Substituent and solvent effects on the structural bioactivity and anticancer characteristic of catechin as a bioactive constituent of green tea

In this study, quantum chemical calculations using density functional theory and 6‐311G (d) basis set have been applied to analyze the substituent effect on the electronic structural properties including thermochemical parameters as well as anticancer characteristics of catechin as a bioactive constituent of green tea. It has been found out that different substituents with two kinds of electron donating and electron withdrawing groups including ? NO₂, ? NH₂, ? Cl, ? OCH₃, and ? CH₃ leaded to different structural stabilities. The catechin with chloro substituents has been referred to the most stable catechin derivatives based on the minimum energy of investigated compounds. In this study, the calculated values have been compared in gas phase and different solvent media with a wide range of solvent dielectrics using the self‐consistent reaction field method with polarizable continuum model. Relative interaction energies between solute and solvent as well as dipole moment values have been analyzed. The results of solvent effect study revealed that the formation of hydrogen bonds accounts for the stabilization of catechin. These calculated data were found to be a logical way in predicting the relative stability of catechin derivatives and can be useful for drug design of anticancer drugs and would open a new door for the researchers who are interested in natural products. The results presented in this article will be helpful to improve existing model and will open up a whole new arena of study to understand the anticancer characteristic of these antioxidant drugs derived from natural products against the photosensitizing DNA damage induce by catechin extracts and enable a much clearer understanding of how anticancer drugs mediate their effects on the specific spot. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

茶叶中锰、铁、锌、铬等10种微量元素的快速测定

茶叶样品经粉碎干燥后,以硝酸-高氯酸混合液进行消解处理,火焰原子吸收分光光度法测定了K、Ca、Na、Mg、Fe、Mn、Cu、Zn、Ni、Cr的含量。结果表明,回收率在89.30%～103.20%之间,相对标准偏差小于10%。方法简单、快速、经济,结果可靠。     

湖北绿茶中两种新的没食子酸类衍生物的结构鉴定

用2D NMR技术研究了从绿茶中分离得到的2种新的没食子酸类衍生物,对其¹H和¹³C NMR谱线作了全归属.     

Simultaneous chemical fingerprint and quantitative analysis of Rhizoma Smilacis Glabrae by accelerated solvent extraction and high‐performance liquid chromatography with tandem mass spectrometry

Rhizoma Smilacis Glabrae (RSG) is a well‐known herbal medicine with the homology of medicine and food. In this study, simultaneous chemical fingerprint and quantitative analysis of the bioactive flavonoid components of RSG were developed using accelerated solvent extraction and high‐performance liquid chromatography coupled with ion trap tandem mass spectrometry. The operational parameters of accelerated solvent extraction including extraction solvent, extraction temperature, static extraction time, solid‐to‐liquid ratio, and extraction cycles were optimized. Hierarchical cluster analysis, similarity analysis, and principal component analysis were performed to evaluate the similarity and variation of the samples collected from several provinces in China. Subsequently, high‐performance liquid chromatography fingerprints were established for the discrimination of 16 batches of RSG samples, and the major six flavonoids, namely, toxifolin, neoastilbin, astilbin, neoisoastilbin, isoastilbin, and engeletin were then quantitatively determined. The calibration curves for all the six analytes showed good linearity (r² > 0.999), and the limits of detection and quantification were less than 0.10 and 0.27 μg·mL^?1, respectively. Therefore, the proposed extraction and determination methods were proved to be robust and reliable for the quality control of RSG.     

Sensitive and selective determination of gallic acid in green tea samples based on an electrochemical platform of poly(melamine) film

In this work, an electrochemical sensor coupled with an effective flow-injection amperometry (FIA) system is developed, targeting the determination of gallic acid (GA) in a mild neutral condition, in contrast to the existing electrochemical methods. The sensor is based on a thin electroactive poly(melamine) film immobilized on a pre-anodized screen-printed carbon electrode (SPCE*/PME). The characteristics of the sensing surface are well-characterized by field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS) and surface water contact angle experiments. The proposed assay exhibits a wide linear response to GA in both pH 3 and pH 7.0 phosphate buffer solutions (PBS) under the optimized flow-injection amperometry. The detection limit (S/N = 3) is 0.076 μM and 0.21 μM in the pH 3 and pH 7 solutions, respectively. A relative standard deviation (RSD) of 3.9% is obtained for 57 successive measurements of 50 μM GA in pH 7 solutions. Interference studies indicate that some inorganic salts, catechol, caffeine and ascorbic acid do not interfere with the GA assay. The interference effects from some orthodiphenolic compounds are also investigated. The proposed method and a conventional Folin–Ciocalteu method are applied to detect GA in green tea samples using the standard addition method, and satisfactory spiked recoveries are obtained.     

高效液相色谱-串联质谱法同时测定茶汤中7种苯甲酰脲类农药残留

建立了高效液相色谱-串联质谱(HPLC-MS/MS)法,结合溶剂提取和固相富集技术同时测定茶汤中氟啶脲、除虫脲、啶蜱脲、氟虫脲、氟铃脲、伏虫隆和杀铃脲7种苯甲酰农药残留的方法。研究了提取溶剂的种类、用量和提取时间,以及固相富集小柱的固定相和流动相对7种苯甲酰脲类农药的提取率、分离度、灵敏度和重现性等的影响。结果表明,在最佳条件下,7种苯甲酰脲类农药在6.5min内被完全分离。7种苯甲酰脲类农药残留的检测限(DL)和定量限(QL)分别为0.08~1.00ng/mL和0.09~3.02ng/mL,加标回收率为90%~105%,相对标准偏差(RSD)小于7%(n=6)。利用所建立的方法成功测定了不同茶汤中上述7种苯甲酰脲类农药残留。该方法具有耗时短、灵敏度高、稳定性好等优点,有助于茶叶安全饮用的准确评价。     

龙井茶特征香气成分分析及种类判别

采用顶空固相微萃取(HS-SPME)和气相色谱-质谱(GC-MS)联用技术分析了39份龙井茶叶中的挥发性成分,结合质谱数据库与保留指数,从24份西湖核心区龙井茶中获得了200余种挥发性化合物,这些挥发性成分中主要含有醇类、酯类、酮类、杂环类等化合物,经筛选得到26种共有组分.并采用主成分分析法(PCA)对24份西湖核心区龙井茶和15份疑似龙井茶进行了有效区分.该方法适用于茶叶的品质鉴定、真假识别、产地溯源等方面的研究,也为其他产品的挥发性成分分析提供参考.     

高选择性高效液相色谱-电化学检测法测定丹参中5种酚类物质

发展了一种高灵敏度的高效液相色谱-电化学检测（HPLC-ECD）方法,用于丹参中5种酚类物质的定量分析。为了获得较高的检测灵敏度,对流动相的pH、缓冲溶液类型和浓度、有机相种类和梯度以及流速做了系统研究。在较低的pH（2.8）、较低的缓冲盐浓度（20 mmol/L NaH₂PO₄）和较缓的乙腈梯度下,以0.2 mL/min流速可为5种酚类的分离检测提供较好的分离度和较高的检测灵敏度。在获得优化的分离参数后,将其用于14批丹参药材中5种酚类物质的定量分析。结果表明,该方法可获得较好的回收率（>95%）、较宽的线性范围（高达4个数量级）、较好的重复性（RSD<4.01%）和较高的灵敏度（咖啡酸的LOQ低至1.5μg/L）。与紫外检测方法相比,ECD检测方法具有更高的选择性,可减少非抗氧化活性的物质的干扰。     

Simultaneous determination of eight alkaloids and oleandrin in herbal cosmetics by dispersive solid‐phase extraction coupled with ultra high performance liquid chromatography and tandem mass spectrometry

We utilized ultra‐high performance liquid chromatography with tandem mass spectrometry and dispersive solid‐phase extraction to develop a new method for the detection of nine analytes (scopolamine, cephaeline, strychnine, hyoscyamine, brucine, hydrastine, ajmalicine, colchicine, and oleandrin) in herbal cosmetics. Acetonitrile/water and 2‐propylaminoethylamine were used to disperse and purify during the dispersive solid‐phase extraction step. The analytes were separated by a Waters UPLC HSS T3 column and detected through electrospray ionization source in the positive mode with multi‐reaction monitoring conditions. Under the optimal conditions, the calibration curves were linear in the range of 0.2–100.0 μg/L with the correlation coefficients higher than 0.995. The method limit of quantitation (S/N = 10) were 5.0 μg/kg for oleandrin and 1.0 μg/kg for the other eight alkaloids. The mean recoveries at three spiked concentration levels of 1.0–10.0 μg/kg were in the range of 86.9–116.5% with the intra‐day relative standard deviations (n  = 6) ranging from 2.4 to 8.8%, and inter‐day relative standard deviations ranging from 2.7 to 5.7%. This method is accurate, simple and rapid, and has been applied to the quality supervision of herbal cosmetics in Guangzhou.     

Electrochemical Studies of Anticancer Herbal Drug Sophoridine and Its Interaction with DNA

Sophoridine is a new anticancer herbal drug with remarkable antitumor effect and lower toxicity. In this paper, the electrochemical investigation of sophoridine and its interaction with DNA is reported. In 0.1 mol L^?1 phosphate buffer solution (pH 7.0), sophoridine exhibited excellent electrochemical activity. In the presence of DNA, the peak current of sophoridine decreased in a quantitative fashion and the peak potential shifted to a more positive potential value. It suggests the dominance of intercalative interaction. Importantly, as to the interaction between sophoridine and DNA in solution, characteristic parameters such as the binding stoichiometry and association equilibrium constant according to the Hill model for cooperative binding have been determined.