects can be expected from the variable sample compositions. In conclusion, this study marks the first detections of the semi-synthetic cannabinoid, hexahydrocannabinol, within the Scottish prison estate, demonstrating its emergence within that illicit drug market.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"42 ","pages":"Article 100640"},"PeriodicalIF":2.6,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144580","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

Flammable liquids in non-flammable products as potential interferences in the determination of ignitable liquid residues in fire debris

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2025-01-08 DOI: 10.1016/j.forc.2025.100639

Chaney A. Ganninger , Gabriel M. Walkup , Sierra M. Fleegle , Glen P. Jackson

The clothing of suspected arsonists is often analyzed for the presence of ignitable liquids. Personal care products (PCPs) are ubiquitous in our society and can contaminate clothing, so their potential interference is an important consideration in the interpretation of casework samples. Thirty-two samples of various hygiene products and hand cleaners were analyzed using headspace concentration-gas chromatography/mass spectrometry (GC/MS). Despite occasionally containing one or two hydrocarbon compounds found in ignitable liquids, all the antiperspirants and deodorants were readily distinguished from ignitable liquids because they lacked any of the key diagnostic features of ignitable liquids in their extracted ion profiles (EIPs). Two samples labeled as hand cleaners displayed characteristic patterns of heavy petroleum distillates, which, if found on a suspect’s clothing, could cause the misleading assumption that the source of the liquid was flammable. However, the petroleum distillates in these two hand-cleaning products were not flammable, according to both their packaging and safety data sheets, because they were formulated as emulsions with water. This study also includes a casework example of a heavy petroleum distillate in a fire debris sample. However, the co-presence of abundant fatty acid methyl esters increased the probability that the original source was either a biodiesel blend or a non-flammable formulation product and therefore raises reasonable doubt about the flammability of the original product. The results of this work are limited by the GC/MS method, which could not detect volatiles like acetone, propanol, and ethanol eluting before a retention index of 700 nor non-volatile emulsifiers/surfactants.

{"title":"Flammable liquids in non-flammable products as potential interferences in the determination of ignitable liquid residues in fire debris","authors":"Chaney A. Ganninger , Gabriel M. Walkup , Sierra M. Fleegle , Glen P. Jackson","doi":"10.1016/j.forc.2025.100639","DOIUrl":"10.1016/j.forc.2025.100639","url":null,"abstract":"<div><div>The clothing of suspected arsonists is often analyzed for the presence of ignitable liquids. Personal care products (PCPs) are ubiquitous in our society and can contaminate clothing, so their potential interference is an important consideration in the interpretation of casework samples. Thirty-two samples of various hygiene products and hand cleaners were analyzed using headspace concentration-gas chromatography/mass spectrometry (GC/MS). Despite occasionally containing one or two hydrocarbon compounds found in ignitable liquids, all the antiperspirants and deodorants were readily distinguished from ignitable liquids because they lacked any of the key diagnostic features of ignitable liquids in their extracted ion profiles (EIPs). Two samples labeled as hand cleaners displayed characteristic patterns of heavy petroleum distillates, which, if found on a suspect’s clothing, could cause the misleading assumption that the source of the liquid was flammable. However, the petroleum distillates in these two hand-cleaning products were not flammable, according to both their packaging and safety data sheets, because they were formulated as emulsions with water. This study also includes a casework example of a heavy petroleum distillate in a fire debris sample. However, the co-presence of abundant fatty acid methyl esters increased the probability that the original source was either a biodiesel blend or a non-flammable formulation product and therefore raises reasonable doubt about the flammability of the original product. The results of this work are limited by the GC/MS method, which could not detect volatiles like acetone, propanol, and ethanol eluting before a retention index of 700 nor non-volatile emulsifiers/surfactants.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"42 ","pages":"Article 100639"},"PeriodicalIF":2.6,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144579","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

GC-VUV spectroscopy of synthetic cannabinoid isomers, diastereomers and homologs: Increasing differentiation by derivative spectral processing

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2024-12-25 DOI: 10.1016/j.forc.2024.100635

Annika Dombrowski, Diana Le, Ira S. Lurie

The increased prevalence of synthetic drugs has led to a rise in isomeric compounds on the market, resulting in a need for analysis techniques capable of distinguishing between these analytes. Previous research has investigated the potential of gas chromatography – vacuum ultraviolet spectroscopy (GC-VUV) for this purpose, demonstrating its complimentary nature to the more traditional gas chromatography – mass spectrometry (GC–MS). This work reinforces the value of GC-VUV and demonstrates its potential for GC–MS-like specificity through the application of derivative analysis to VUV spectra. Seventeen JWH 018 positional isomers and six diastereomers, including two homologs, were analyzed by GC-VUV and derivative analysis. Library searches and principal component analysis (PCA) were used to compare the specificity of non-, first, and second derivative spectra. Derivative analysis was found to increase specificity in library searches by lowering the frequency of false hits, and in PCA by improving separation and clustering. This demonstrates the potential value of GC-VUV analysis in general, as well as of the implementation of derivative analysis for isomer identification.

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引用次数: 0

Characterizing nitrocellulose by nitration degree and molecular weight: A user-friendly yet powerful forensic comparison method for smokeless powders

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry

Pub Date : 2024-12-24 DOI: 10.1016/j.forc.2024.100637

Rick S. van den Hurk , Ids B. Lemmink , Jade R. van Schaik , Annemieke W.C. Hulsbergen , Ron A.H. Peters , Bob W.J. Pirok , Arian C. van Asten

Smokeless powders (SPs) are commonly used as propellant for ammunition but are also used as explosive component in improvised explosive devices. Therefore, its chemical characterization is of high importance when reporting forensic explosives investigations to a court of law. While conventional analytical strategies focus on the characterization of the additives in SPs, only few methods consider the main explosive component in SP, nitrocellulose (NC).

In this study, a user-friendly analytical method was developed for characterizing NC in SPs. The method employs size-exclusion chromatography combined with ultraviolet (UV) and refractive index (RI) detection. Through the size separation, the SP additives are separated from the polymeric NC because of their lower molecular weight. The novel part of the system lies in the simultaneous measurement of the molecular-weight distribution (MWD) and the nitration degree, thus boosting the discriminating power obtained from a single analysis. The combined use of two detectors enables a highly specific analysis, because the ratio between the UV and RI signal intensities is directly correlated with the nitration degree of NC. Characterizing the nitrocellulose demonstrated high discriminating powers of 98.95 % for the MWD and 92.65 % for the nitration degree using a set of 20 SP products. Combined, all sample pairs in our sample set could be distinguished.

The proposed method is not limited to product classification that is obtained from additive profiles, and potentially offers individualization at batch level. This method provides high discriminating power while requiring little financial investment with regards to instrumentation and maintenance.

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引用次数: 0