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    28 August 2021, Volume 37 Issue 4 Previous Issue    Next Issue

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    Research Progress on Metabolite Identification of Synthetic Cannabinoid New Psychoactive Substances
    LI Le, ZHAO Jun-bo, YAN Hui, et al.
    2021, 37(4): 459-469.  DOI: 10.12116/j.issn.1004-5619.2021.310602
    Abstract ( 616 )   PDF (1900KB) ( 1961 )  
    Synthetic cannabinoids are currently a class of new psychoactive substances with the largest variety and most abused. Metabolite identification research can provide basic data for monitoring synthetic cannabinoids abuse, which is the current research hotspot. The main trend of structural modification of synthetic cannabinoid is to replace the fluorine atom on pentyl indole or indazole cyclopentyl with hydrogen atom, which greatly improves the biological activity of the compound. The main metabolic reactions include hydroxylation, fluoropentyl oxidative, ester hydrolyze, amide hydrolysis. Liquid chromatography-high resolution mass spectrometry has become the preferred choice for the structural identification of metabolites. This review mainly summarizes research on metabolism software prediction and human hepatocyte model, human liver microsomes model, rat in vivo model, zebrafish model and fungus C. elegans model in metabolite identification based on the structure and classification of synthetic cannabinoids.
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    Research Advances in the Monitoring of New Psychoactive Substances in Municipal Wastewater
    YUAN Shuai, LUO Ru-xin, XIANG Ping
    2021, 37(4): 470-478.  DOI: 10.12116/j.issn.1004-5619.2021.310601
    Abstract ( 522 )   PDF (1149KB) ( 1308 )  
    In recent years, as the third-generation of drugs, new psychoactive substances (NPS) have expanded rapidly and become a serious concern for China’s anti-drug prevention and control system. As a new drug monitoring technology in the current anti-drug field, wastewater analysis is an objective, real-time, accurate, convenient and effective drug monitoring method. In recent years, it has gradually been applied to the monitoring of NPS. This study summarizes wastewater sample collection, target stability research, wastewater sample pretreatment, wastewater sample analysis methods, target NPS consumption calculations and actual monitoring applications, with a view to the construction of a monitoring system for NPS in wastewater, real-time and accurate grasp of information on the use of NPS in cities, the reflection of the actual consumption of different types of NPS and consumption trends in a short period of time, and prediction of the development trend of abused use, which is of great significance for combating NPS crimes, serving and guaranteeing the personal safety of the people, and maintaining social stability.
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    Analysis and Application of Seven Common New Psychoactive Substances of Synthetic Cannabinoids in Hair
    SHI Yan, ZHOU Li-ying, SHEN Bao-hua, et al.
    2021, 37(4): 479-485,492.  DOI: 10.12116/j.issn.1004-5619.2021.310301
    Abstract ( 577 )   PDF (1235KB) ( 1114 )  
    Objective To establish a detection method for common new psychoactive substances of synthetic cannabinoids in hair with ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Methods In the 1 mL of internal standard methanol solution, 20 mg hair was added. After cryogenic grinding and ultrasonic extraction, the extract was separated by ACQUITY UPLC HSS T3 column (100 mm×2.1 mm, 1.8 μm). The mobile phase A was aqueous solution that composed of 20 mmol/L ammonium acetate, 0.1% formic acid, and 5% acetonitrile. The mobile phase B was acetonitrile. Electrospray ionization source in positive ion mode was used for data acquisition in multi-reaction monitoring (MRM) mode. Results The seven common new psychoactive substances of synthetic cannabinoids in hair had a good linear relationship within their respective linear ranges (r>0.99), the limits of detection were 0.5-2 pg/mg, the limits of quantification were 1-5 pg/mg, the intra-day and inter-day precisions were 0.1%-12.6%, the intra-day and inter-day accuracies were 89.2%-110.7%, the recovery rates were 52.3%-93.3%, and the matrix effects were 19.1%-95.2%. Conclusion The established method has a simple sample preparation process and high sensitivity. It is suitable for qualitative and quantitative analysis of common new psychoactive substances of synthetic cannabinoids in hair.
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    Identification of Synthetic Cannabinoid 5F-EDMB-PICA in Suspicious Herbal Products
    MENG Xin, HUA Zhen-dong, JIA Wei, at al.
    2021, 37(4): 486-492.  DOI: 10.12116/j.issn.1004-5619.2021.310304
    Abstract ( 573 )   PDF (1838KB) ( 1108 )  
    Objective To study the qualitative analysis strategy for unknown synthetic cannabinoid in the suspicious herbal product when no reference substance is available. Methods The synthetic cannabinoid in herbal blend was extracted with methanol. The extract was concentrated by rotary evaporator and separated and purified by preparative liquid chromatography, to obtain high purity synthetic cannabinoid sample. Gas chromatography-mass spectrometry (GC-MS), ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) and nuclear magnetic resonance (NMR) were used to determine the structure of the prepared compound. Results High purity unknown sample (10 mg) was obtained by preparative liquid chromatography. The sample was analyzed by GC-MS, UPLC-TOF-MS and NMR, and through spectrum analysis, the unknown synthetic cannabinoid was determined as 5F-EDMB-PICA. Conclusion The method to extract unknown synthetic cannabinoid from low content herbal products by preparative liquid chromatography was established, and the structure of the unknown sample was identified by comprehensive use of GC-MS, UPLC-QTOF-MS and NMR. The information will assist forensic laboratories in identifying this substance or other compounds with similar structures in their casework.
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    Metabolism of New Psychoactive Substances 4F-MDMB-BUTINACA in Zebrafish
    YUE Lin-na, XIANG Ping, SONG Fen-yun, et al.
    2021, 37(4): 493-499.  DOI: 10.12116/j.issn.1004-5619.2021.310401
    Abstract ( 735 )   PDF (2822KB) ( 1138 )  
    Objective To study the metabolic transformation pathways of 4F-MDMB-BUTINACA in vivo by establishing zebrafish models. Methods Six adult zebrafish were randomly divided into blank control group and experimental group, with three fish in each group. After the zebrafish in the experimental group were exposed to 1 μg/mL 4F-MDMB-BUTINACA for 24 h, they were transferred to clean water and cleaned three times, then pretreated for instrumental analysis. The zebrafish in blank control group were not exposed to 4F-MDMB-BUTINACA. Mass spectrometry and structural analysis of 4F-MDMB-BUTINACA and its metabolites were conducted by liquid chromatography-high resolution mass spectrometry and Mass Frontier software. Results A total of twenty-six metabolites of 4F-MDMB-BUTINACA were identified in zebrafish, including eighteen phase Ⅰ metabolites and eight phase Ⅱ metabolites. The main metabolic pathways of phase Ⅰ metabolites of 4F-MDMB-BUTINACA in zebrafish were ester hydrolysis, N-dealkylation, oxidative defluorination and hydroxylation, while the main metabolic pathway of phase Ⅱ metabolites was glucuronidation. Conclusion Metabolite Md24 (ester hydrolysis) and Md25 (ester hydrolysis combined with dehydrogenation) would be recommended to be potentially good biomarkers for abuse of 4F-MDMB-BUTINACA.
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    Determination of Salt Forms of New Psychoactive Substances by Ion Chromatography
    CHEN Yue-meng, HUA Zhen-dong, LIU Cui-mei, et al.
    2021, 37(4): 500-504.  DOI: 10.12116/j.issn.1004-5619.2021.310402
    Abstract ( 347 )   PDF (1155KB) ( 903 )  
    Objective To establish an ion chromatography method for the salt form determination of new psychoactive substances (NPS). Methods The method of conducting qualitative and quantitative analysis of six types of organic acid ions (acetate ion, tartrate ion, maleate ion, oxalate ion, fumarate ion, citrate ion) and five types of inorganic anions (fluoride ion, chloride ion, nitrate ion, sulfate ion, phosphate ion) in NPS sample by ion chromatography was developed. The salt forms of 222 seized NPS samples (103 samples with synthetic cannabinoids, 81 samples with cathinones, 44 samples with phenylethylamines, 12 samples with tryptamines, 7 samples with phencyclidines, 6 samples with piperazines, 2 samples with aminoindenes, 26 samples with fentanyls and 43 samples with other types of NPS) were analyzed by this method. Results Each anion had good linearity in the corresponding linear range, the correlation coefficients (r) were greater than 0.999, the limits of detection were 0.01-0.05 mg/L, and the limits of quantitative were 0.1-0.5 mg/L. Except that 5F-BEPIRAPIM was hydrochloride, the salt forms of the other 102 synthetic cannabinoids were all base. The salt form of 81 cathinone samples, 44 phenylethylamine samples, 7 phencyclidine samples and 2 aminoindene samples were all hydrochloride. The salt forms of tryptamine samples included base, hydrochloride, fumarate and oxalate. The salt forms of piperazine samples included base and hydrochloride. The salt forms of fentanyl samples and samples of other types included base, hydrochloride and citrate. Conclusion Ion chromatography is a simple, accurate and efficient method for determining the salt form of NPS samples, which makes the qualitative and quantitative conclusions of NPS more scientific and rigorous.
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    Identification of Synthetic Cannabinoid New Psychoactive Substances 4F-MDMB-BUTINACA and MDMB-4en-PINACA
    WANG Kua-dou, YUAN Xiao-liang, ZHANG Yu-rong, et al.
    2021, 37(4): 505-510.  DOI: 10.12116/j.issn.1004-5619.2020.300501
    Abstract ( 1097 )   PDF (2265KB) ( 1402 )  
    Objective To establish a method that combines a series of techniques including Fourier transform infrared spectrum (FTIR), gas chromatography-mass spectrometry (GC-MS), high resolution mass spectrometry and nuclear magnetic resonance spectroscopy (NMR) for identification of unknown substances. Methods The unknown samples (off-white powder and yellow crystal) seized in the actual cases were detected by FTIR, GC-MS (methanol as solvent), high resolution mass spectrometry (methanol as solvent) and NMR (deuterated methanol as solvent). Results The mass spectrum characteristic ions m/z of the main components in the samples measured by GC-MS were 219 (base peak), 363, 307, 304, 275, 145, 131 and 213 (base peak), 357, 301, 298, 269, 185, 171, 145 and 131, respectively. The accurate mass numbers [M+H]+ measured by high resolution mass spectrometry were 364.203 61 and 358.212 34, respectively. The unknown samples were identified as synthetic cannabinoid new psychoactive substances 4F-MDMB-BUTINACA and MDMB-4en-PINACA after data consultation and database retrieval and comparison, combined with infrared analysis and mass spectrometry data analysis, and their structures were confirmed by 1H-NMR. Conclusion The established multi-technology joint identification method can be used to identify 4F-MDMB-BUTINACA and MDMB-4en-PINACA in unknown samples. This method is fast, convenient, accurate, reliable and practical, and can provide reference for the identification of cases involving such substances in the future.
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    Identification of New Psychoactive Tryptamines 4-OH-MET and 4-AcO-DMT Using High Resolution Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy
    DING Ke-ran, NI Chun-fang, HE Si-yang, et al.
    2021, 37(4): 511-515,523.  DOI: 10.12116/j.issn.1004-5619.2021.310305
    Abstract ( 573 )   PDF (1792KB) ( 1067 )  
    Objective To detect the uncontrolled new psychoactive tryptamines involved in drug-related cases with high resolution mass spectrometry and nuclear magnetic resonance spectroscopy. Methods White and brown powder obtained in actual cases were extracted and analyzed by gas chromatography-quadrupole time-of-flight mass spectrometry (GC-QTOF-MS), ultra-high performance liquid chromatography-linear ion trap quadrupole-orbitrap mass spectrometry (UPLC-LTQ-Orbitrap MS) and 1H-nuclear magnetic resonance spectroscopy (1H-NMR). Results After detection by GC-QTOF-MS, the components of white powder showed main characteristic fragment ion peaks at m/z 218.141 0 (molecular ion peak), 72.080 6 (base peak), etc. After detection by UPLC-LTQ-Orbitrap MS, its protonated molecular ion was m/z 219.149 4. The main ions in the secondary mass spectrum under the collision-induced dissociation (CID) mode were m/z 160.076 3 and 72.080 8. After detection by GC-QTOF-MS, the components of brown powder showed main characteristic fragment ion peaks at m/z 246.135 7 (molecular ion peak), 58.065 1 (base peak), etc. After detection by UPLC-LTQ-Orbitrap MS, its protonated molecular ion was m/z 247.145 0. The main ions in the secondary mass spectrum under CID mode were m/z 202.087 1, 160.076 3 and 134.060 5. NIST 17 library retrieval and 1H-NMR confirmed that the white powder and brown powder contained new psychoactive tryptamines 4-OH-MET and 4-AcO-DMT, respectively. Conclusion GC-QTOF-MS, UPLC-LTQ-Orbitrap MS and 1H-NMR can be used together to identify unknown new psychoactive substances.
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    Determination of Three Types of New Psychoactive Tryptamines in Blood by QuEChERS Combined with UPLC-MS/MS
    HOU Wei, WANG Yan-yan, ZHANG Ying, et al.
    2021, 37(4): 516-523.  DOI: 10.12116/j.issn.1004-5619.2021.310205
    Abstract ( 316 )   PDF (1513KB) ( 1117 )  
    Objective To establish a method combining QuEChERS and ultra-high liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) for rapid screening and testing of three types of new psychoactive tryptamines in human blood: 5-MeO-DALT, 5-MeO-MiPT and 5-MeO-DiPT. Methods The effects of the type of extractant, the type and dosage of salting-out agent, and the dosage of adsorbent on the test results of the three tryptamines were investigated. Blood samples were processed by QuEChERS method and then determined by UPLC-MS/MS. Results The linear relationships of 5-MeO-DALT, 5-MeO-MiPT and 5-MeO-DiPT in human blood were good in the range of 0.5-100, 0.5-100 and 0.2-100 ng/mL, respectively, with their coefficients higher than 0.99. The limits of detection (LODs) were 0.1-0.2 ng/mg. The recoveries ranged from 84.86% to 94.57%. Intra-day and inter-day precisions were good. Conclusion The method is simple, rapid, easy to operate and has a high recovery. It is suitable for the qualitative and quantitative study of tryptamines in blood and can provide the reference for public security organs to deal with related cases.
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    Application of Correspondence Analysis in the Analysis of Accidental Death of Chinese Residents
    YANG Tie-shan, LAN Zhao-xing, AN Zhi-yuan
    2021, 37(4): 533-538.  DOI: 10.12116/j.issn.1004-5619.2020.400311
    Abstract ( 326 )   PDF (1739KB) ( 1146 )  
    Objective To study the preference relation between residence, sex, age and causes of accidental death of Chinese residents. Methods In this study, 72 residence-sex-age groups and 8 causes of accidental death were qualitatively and quantitatively analyzed by correspondence analysis using the official statistical yearbook issued from 2014 to 2018, and the preference values were calculated. Results Among the 576 pairs of correspondences between the residence-sex-age groups and causes of accidental death, 352 pairs (61.11%) showed a preference relation (preference value>0). In terms of residence and sex, accidental death preference among Chinese residents was higher in rural areas than in urban areas, and males were higher than females. In terms of the causes of accidental death, the overall risk of accidental mechanical asphyxia and motor vehicle accidents was the highest among all age groups of Chinese residents. In terms of age, with the increase of age, the preference value of accidental death of Chinese residents showed a trend of first increasing and then decreasing. The comparative analysis results of the preference values of various causes of accidental death in different age groups showed that motor vehicle traffic accidents, accidental poisoning, death by crush and electric shock were more likely to occur in the working age group between 20 and 59 years old, accidental fall and fire were more likely to occur in the elderly group over 80 years old, and drowning and accidental mechanical asphyxia were more likely to occur in the minor group between 1 and 19 years old. Conclusion There are different preference relations between residence-sex-age groups and causes of accidental death in China. Therefore, effective control strategies and measures should be formulated for Chinese residents with preference for accidental death.
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    SNP Panel Analysis of Ancestry Inference in East Asian Populations
    JIA Zhen-jun, GAO Chun-fang, QIAN Zun-lei, et al.
    2021, 37(4): 539-545.  DOI: 10.12116/j.issn.1004-5619.2020.500713
    Abstract ( 548 )   PDF (7603KB) ( 1591 )  
    Objective To develop an SNP Panel for East Asian population, which has a high individual identification rate and the capability of ancestry analysis. Methods The 55 SNP Panel by Professor KIDD of Yale University and the 128 SNP Panel by Professor SELDIN of Davis School of California University, 170 SNP Panel in total was used as the basis and its test data in the East Asian population was collected. The genetic parameters of SNP loci were calculated and combined with the results of heatmap analysis to screen SNP loci suitable for East Asian population. Some Tibetan and Han samples were tested. The possibility of using the SNP loci in ancestry inference was analyzed by means of STRUCTURE analysis, principal component analysis and heatmap analysis. Results A Panel with 45 SNPs (45 SNP Panel) was screened out, and the average genetic parameters of each SNP were better than 170 SNP Panel, with the same ancestry analysis and inference ability. Conclusion In terms of ancestry inference information, the 45 SNP Panel can completely replace the 170 SNP Panel and achieve the same ancestry analysis and inference ability. In genetic parameters, 45 SNP Panel is better than 170 SNP Panel in the East Asian population, which shows its important potential forensic application value.
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    Deep Learning-Based Cardiac Imaging Data Measurement and Its Application in Diagnosis of Sudden Cardiac Death
    LI Ze-hao, LIU Ning-guo, DONG He-wen, et al.
    2021, 37(4): 546-554.  DOI: 10.12116/j.issn.1004-5619.2021.410503
    Abstract ( 534 )   PDF (1365KB) ( 1552 )  
    In the field of forensic medicine, diagnosis of sudden cardiac death is limited by subjective factors and manual measurement methods, so some parameters may have estimation deviation or measurement deviation. As postmortem CT imaging plays a more and more important role in the appraisal of cause of death and cardiopathology research, the application of deep learning such as artificial intelligence technology to analyze vast amounts of cardiac imaging data has provided a possibility for forensic identification and scientific research workers to conduct precise diagnosis and quantitative analysis of cardiac diseases. This article summarizes the main researches on deep learning in the field of cardiac imaging in recent years, and proposes a feasible development direction for the application of deep learning in the virtual anatomy of sudden cardiac death at present.
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    Research Progress on Touch DNA on Cartridge Cases in Forensic Field
    XIN Yang
    2021, 37(4): 555-560.  DOI: 10.12116/j.issn.1004-5619.2021.510601
    Abstract ( 415 )   PDF (959KB) ( 1114 )  
    Cartridge cases are crucial physical evidence in gun-related crimes. The successful identification of the touch DNA on cartridge cases can help to screen the suspects and reconstruct the gun-related crime scene. With the improvement of DNA extraction methods and the sensitivity of amplification kit, forensic examiners are expected to obtain more valuable information by testing the touch DNA on cartridge cases. In practical cases, the touch DNA detection on cartridge cases often encounters with low DNA content degradation, mixing and the gunshot residual interference, which brings more challenges to DNA examination and identification. This article reviews forensic research of touch DNA on the cartridge cases from the aspects of factors affecting touch DNA on cartridge cases, advances in the extraction and amplification methods, and the practical applications in order to provide reference for forensic identification of touch DNA on the cartridge cases in real cases.
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    Research Progress on the Effect of Synthetic Cathinones on Animal Behavior
    HUANG Zhi-bin, CAI Juan, LIN Ze-bin, et al.
    2021, 37(4): 561-568.  DOI: 10.12116/j.issn.1004-5619.2021.310406
    Abstract ( 534 )   PDF (1107KB) ( 1215 )  
    Synthetic cathinones are a class of new psychoactive substances with a structure similar to amphetamine drugs, which can produce excitatory effects similar to drugs such as amphetamine and cocaine after being taken. In recent years, the abuse of synthetic cathinones worldwide has become increasingly serious, posing a serious threat to social security and public health. This article focuses on several common synthetic cathinones, collects their research results in animal autonomous activity experiments and drug dependence model experiments and summarizes their relevant experimental conclusions in animal body temperature regulation, learning and memory, and anxiety, in order to provide data reference and method guidance for the domestic development of related drug research.
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