The purpose of this study was to investigate the nuclear magnetic resonance （NMR） assignments of hydrolyzed products extracted from human blood plasma. The correlations between chemical, functional and structural pr...The purpose of this study was to investigate the nuclear magnetic resonance （NMR） assignments of hydrolyzed products extracted from human blood plasma. The correlations between chemical, functional and structural prop- erties of highly toxic pesticides were investigated using the PreADME analysis. We observed that toxic pesticides possessed higher molecular weight and, more hydrogen bond donors and acceptors when compared with less toxic pesticides. The occurrence of functional groups and structural properties was analyzed using ~H-NMR. The ~H- NMR spectra of the phosphomethoxy class of pesticides were characterized by methyl resonances at 3.7-3.9 ppm （8） with the coupling constants of 11-16 Hz （Je-cns）. In phosphoethoxy pesticides, the methyl resonance was about 1.4 ppm （8） with the coupling constant of 10 Hz （Je-cH2） and the methylene resonances was 4.2-4.4 ppm （8） with the coupling constant of 0.8 Hz （Jp-cH3）, respectively. Our study shows that the values of four parameters such as chemical shift, coupling constant, integration and relaxation time correlated with the concentration of toxic pesticides, and can be used to characterise the proton groups in the molecular structures of toxic pesticides.展开更多
为深入探究小麦胚芽中的脂质成分,该研究采用不同溶剂分别提取小麦胚芽中的磷脂和中性脂质,利用核磁共振技术(nuclear magnetic resonance,NMR)对小麦胚芽中的脂质成分进行分析,结果表明:^(31)P NMR在小麦胚芽中检测到6种磷脂和相对应的...为深入探究小麦胚芽中的脂质成分,该研究采用不同溶剂分别提取小麦胚芽中的磷脂和中性脂质,利用核磁共振技术(nuclear magnetic resonance,NMR)对小麦胚芽中的脂质成分进行分析,结果表明:^(31)P NMR在小麦胚芽中检测到6种磷脂和相对应的5种溶血性磷脂,以及非脂质含磷化合物甘油磷脂酰胆碱(GPC);磷脂中含量最高的是磷脂酰胆碱(PC),其摩尔浓度为0.42μmol/g,摩尔分数为28.50%,质量浓度为0.31 mg/g,质量分数为30.20%;^(1)H NMR测定小麦胚芽中的多种中性脂质组成及含量,包括甘油三酯(TG)、甘油二酯(DG)、甘油单酯(MG)和游离脂肪酸(FA),其中含量最高的甘油酯是TG,占比为77.25%,含量最低的是2-甘油单酯(2-MG),占比为0.03%;小麦胚芽的甘油三酯和磷脂中检测出亚油酸(L)、油酸(O)和亚麻酸(Ln)等6种不饱和脂肪酸,其中亚油酸的含量最高,在甘油三酯中占比56.26%,在磷脂中占比45.37%。溶血性磷脂和GPC是磷脂的水解产物,DG、MG和FA是甘油三酯的水解产物,这些物质可以反映样品中脂质的水解程度。研究结果表明,利用NMR不仅能够对小麦胚芽脂质的组分进行定性定量分析,而且可以监测小麦胚芽脂质水解程度的变化。NMR技术在小麦胚芽相关产品的脂质分析研究具有重要作用。展开更多
With the energy parameters obtained from1H nuclear magnetic resonance(NMR)chemical shifts data by local composition model and coupled with azeotropic point,the low-pressure vapor-liquid equilibrium is satisfactorily p...With the energy parameters obtained from1H nuclear magnetic resonance(NMR)chemical shifts data by local composition model and coupled with azeotropic point,the low-pressure vapor-liquid equilibrium is satisfactorily predicted for alcohol+hexane,alcohol+cyclohexane,and alcohol+benzene binary systems at different temperatures.The relationship between the spectroscopic information and thermodynamic property is presented.展开更多
建立了核磁共振氟谱法测定氰化物的氟化衍生化合物1-氰基-2,2,2-三氟-1-苯乙基乙酸酯(CTPA)含量的方法。以乙酸3-氟苄酯为内标,采用5mm Auto XBB探头,探头温度298.2K,考察了不同浓度化合物的定量条件;通过比较化合物样品定量峰与内标物...建立了核磁共振氟谱法测定氰化物的氟化衍生化合物1-氰基-2,2,2-三氟-1-苯乙基乙酸酯(CTPA)含量的方法。以乙酸3-氟苄酯为内标,采用5mm Auto XBB探头,探头温度298.2K,考察了不同浓度化合物的定量条件;通过比较化合物样品定量峰与内标物质响应峰面积,计算化合物的含量。结果该化合物的19 F-NMR检测方法在0.5~50μg/mL具有良好的线性(r2=0.9966),该方法的定量限0.5μg/mL,检出限0.2μg/mL;同时考察了该化合物在不同浓度下的测量准确度。展开更多
目的探讨氢质子磁共振波谱分析(1H-MRS)在碘异常引起脑损伤病变中的应用价值。方法收集临床诊断碘异常引起脑损伤的病例28例,其中低碘组16例,高碘组12例。使用西门子1.5 T MRI,多体素相位矩阵扫描。检测低碘组和高碘组病人海马区与正常...目的探讨氢质子磁共振波谱分析(1H-MRS)在碘异常引起脑损伤病变中的应用价值。方法收集临床诊断碘异常引起脑损伤的病例28例,其中低碘组16例,高碘组12例。使用西门子1.5 T MRI,多体素相位矩阵扫描。检测低碘组和高碘组病人海马区与正常参照区域的代谢物浓度,利用SPSS12.0分析各种代谢物的变化。结果1H-MRS示低碘组胆碱降低、γ-氨基丁酸、N-乙酰天门冬氨酸减少;高碘组胆碱增加、谷氨酸升高,γ-氨基丁酸、N-乙酰天门冬氨酸减少。结论1H-MRS在碘异常引起脑损伤病变定性诊断中有重要的临床价值。展开更多
The ^1 H nuclear magnetic resonance （^1 H NMR） fingerprints of fractionated non-polar extracts （control substance for a plant drug （CSPD） A） from Rhizoma chuanxiong, the rhizomes of Ligusticum chuanxiong Hort., ...The ^1 H nuclear magnetic resonance （^1 H NMR） fingerprints of fractionated non-polar extracts （control substance for a plant drug （CSPD） A） from Rhizoma chuanxiong, the rhizomes of Ligusticum chuanxiong Hort., of seven specimens from different sources were measured on Fourier Transform （FT）-NMR spectrometer and assigned by comparing them with the ^1 H NMR spectra of the isolated pure compounds. The ^1 H NMR fingerprints showed exclusively characteristic resonance signals of the major special constituents of the plant. Although the differences in the relative intensity of the ^1H NMR signals due to a discrepancy in the ratio of the major constituents among these samples could be confirmed by high performance liquid chromatography analysis, the general features of the ^1H NMR fingerprint established for an authentic sample of the rhizomes of L. chuanxiong e. hibited exclusive data from those special compounds and can be used for authenticating L. Chuanxiong species.展开更多
Background Spinal cord injury （SCI） is a complex trauma that consists of multiple pathological mechanisms involving cytotoxic, oxidation stress and immune-endocrine. This study aimed to establish plasma metabonomics...Background Spinal cord injury （SCI） is a complex trauma that consists of multiple pathological mechanisms involving cytotoxic, oxidation stress and immune-endocrine. This study aimed to establish plasma metabonomics fingerprinting atlas for SCI using 1H nuclear magnetic resonance （NMR） based metabonomics methodology and principal component analysis techniques.Methods Nine Sprague-Dawley （SD） male rats were randomly divided into SCI, normal and sham-operation control groups. Plasma samples were collected for 1H NMR spectroscopy 3 days after operation. The NMR data were analyzed using principal component analysis technique with Matlab software.Results Metabonomics analysis was able to distinguish the three groups （SCI, normal control, sham-operation）. The fingerprinting atlas indicated that, compared with those without SCI, the SCI group demonstrated the following characteristics with regard to second principal component： it is made up of fatty acids, myc-inositol, arginine, very low-density lipoprotein （VLDL）, low-density lipoprotein （LDL）, triglyceride （TG）, glucose, and 3-methyl-histamine.Conclusions The data indicated that SCI results in several significant changes in plasma metabolism early on and that a metabonomics approach based on 1H NMR spectroscopy can provide a metabolic profile comprising several metabolite classes and allow for relative quantification of such changes. The results also provided support for further development and application of metabonomics technologies for studying SCI and for the utilization of multivariate models for classifying the extent of trauma within an individual.展开更多
随着人民生活水平的不断提高,葡萄酒在我国广泛受到消费者的喜爱。近年来中国葡萄酒市场日渐壮大,假冒现象日渐严重,因此,开展葡萄酒的真实性研究也变得至关重要。本文综述了国内外近16年来核磁共振氢谱(^(1)H-nuclear magnetic resonan...随着人民生活水平的不断提高,葡萄酒在我国广泛受到消费者的喜爱。近年来中国葡萄酒市场日渐壮大,假冒现象日渐严重,因此,开展葡萄酒的真实性研究也变得至关重要。本文综述了国内外近16年来核磁共振氢谱(^(1)H-nuclear magnetic resonance,^(1)H-NMR)技术在葡萄酒真实性鉴别中的应用现状,重点阐述了^(1)H-NMR技术在葡萄酒产地、品种和年份真实性鉴别方面的研究进展,旨在为启迪和推动我国葡萄酒真实性鉴别及促进葡萄酒真实性鉴别的深入研究提供思路和借鉴。展开更多
文摘The purpose of this study was to investigate the nuclear magnetic resonance （NMR） assignments of hydrolyzed products extracted from human blood plasma. The correlations between chemical, functional and structural prop- erties of highly toxic pesticides were investigated using the PreADME analysis. We observed that toxic pesticides possessed higher molecular weight and, more hydrogen bond donors and acceptors when compared with less toxic pesticides. The occurrence of functional groups and structural properties was analyzed using ~H-NMR. The ~H- NMR spectra of the phosphomethoxy class of pesticides were characterized by methyl resonances at 3.7-3.9 ppm （8） with the coupling constants of 11-16 Hz （Je-cns）. In phosphoethoxy pesticides, the methyl resonance was about 1.4 ppm （8） with the coupling constant of 10 Hz （Je-cH2） and the methylene resonances was 4.2-4.4 ppm （8） with the coupling constant of 0.8 Hz （Jp-cH3）, respectively. Our study shows that the values of four parameters such as chemical shift, coupling constant, integration and relaxation time correlated with the concentration of toxic pesticides, and can be used to characterise the proton groups in the molecular structures of toxic pesticides.
基金Supported by the Research Project Foundation of the Education Department of Zhejiang Province （20061157）, the Natural Science Foundation of Zhejiang Province （Y4090453）, and the Key Research Project Foundation of Shaoxing University.
文摘With the energy parameters obtained from1H nuclear magnetic resonance(NMR)chemical shifts data by local composition model and coupled with azeotropic point,the low-pressure vapor-liquid equilibrium is satisfactorily predicted for alcohol+hexane,alcohol+cyclohexane,and alcohol+benzene binary systems at different temperatures.The relationship between the spectroscopic information and thermodynamic property is presented.
文摘建立了核磁共振氟谱法测定氰化物的氟化衍生化合物1-氰基-2,2,2-三氟-1-苯乙基乙酸酯(CTPA)含量的方法。以乙酸3-氟苄酯为内标,采用5mm Auto XBB探头,探头温度298.2K,考察了不同浓度化合物的定量条件;通过比较化合物样品定量峰与内标物质响应峰面积,计算化合物的含量。结果该化合物的19 F-NMR检测方法在0.5~50μg/mL具有良好的线性(r2=0.9966),该方法的定量限0.5μg/mL,检出限0.2μg/mL;同时考察了该化合物在不同浓度下的测量准确度。
文摘目的探讨氢质子磁共振波谱分析(1H-MRS)在碘异常引起脑损伤病变中的应用价值。方法收集临床诊断碘异常引起脑损伤的病例28例,其中低碘组16例,高碘组12例。使用西门子1.5 T MRI,多体素相位矩阵扫描。检测低碘组和高碘组病人海马区与正常参照区域的代谢物浓度,利用SPSS12.0分析各种代谢物的变化。结果1H-MRS示低碘组胆碱降低、γ-氨基丁酸、N-乙酰天门冬氨酸减少;高碘组胆碱增加、谷氨酸升高,γ-氨基丁酸、N-乙酰天门冬氨酸减少。结论1H-MRS在碘异常引起脑损伤病变定性诊断中有重要的临床价值。
基金Supported by the National Natural Science Foundation of China (30630073)the Science Foundation of the State Administration of Traditional ChineseMedicine, China (02-03ZP09)
文摘The ^1 H nuclear magnetic resonance （^1 H NMR） fingerprints of fractionated non-polar extracts （control substance for a plant drug （CSPD） A） from Rhizoma chuanxiong, the rhizomes of Ligusticum chuanxiong Hort., of seven specimens from different sources were measured on Fourier Transform （FT）-NMR spectrometer and assigned by comparing them with the ^1 H NMR spectra of the isolated pure compounds. The ^1 H NMR fingerprints showed exclusively characteristic resonance signals of the major special constituents of the plant. Although the differences in the relative intensity of the ^1H NMR signals due to a discrepancy in the ratio of the major constituents among these samples could be confirmed by high performance liquid chromatography analysis, the general features of the ^1H NMR fingerprint established for an authentic sample of the rhizomes of L. chuanxiong e. hibited exclusive data from those special compounds and can be used for authenticating L. Chuanxiong species.
文摘Background Spinal cord injury （SCI） is a complex trauma that consists of multiple pathological mechanisms involving cytotoxic, oxidation stress and immune-endocrine. This study aimed to establish plasma metabonomics fingerprinting atlas for SCI using 1H nuclear magnetic resonance （NMR） based metabonomics methodology and principal component analysis techniques.Methods Nine Sprague-Dawley （SD） male rats were randomly divided into SCI, normal and sham-operation control groups. Plasma samples were collected for 1H NMR spectroscopy 3 days after operation. The NMR data were analyzed using principal component analysis technique with Matlab software.Results Metabonomics analysis was able to distinguish the three groups （SCI, normal control, sham-operation）. The fingerprinting atlas indicated that, compared with those without SCI, the SCI group demonstrated the following characteristics with regard to second principal component： it is made up of fatty acids, myc-inositol, arginine, very low-density lipoprotein （VLDL）, low-density lipoprotein （LDL）, triglyceride （TG）, glucose, and 3-methyl-histamine.Conclusions The data indicated that SCI results in several significant changes in plasma metabolism early on and that a metabonomics approach based on 1H NMR spectroscopy can provide a metabolic profile comprising several metabolite classes and allow for relative quantification of such changes. The results also provided support for further development and application of metabonomics technologies for studying SCI and for the utilization of multivariate models for classifying the extent of trauma within an individual.
文摘随着人民生活水平的不断提高,葡萄酒在我国广泛受到消费者的喜爱。近年来中国葡萄酒市场日渐壮大,假冒现象日渐严重,因此,开展葡萄酒的真实性研究也变得至关重要。本文综述了国内外近16年来核磁共振氢谱(^(1)H-nuclear magnetic resonance,^(1)H-NMR)技术在葡萄酒真实性鉴别中的应用现状,重点阐述了^(1)H-NMR技术在葡萄酒产地、品种和年份真实性鉴别方面的研究进展,旨在为启迪和推动我国葡萄酒真实性鉴别及促进葡萄酒真实性鉴别的深入研究提供思路和借鉴。
