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Determination of selected semi-volatile organic compounds in water using automated online solid-phase extraction with large-volume injection/gas chromatography/mass spectrometry

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Frontiers of Environmental Science & Engineering 2011年第3期5卷 417-425页

作者： Yongtao LI Christina L.MCCARTY Ed J.GEORGE Drinking Water Quality Laboratory Underwriters Laboratories Inc.South BendIN 46617USA Chemical Analysis Bruker DaltonicsFremontCA 94538USA

A rapid,sensitive,and cost-effective analyticalmethod was developed for the analysis of selected semivolatileorganic compounds in *** method used anautomated online solid-phase extraction technique coupledwith programmed-temperature vaporization large-volumeinjection gas chromatography/mass *** samples were extracted by using a fully automatedmobile rack system based on x-y-z robotic techniquesusing syringes and disposable 96-well extraction *** method was validated for the analysis of 30 semivolatileanalytes in drinking water,groundwater,andsurface *** a sample volume of 10 mL,the linearcalibrations ranged from 0.01 or 0.05 to 2.5μg·L^(-1),and themethod detection limits were less than 0.1μg·L^(-1).For thereagent water samples fortified at 1.0μg·L^(-1)and2.0μg·L^(-1),the obtained mean absolute recoveries were70%-130%with relative standard deviations of less than20%for most *** the drinking water,groundwater,and surface water samples fortified at 1.0μg·L^(-1),theobtained mean absolute recoveries were 50%-130%withrelative standard deviations of less than 20%for *** new method demonstrated three advantages:1)no manipulation except the fortification of surrogatestandards prior to extraction;2)significant cost reductionassociated with sample collection,shipping,storage,andpreparation;and 3)reduced exposure to hazardous solventsand other *** a result,this new automatedmethod can be used as an effective approach for screeningand/or compliance monitoring of selected semi-volatileorganic compounds in water.

关键词： automated solid-phase extraction programmed-temperature vaporization large-volume injection gas chromatography/mass spectrometry semi-volatile organic compounds water analysis

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Response to weaning and dietary L-glutamine supplementation:metabolomic analysis in piglets by gas chromatography/mass spectrometry

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2012年第7期13卷 567-578页

作者： Ying-ping XIAO Tian-xing WU Qi-hua HONG Jiang-ming SUN An-guo CHEN Cai-mei YANG Xiao-yan LI College of Animal Sciences Zhejiang UniversityHangzhou 310058China Key Laboratory for Molecular Design and Nutrition EngineeringNingbo Institute of TechnologyZhejiang UniversityNingbo 315100China Department of Chemistry Tongji UniversityShanghai 200092China

A novel metabolomic method based on gas chromatography/mass spectrometry （GC-MS） was applied to determine the metabolites in the serum of piglets in response to weaning and dietary L-glutamine （Gin） supplementation. Thirty-six 21-d-old piglets were randomly assigned into three groups. One group continued to suckle from the sows （suckling group）, whereas the other two groups were weaned and their diets were supplemented with 1% （w/w） Gin or isonitrogenous L-alanine, respectively, representing Gin group or control group. Serum samples were collected to characterize metabolites after a 7-d treatment. Results showed that twenty metabolites were down-regulated significantly （P〈0.05） in control piglets compared with suckling ones. These data demonstrated that early weaning causes a wide range of metabolic changes across arginine and proline metabolism, aminosugar and nucleotide metabolism, galactose metabolism, glycerophospholipid metabolism, biosynthesis of unsaturated fatty acid, and fatty acid metabolism. Dietary Gin supplementation increased the levels of creatinine, D-xylose, 2-hydroxybutyric acid, palmitelaidic acid, and a-L-galactofuranose （P〈0.05） in eady weaned piglets, and were involved in the arginine and proline metabolism, carbohydrate metabolism, and fatty acid metabolism. A leave-one-out cross-validation of random forest analysis indicated that creatinine was the most important metabolite among the three groups. Notably, the concentration of creatinine in control piglets was decreased （P=0.00001） compared to the suckling piglets, and increased （P=0.0003） in Gin-supplemented piglets. A correlation network for weaned and suckling piglets revealed that early weaning changed the metabolic pathways, leading to the abnormality of carbohydrate metabolism, amino acid metabolism, and lipid metabolism, which could be partially improved by dietary Gin supplementation. These findings provide fresh insight into the complex metabolic changes in response to early weaning

关键词： Piglet Metabolomics Weaning Glutamine gas chromatography/mass spectrometry

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Headspace Solid-Phase Micro-Extraction gas chromatography/mass spectrometry(HS-SPME-GC/MS)-Based Untargeted Metabolomics Analysis for Comparing the Volatile Components from 12 Panax Herbal Medicines

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Phyton-International Journal of Experimental Botany 2022年第7期91卷 1353-1364页

作者： Simiao Wang Xiaohang Li Meiting Jiang Xinlong Wu Yuying Zhao Meiyu Liu Xiaoyan Xu Huimin Wang Hongda Wang Heshui Yu Wenzhi Yang State Key Laboratory of Component-Based Chinese Medicine&Tianjin Key Laboratory of TCM Chemistry and Analysis Tianjin University of Traditional Chinese MedicineTianjin301617China College of Pharmaceutical Engineering of Traditional Chinese Medicine Tianjin University of Traditional Chinese MedicineTianjin301617China

Quality control of ginseng currently is mainly based on ginsenoside analysis,but rarely focuses on the volatile organic *** the current work,an untargeted metabolomics approach,by headspace solid-phase micro-extraction gas chromatography/mass spectrometry(HS-SPME-GC/MS),was elaborated and further employed to holistically compare the compositional difference of the volatile components simultaneously from 12 Panax herbal medicines,which included ***(PG),***(PQ),***(PN),red ginseng(PGR),*** leaf(PGL),*** leaf(PQL),*** leaf(PNL),*** flower(PGF),*** flower(PQF),*** flower(PNF),***(PJ),and *** ***(PJvm).Chromatographic separation was performed on an HP-5MS elastic quartz capillary column using helium as the carrier gas,enabling good resolution within 1 *** were able to characterize totally 259 volatile compounds,including 82 terpenes(T),46 alcohols(Alc),29 ketones(K),25 aldehydes(Ald),21 esters(E),and the *** analyzing 90 batches of ginseng samples based on the untargeted metabolomics workflows,236 differential ions were unveiled,and accordingly 36 differential volatile components were *** is the first report that simultaneously compares the compositional difference of volatile components among 12 Panax herbal medicines,and useful information is provided for the quality control of ginseng aside from the well-known ginsenosides.

关键词： Headspace solid-phase micro-extraction gas chromatography/mass spectrometry Panax volatile component untargeted metabolomics

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Determination of Methadone and Eight New Psychoactive Substances in Hair Samples by gas chromatography/mass spectrometry

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Journal of Forensic Science and Medicine 2018年第4期4卷 184-191页

作者： Luca Anzillotti Luca Cald Marianna Giacalone Antonio Banchini Rossana Cecchi Department of Medicine and Surgery Institute of Legal MedicineUniversity of ParmaParmaItaly

Many new psychoactive substances(NPSs)with different chemical structures have emerged in the illicit drug market in the last *** present work was aimed at the development of a simple method in gas chromatography/mass spectrometry(MS)for the determination of NPS of different classes,the use of cannabinoids,and,at the same time,the evaluation of methadone therapy in hair matrix,within our routine analysis control for methadone treatment or from autopsy *** determination of synthetic cannabinoids and methadone therapy used an extraction method based on incubation in concentrated sodium hydroxide(NaOH)solution,providing a dissolution of the keratin *** described method was applied on 15 authentic specimens from our cases:five showed the presence of methadone and 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine(EDDP).The described method can be useful not only in the forensic investigation of NPS-related addiction histories but also in epidemiological and retrospective studies on the spread of NPS among specific safety-sensitive social *** GC instrument was an Agilent 7820A(Agilent Technologies,Santa Clara,CA,USA),and the detection system was an Agilent 5977B single quadrupole MS operating in selective ion monitoring *** parameters such as limit of detections(LODs),limit of quantifications(LOQs),repeatability,accuracy,and linearity were satisfactory for its application on real ***,LOQs,2?2,%CY standard deviation,and the mean concentration for the analyzed compounds are reported in Table *** and repeatability were acceptable for all the analytes at their respective *** experiments varied from 58.3%to 103.0%,thus allowing the application on authentic *** described method can be useful not only in the forensic investigation ofNPS-related addiction histories but also in epidemiological and retrospective studies on the spread of NPS among specific safety-sensitive social workers,such as drivers.

关键词： Drugs of abuse forensic gas chromatography/mass spectrometry hair new psychoactive substance toxicology

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Determination of Chlorofluorocarbons in Groundwater by Purge and Trap and Secondary Cold Trap Coupled with gas chromatography/mass spectrometry

Determination of Chlorofluorocarbons in Groundwater by Purge...

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中国科学院地质与地球物理研究所2013年度（第13届）学术年会

作者： ZHANG Jiang-Yi LI Guo-Min GUO Wei Key Laboratory of Engineering Geomechanics Institute of Geology and GeophysicsChinese Academy of Sciences State Key Laboratory of Biogeology and Environmental Geology School of Environmental StudiesChina University of Geosciences

A method was established to determine the chlorofluorocarbons(CFCs) in groundwater by purge and trap and secondary cold trap coupled with gas chromatography/mass spectrometry(GC-MS).The groundwater samples were processed with absorption/thermal desorption/cold trap/thermal desorption,and GC-MS was used for quantitative and confirmatory *** results showed that the relative standard deviations of chlorotrifluoromethane(CFC-11),dichlorodifluoromethane(CFC-12) and 1,1,2-trichlorotrifluoromethane(CFC-113) were 1.1%,0.9%and 1.5%.The method linearity range of the CFC-11,CFC-12 and CFC-113 were 0.09×10-3.0×10 M,0.04×10-3.0×10M and 4.0×10-4.0×10M,*** correlation coefficients were greater than *** detection limit of CFC-11,CFC-12,CFC-113 were 4.4×10M,1.6×10M and 5.36×10M,*** average recovery of the spiked samples was 95.4%-102.0%.The method was quick,sensitive,easy and feasible for the detection of CFCs in *** to the analysis results,the apparent age of groundwater can be calculated.

关键词： Chlorofluorocarbons Groundwater gas chromatography/mass spectrometry Purge and trap

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Phytochemical constituents,antioxidant and antibacterial activities of methanolic extract of Ardisia elliptica

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Asian Pacific Journal of Tropical Biomedicine 2017年第6期7卷 569-576页

作者： Nazeh M.Al-Abd Zurainee Mohamed Nor Marzida Mansor Asdren Zajmi Mohd Shahnaz Hasan Fadzly Azhar Mustafa Kassim Department of Parasitology Faculty of MedicineUniversity of Malaya Faculty of Medicine and Health Sciences University of Aden Department of Anesthesiology Faculty of MedicineUniversity of Malaya Department of Diagnostic and Allied Health Sciences Faculty of Health and Life SciencesManagement and Science University Department of Chemistry Faculty of ScienceUniversity of Malaya

Objective:To investigate the antioxidant,antibacterial,and chemical ingredients of Ardisia elliptica(***) methanolic ***:The plant was extracted using *** and antioxidant activities were ***:The results showed that both fruit and leaf extract of *** have significant antibacterial activities against Gram-positive and Gram-negative *** extracts showed higher content of phenolic(71 ± 0.03 GAE/mg extract dry weight),in comparison to the leaf extracts(37 ± 0.05 GAE/mg extract dry weight).Flavonoid content,and Fe2+chelating activity of fruit extracts were higher than leaf *** percentage radical inhibition of fruit extract is found to be higher(70%) than that of leaf extract(60%).LCMS results indicated that the major compounds in the fruit extract were Gingerol,Aspidin,Kampherol,and Stercuresin,while the leaf extract contained Gingerol,Aspidin,Triangularin,and Salicyl acyl ***,the results of GCMS indicated that fruit extract contained these major compounds:Vitamin E Tocopherol,5-hepylresornicol,2-Nonylmalonic acid,5-pentadecylresornicol,and ***,leaf extract of *** contained these major compounds:Alpha Amyrenol,4,4,6,6a,6b,8,8a,9,10,11,12,12 a,14,14 a,14 b octadehydro-2H-picen-3-one,and Lonasterol,4-t-Butyl-2-[4-nitrophenyl] ***:The results provide evidence that fruit and leaf of *** extracts might indeed be used as a potential source of effective natural antimicrobial and antioxidant agents in pharmaceutical and food industries.

关键词： Ardisia elliptica Antioxidant capacity Total phenol content gas chromatography/mass spectrometry Liquid chromatography/mass spectrometry

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Metabonomics fingerprint of volatile organic compounds in serum and urine of pregnant women with gestational diabetes mellitus

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World Journal of Diabetes 2022年第10期13卷 888-899页

作者： Si-Ri-Gu-Leng Sana Guang-Min Chen Yang Lv Lei Guo En-You Li Department of Anesthesiology The First Affiliated Hospital of Harbin Medical UniversityHarbin 150001Heilongjiang ProvinceChina

BACKGROUND Gestational diabetes mellitus(GDM)is a metabolic disease with an increasing annual incidence *** previous observational study found that pregnant women with GDM had mild cognitive *** To analyze the changes in metabonomics in pregnant women with GDM and explore the mechanism of cognitive function *** Thirty GDM patients and 30 healthy pregnant women were ***-phase microextraction gas chromatography/mass spectrometry was used to detect organic matter in plasma and urine *** analyses were conducted using principal component analysis and partial least squares discriminant *** Differential volatile metabolites in the serum of pregnant women with GDM included hexanal,2-octen-1-ol,and *** volatile metabolites in the urine of these women included benzene,cyclohexanone,1-hexanol,and *** the differential metabolites,the conversion of 2-propanol to acetone may further produce ***,2-propanol may be a potential marker for serum *** 2-propanol may be a potential volatile marker to evaluate cognitive impairment in pregnant women with GDM.

关键词： Gestational diabetes mellitus gas chromatography/mass spectrometry Humoral biomarkers 2-propanol

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Chemical and physical variations of cannabis smoke from a variety of cannabis samples in New Zealand

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Forensic Sciences Research 2019年第2期4卷 168-178页

作者： Thomas J.Sheehan Hilary J.Hamnett Richard Beasley Paul S.Fitzmaurice Toxicology Institute of Environmental Science and Research(ESR)PoriruaNew Zealand Medical Research Institute of New Zealand WellingtonNew Zealand Toxicology Unit Imperial College LondonLondonUK. Gribbles Veterinary Palmerston NorthNew Zealand

Studies have compared the chemical properties of tobacco smoke to those of cannabis smoke,with the objective of identifying the chemical attributes responsible for the mutagenicity and carcinogenicity of cannabis *** studies have included small sample sizes and produced conflicting *** aim of this study was to assess the major chemical and physical variations of cannabis smoke across a range of cannabis samples of different potencies and origins,sourced from the illegal market in New *** cannabis samples were studied ranging from 1.0%to 13.4%delta-9-tetrahydrocannabinol(D9THC)content.A smoking machine was used to smoke“joints”(cannabis cigarettes)and the chemical/physical properties of the smoke *** chemical constituents of the smoke extracts were analysed by gas chromatography/mass spectrometry.A range of different chemical constituents(in addition to D9THC)were identified and their concentrations *** were identified as the major variable in cannabis smoke,showing a 40-fold range in total terpenoid *** of the total particulate matter showed that significantly different levels of particulate matter were produced between the different cannabis samples,ranging from 14.6 to 66.3 mg/g of cannabis *** D9THC delivery efficiency during smoking was also investigated and produced consistent results showing a mean and median of 12.6%and 10.8%,respectively,of the theoretically available D9THC(ranging from 7.2%to 28.0%).

关键词： Forensic science forensic toxicology cannabis smoke delta-9-tetrahydrocannabinol terpenoids gas chromatography/mass spectrometry total particulate matter

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Prediction of gastric cancer metastasis through urinary metabolomic investigation using GC/MS

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World Journal of gastroenterology 2011年第6期17卷 727-734页

作者： Jun-Duo Hu Hui-Qing Tang Jian-Z-hong Gu Qiang Zhang Jing Fan Jing Hong Jin-Lian Chen Medical College Soochow University Suzhou 215213 Jiangsu Province China Shanghai Laboratory Animal Center Chinese Academy of Sciences Shanghai 201615 China Department of gastroenterology Shanghai Sixth People's Hospital Shanghai Jiao Tong University Shanghai 200233 China

AIM:To gain new insights into tumor metabolism and to identify possible biomarkers with potential diagnostic values to predict tumor ***:Human gastric cancer SGC-7901 cells were implanted into 24 severe combined immune deficiency (SCID) mice,which were randomly divided into metastasis group (n=8),non-metastasis group (n=8),and normal group (n=8).Urinary metabolomic information was obtained by gas chromatography/mass spectrometry (GC/MS).RESULTS:There were significant metabolic differences among the three groups (t test,P gastric cancer and metastasis were constructed respectively by the principal component analysis (PCA).These PCA models were confirmed by corresponding receiver operating characteristic analysis (area under the curve=1.00).CONCLUSION:The urinary metabolomic profile is different,and the selected metabolites might be instructive to clinical diagnosis or screening metastasis for gastric cancer.

关键词： Metabolomic profile gastric cancer Metastasis Biomarker gas chromatography/mass spectrometry

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Metabonomics Approach to Understanding Chronic Heat Stress in Rat Models

Metabonomics Approach to Understanding Chronic Heat Stress i...

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中国畜牧兽医学会动物解剖及组织胚胎学分会第十八次学术研讨会

作者： Yuanlong Hou Xiaoyan Wang Zhihai Lei Juan Su Nanjing Agricultural University Shanghai Jiao Tong University

Chronic heat stress(CHS) may trigger systemic biochemical and physiological changes in living *** and more evidence suggests that highly activated under stress conditions neuroendocrine immune network will have a strong and sustained influence the well balanced metabolism of *** reproductive system,heat stress induces germ cell loss and poor quality ***,such a sophisticated metabolic regulatory process has so far been poorly understood,especially from a systemic *** this study,serum,hypothalamus,and epididymis derived from male sprague-dawley(SD) rats exposed to the elevated ambient temperature(40℃) daily for 2 h for seven consecutive days was analyzed using GC/MS in conjunction with modern multivariate statistical *** analysis of this three tissues revealed that sympathetic nervous system(SNS),hypothalamic-pituitary-adrenal axis(HPA) and hypothalamic-pituitary-testis axis(HPT)might be simultaneously affected by chronic heat stress,with Differentially epressed metabolites including metabolites of the energy metabolism,amino acid neurotransmitters,monoamine neurotransmitters etc..Moreover,this metabolites were tightly regulated reproductive *** study provides important mechanistic insights into the effects of HS-induced reproductive and metabolic dysfunction.

关键词： metabonomics chronic heat stress reproductive serum hypothalamus epididymis gas chromatography/mass spectrometry

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