广西产马尾松与湿地松针叶精油化学成分的比较

用水蒸气蒸馏法从广西产马尾松和湿地松的针叶中提取精油,探索了松针投料量和提取时间对产油率的影响,确定了最佳工艺条件为：松针投料量700 g,提取时间5 h。在此最佳条件下马尾松和湿地松针叶的产油率分别为0.45%和0.19%。用气相色谱（GC）和气相色谱-质谱（GC-MS）等方法分别对两树种的针叶精油进行了定量和定性分析,从马尾松针叶精油中分离出64种化学成分,鉴定了其中的20种成分,占挥发油总量的98.59%;从湿地松针叶精油中分离出73种化学成分,鉴定了其中的29种成分,占挥发油总量的94.23%。两树种针叶精油的主要化学成分大致相同,但在含量上有较大差别。马尾松针叶精油中α-蒎烯的含量约为湿地松的2.6倍,但其β-蒎烯含量低于后者。单萜和倍半萜是构成马尾松和湿地松针叶精油的主要成分。     

双花千里光花精油的GC-MS分析

采用气相色谱-质谱联用技术对西藏药用植物双花千里光的花精油进行化学成分分析,共分离出100余个峰,鉴定出其中73个化合物,其含量占精油总量的89％以上。该花精油的成分主要为单萜、倍半萜和脂肪酸及其酯,其中大于2％的成分共有12个,占精油总量的约70％。     

山苍子雄花和雌花挥发油的提取及成分分析

山苍子的根、叶和果实中均含有精油,山苍子油的主要成分为柠檬醛。采用水蒸汽蒸馏法提取山苍子花挥发油,对雄花和雌花分别提取。并利用GC-MS气质联用仪对两组挥发油进行分析检测,确定其化学成分及相对百分含量。从雄花挥发油中鉴定出43种成分(占挥发油总含量的88.15%),从雌花挥发油中鉴定出30种成分(占挥发油总量的85.53%)。     

固相微萃取-气相色谱-质谱法分析香樟籽挥发性成分

采用固相微萃取-气相色谱-质谱法分离和鉴定香樟籽的挥发性成分,用归一化法测定其相对含量。共分离出76种组分,鉴定出47种化合物,其含量占总挥发性成分的97.4%。主要挥发成分为樟脑(57.89%)、柠檬烯(12.68%)、α-蒎烯(4.42%)、莰烯(2.69%)、香橙烯(2.34%)、伞花烃(2.26%)及β-蒎烯(2.12%)。     

GC-MS法分析康定鼠尾草花挥发油中的化学成分

用水蒸气蒸馏法从康定鼠尾草花中提取挥发油,并用气相色谱/质谱联用技术(GC-MS)对挥发油的化学成分进行分离鉴定,用气相色谱峰面积归一化法确定各组分的相对含量,结果从康定鼠尾草花挥发油中鉴定出89种化合物,占总挥发油量的95%以上,其中主要成分是二苯胺(21.528%)、芳樟醇(9.873%)、2-丙酮基-3-蒈烯(7.533%)、1,3,3-三甲基-2-丁酮-环己二烯(5.088%)。本文通过对康定鼠尾草花挥发油化学成分的研究,为鼠尾草资源的进一步开发利用提供实验依据。     

阿尔泰狗娃花化学成分研究

本文从阿尔泰狗娃花Heteropappus altaicus的乙醇提取物中分离出12个已知化合物,经过红外光谱(IR),质谱(MS),核磁共振谱(NMR)等分析方法及与标准品对照,鉴定了它们的结构。分别为:木栓酮(1),表木栓醇(2),达玛烷-20,24-二烯-3β-醇(3),达玛烷-20,24-二烯-3β-乙酰基(4),α-波甾醇(5),槲皮素(6),3'-甲氧基槲皮素(7),槲皮素-3-O-β-D-葡萄糖苷(8),阿魏酸(9),β-谷甾醇(10),β-胡萝卜苷(11),没食子酸乙酯(12)。其中化合物9和12为首次从该属植物中分离得到,化合物5,6,9和12为首次从该植物中分离得到。     

苍术挥发油成分的分析

用色谱－质谱－计算机联用法分析了南苍术挥发油的化学成分和相对百分含量，分离出６２种组分，鉴定出２２种化合物，占其挥发油总量的８９２％。     

气相色谱-质谱法测定香椿皮中脂溶性成分

香椿皮样品经乙醇提取后用硅胶柱净化,所得洗脱液中脂溶性成分用气相色谱-质谱法分离和鉴定,用归一化法测定其相对含量。共鉴定出41种化学成分,其含量占总脂溶性成分峰面积的91.99%。主要脂溶性成分及其含量为萜烯类(36.58%)、烷烃类(31.70%)和脂肪酸类(21.95%)。     

阿尔泰狗哇花总皂苷的提取与纯化

对阿尔泰狗哇花总皂苷的提取与纯化工艺进行了研究.利用正交设计确定了提取温度、乙醇浓度、溶剂用量、时间及次数等提取工艺参数.比较了五种大孔吸附树脂和聚酰胺树脂对阿尔泰狗哇花总皂苷的吸附与脱附性能.结果表明,在优化的提取条件下提取,经AB-8大孔吸附树脂柱层析分离纯化,制得总皂苷产品,其含量比原药材提高约7倍多,进一步完善后可适用于工业化生产.     

色质联用法分析蜂胶挥发油成分

用色谱／质谱／计算机联用法分析了蜂胶挥发油（吉林产）的化学成分和相对百分含量。分离出５８种化合物，鉴定出２６种化合物，占总量的８６．７９％。     

佩兰挥发性化学成分的固相微萃取研究

采用固相微萃取-气相色谱-质谱法分析佩兰中挥发性化学成分,共分离出84个组分,并鉴定了67个组分,用归一化法测定其质量分数,占总挥发性组分峰面积的98.05%。主要成分是对-伞花烃(5.19%)、芳樟醇(3.72%)、β-石竹烯(12.35%)、α-律草烯(13.39%)、α-姜黄烯(2.11%)、(-)-石竹烯氧化物(8.25%)、. /-.-4-乙酰基-1-甲基环己烯(8.91%)。     

茶叶香味扫描和挥发性化学成分分析

为区分不同茶叶的香味，利用电子扫描仪对铁观音、兰贵人、玉针、碧螺春和云雾茶等5种茶叶进行了香味扫描，确定了电子鼻在茶叶香味辨别中的作用。采用固相微萃取．气相色谱／质谱联用法对这5种茶叶样品中的挥发性化学成分进行了定性和定量分析，分别鉴定出40、40、35、16和13种化合物。在鉴定出的化学成分中，乙酸、大茴香醚、十六烷、咖啡因、十六酸和双酚A是5种茶叶样品中所共有的化学成分，每种茶叶样品中又都含有一些特有的化学成分。最后对香味扫描结果和挥发性化学成分分析结果进行了分析，研究了挥发性化学成分组成和含量上的差别，对茶叶样品数据点在香味分析三维图中位置的影响。     

纤维素酶前处理没药挥发油成分的GC/MS分析

采用水蒸汽蒸馏法分别从未处理和纤维素酶前处理的没药中提取挥发油,利用气相色谱-质谱(GC/MS)联用技术对其挥发油成分进行分析。从中分别鉴定出38种和34种化学成分,用峰面积归一法通过数据处理系统得出各化学成分在挥发油中的质量分数,占挥发油总成分的67.95%和70.05%。     

酸枣果肉中挥发性化学成分的提取及分析

报道了用蒸馏-萃取法和同时蒸馏-萃取法提取酸枣果肉中挥发性物质,测得两种方法提取的酸枣果肉挥发油含量分别为1．80％和2．30％。用GC／MS法从酸枣果肉挥发油中分别分离并确定出43种和28种化学成分,分别占酸枣果肉挥发油总检出量的95．62％和94．88％。用峰面积归一化法通过化学工作站数据处理系统,得出各化学成分在挥发油中的相对百分含量。     

烟用香精的GC-MS指纹图谱

在卷烟生产中,烟用香精对卷烟的风格起着决定作用,所以稳定的烟用香精质量对卷烟内在品质的控制非常重要。目前,烟用香精的质量控制以物理指标方法为主,对质量的变化反映不显著,给质量控制带来困难。作者采用气相色谱一质谱(GC-MS)测定烟用香精的成分,建立其GC-MS指纹图,既有定量信息又有定性信息,为控制烟用香精的质量提供科学依据。     

川芎水蒸气蒸馏和超临界CO2提取物化学成分的GC-MS分析鉴别

用水蒸气蒸馏和超临界CO2提取方法对川芎药材中的化学成分进行提取,用气相色谱-质谱联用技术(GC-MS)对提取物进行分析,分别鉴定出30和34个化合物,测定了其相对含量。 结果表明,水蒸气蒸馏和超临界CO2提取物的主要成分均为(Z)-藁本内酯。 超临界CO2提取方法能提取出较多的川芎药效物质,如丁基酞内酯、丁烯基酞内酯、川芎内酯A、(Z)-藁本内酯、(E)-藁本内酯和川芎内酯I。 而水蒸气蒸馏提取物中除了川芎药效物质外,还含有较多的萜烯类化合物。 结果表明,超临界CO2对川芎药效物质的提取比水蒸气蒸馏法的效率高。 通过对川芎中带不饱和侧链与饱和侧链内酯类化合物质谱裂解规律的解析归纳,鉴别了川芎中不饱和侧链内酯类化合物如(Z)-藁本内酯、(E)-藁本内酯、丁烯基酞内酯和川芎内酯I以及饱和侧链内酯类化合物如丁基酞内酯和川芎内酯A。     

Analysis of the chemical composition of the essential oil of Polygonum minus Huds. using two-dimensional gas chromatography-time-of-flight mass spectrometry (GC-TOF MS)

The essential oil in leaves of Polygonum minus Huds., a local aromatic plant, were identified by a pipeline of gas chromatography (GC) techniques coupled with mass-spectrometry (MS), flame ionization detector (FID) and two dimensional gas chromatography time of flight mass spectrometry (GC x GC-TOF MS). A total of 48 compounds with a good match and high probability values were identified using this technique. Meanwhile, 42 compounds were successfully identified in this study using GC-MS, a significantly larger number than in previous studies. GC-FID was used in determining the retention indices of chemical components in P. minus essential oil. The result also showed the efficiency and reliability were greatly improved when chemometric methods and retention indices were used in identification and quantification of chemical components in plant essential oil.     

Identification and quantitative analysis of the chemical constituents of Gandouling tablets using ultra-high-performance liquid chromatography with quadrupole time-of-flight mass spectrometry

Gandouling tablets are used in a clinical agent for the treatment of hepatocellular degeneration; however, their chemical constituents have not been elucidated. Here, we screened and identified the chemical constituents of Gandouling tablets using ultra-high-performance liquid chromatography (UHPLC)-quadrupole time of flight/mass spectrometry. A method for the quality evaluation of Gandouling tablets was developed by combining the UHPLC fingerprints and the simultaneous quantitative analysis of multiple active ingredients. For fingerprint analysis, 20 shared peaks were identified to assess the similarities among the 10 batches of Gandouling tablets and the similarity was >0.9. The levels of nine representative active ingredients were simultaneously determined to ensure consistency in quality. A total of 99 chemical components were identified, including 18 alkaloids, 20 anthraquinones, 13 flavonoids, 11 phenolic acids, 9 polyphenols, 7 phenanthrenes, 5 sesquiterpenes, 3 curcuminoids, 2 lignans, 2 isoflavones, 2 dianthranones, and 7 other components. The retention times, molecular formulae, and secondary fragmentation information of these compounds were analyzed, and the cleavage pathways and characteristic fragments of some of the representative compounds were elucidated. This systematic analysis used to identify the chemical components of Gandouling tablets lays the foundation for its further quality control and research on their pharmacodynamic substances.     

Systematic characterization of the chemical constituents in vitro and prototypes in vivo of Dingkun Dan using ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry combined with the UNIFI™ software

Dingkun Dan (DKD), a famous traditional Chinese medicine, has been widely used in the treatment of irregular menstruation, leucorrhea abnormality, and postpartum gynecological diseases since Qing dynasty (1739). It comprises 30 flavors of Chinese medicinal materials, which results in its complex chemical composition. In this study, an integrative method was developed to rapidly characterize the chemical components of DKD using ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry combined with the UNIFI™ software. A total of 234 compounds, including 47 triterpenoid saponins, 55 flavonoids, and 38 alkaloids, were identified. Of them, 170 compounds were characterized initially and 61 compounds were identified unambiguously using reference standards. Under the same analysis conditions, 43 prototypical components, which were tentatively assigned as triterpenoid saponins, flavonoids, alkaloids, terpenoids, phenylpropanoids, and others, were absorbed in rat by serum pharmacochemistry analysis. DKD exhibited diverse pharmacological activities through the combined effect of these components. This study was the first systematic study of chemical components in vitro originating from 30 medicinal materials and prototypes in vivo of DKD, which could provide scientific evidence for explaining its therapeutic effect.     

Comprehensive evaluation of chemical stability of Xuebijing injection based on multiwavelength chromatographic fingerprints and multivariate chemometric techniques

A strategy for monitoring and analyzing the chemical stability of Xuebijing injection (XBJ) by multiwavelength chromatographic fingerprints and multivariate classification techniques is presented in this paper. Multiwavelength chromatographic fingerprints were constructed using chromatographic data obtained at four wavelengths (260, 280, 320, and 400?nm). The raw chromatography data were preprocessed by noise reduction, baseline correction, data normalization, and interval correlation optimized shifting (icoshift). Using this method, fingerprints of 166 samples of XBJ subjected to different forced degradation conditions (irradiation, high temperature, and a range of pH values) were properly represented. Forty-one chemical components were identified using the iPeak program. In addition, the identified peak area profiling of chemical components were used for multivariate classification analysis. Principal component analysis (PCA) and Ward’s method were used to classify different XBJ degradation samples. The PCA score plot showed that XBJ degradation samples were clustered into four groups, and the results are confirmed by Ward’s method. Ten key chemical markers under different degradation conditions were found and identified by counterpropagation artificial neural networks (CP-ANN), statistical t-tests, and UPLC-Q-TOF-MS. The results suggest that the proposed strategy could be successfully applied to the comprehensive analysis of complex chemical systems.