基于遗传算法的波长选择方法在绿茶近红外光谱分析模型中的应用

利用遗传算法(GA)提取茶叶的近红外吸收特征波长的方法,研究建立了绿茶水分和氨基酸的近红外分析模型,并对波长选择前后两种成分的模型进行了比较分析。结果表明,经遗传算法波长选择后,简化了分析模型,同时模型的稳健性增强。氨基酸预测集的均方根误差(SEP)减小82.1%,水分预测集的均方根误差减小(SEP)76.6%,它们在波长选择前后对应的分析波长数之比分别为995∶7和1990∶33。     

The polyphenolic profiles and antioxidant effects of Agastache rugosa Kuntze (Banga) flower,leaf, stem and root

Agastache rugosa Kuntze (Korean mint) is used as a spice and in folk medicine in East Asia. The present study identified a total of 18 polyphenols from the flower, leaf, stem and roots of this plant using high‐performance liquid chromatography–tandem mass spectrometry. Fourteen of these compounds had not previously been identified in these plant tissues. Each polyphenol was validated in comparison with external calibration curves constructed using structurally related compounds, with determination coefficients >0.9993. The limits of detection and quantification were 0.092–0.650 and 0.307–2.167 mg/L, respectively. Recoveries of 61.92–116.44% were observed at two spiking levels, with 0.91–11% precision, expressed as relative standard deviation (except anthraquinone spiked at 10 mg/L). Hydroxycinnamic acid was the most abundant compound in the root, while the flowers showed the highest total flavonoid level. Antioxidant activities, determined in terms of reducing power, Fe²⁺ chelating activity and the radical scavenging activities using α,α‐diphenyl‐β‐picrylhydrazyl and 2‐2?‐azino‐bis‐3‐ethylbenzothiazoline‐6‐sulfonic acid, increased in a concentration‐dependent manner; the highest activity was identified in the stems, followed by leaves > flowers > roots. These findings indicate that A. rugosa is a good source of bioactive compounds and can be used as a functional food. Copyright © 2015 John Wiley & Sons, Ltd.     

Development and validation of a high‐throughput assay for the quantification of multiple green tea‐derived catechins in human plasma

A rapid, accurate and robust method for the determination of catechin (C), epicatechin (EC), gallocatechin (GC), epigallocatechin (EGC), catechin gallate (Cg), epicatechin gallate (ECg), gallocatechin gallate (GCg) and epigallocatechin gallate (EGCg) concentrations in human plasma has been developed. The method utilizes protein precipitation following enzyme hydrolysis, with chromatographic separation and detection using reversed‐phase liquid chromatography–tandem mass spectrometry (LC–MS/MS). Traditional issues such as lengthy chromatographic runtimes, sample and extract stability, and lack of suitable internal standards have been addressed. The method has been evaluated using a comprehensive validation procedure, confirming linearity over appropriate concentration ranges, and inter/intra‐batch precision and accuracies within suitable thresholds (precisions within 13.8% and accuracies within 12.4%). Recoveries of analytes were found to be consistent between different matrix samples, compensated for using suitable internal markers and within the performance of the instrumentation used. Similarly, chromatographic interferences have been corrected using the internal markers selected. Stability of all analytes in matrix is demonstrated over 32 days and throughout extraction conditions. This method is suitable for high‐throughput sample analysis studies.     

Combination of FASP and fully automated 2D‐LC‐MS/MS allows in‐depth proteomic characterization of mouse zymogen granules

Zymogen granule (ZG) constituents play important roles in pancreatic injury and disease. In previous studies, proteomic analyses with rat zymogen granules were separated by two‐dimensional gel electrophoresis or one‐dimensional SDS–PAGE, followed by in‐gel tryptic digestion. In order to overcome the disadvantage of in‐gel digestion and to carry out further in‐depth proteomic analysis of the zymogen granules, in this study, by combining a filter‐aided sample preparation method and fully automated 2D‐LC‐MS/MS technique, 800 ZG proteins were identified with at least two unique peptides for each protein, 75% of which have not been previously reported. The identified proteins revealed broad diversity in protein identity and function. This is the largest dataset of ZG proteome, and also the first dataset of the mouse ZG proteome, which may help elucidate on the molecular architecture of ZGs and their functions. Copyright © 2012 John Wiley & Sons, Ltd.     

Applications of Raman spectroscopy in herbal medicine

Raman spectroscopic techniques are a group of chemical fingerprint detection methods based on molecular vibrational spectroscopy. They are compatible with aqueous solutions and are time saving, nondestructive, and highly informative. With complementary and alternative medicine (CAM) becoming increasingly popular, more people are consuming natural herbal medicines. Thus, chemical fingerprints of herbal medicines are investigated to determine the content of these products. In this study, I review the different types of Raman spectroscopic techniques used in fingerprinting herbal medicines, including dispersive Raman spectroscopy, resonance Raman spectroscopy, Fourier transform (FT)–Raman spectroscopy, surface-enhanced Raman scattering (SERS) spectroscopy, and confocal/microscopic Raman spectroscopy. Lab-grade Raman spectroscopy instruments help detect the chemical components of herbal medicines effectively and accurately without the need for complicated separation and extraction procedures. In addition, portable Raman spectroscopy instruments could be used to monitor the health and safety compliance of herbal products in the consumer market.     

Determination of the inhibitory effect of green tea extract on glucose‐6‐phosphate dehydrogenase based on multilayer capillary enzyme microreactor

Natural herbal medicines are an important source of enzyme inhibitors for the discovery of new drugs. A number of natural extracts such as green tea have been used in prevention and treatment of diseases due to their low‐cost, low toxicity and good performance. The present study reports an online assay of the activity and inhibition of the green tea extract of the Glucose 6‐phosphate dehydrogenase (G6PDH) enzyme using multilayer capillary electrophoresis based immobilized enzyme microreactors (CE‐IMERs). The multilayer CE‐IMERs were produced with layer‐by‐layer electrostatic assembly, which can easily enhance the enzyme loading capacity of the microreactor. The activity of the G6PDH enzyme was determined and the enzyme inhibition by the inhibitors from green tea extract was investigated using online assay of the multilayer CE‐IMERs. The Michaelis constant (K_m) of the enzyme, the IC₅₀ and K_i values of the inhibitors were achieved and found to agree with those obtained using offline assays. The results show a competitive inhibition of green tea extract on the G6PDH enzyme. The present study provides an efficient and easy‐to‐operate approach for determining G6PDH enzyme reaction and the inhibition of green tea extract, which may be beneficial in research and the development of natural herbal medicines. Copyright © 2016 John Wiley & Sons, Ltd.     

Simultaneous analysis of tropane alkaloids in teas and herbal teas by liquid chromatography coupled to high‐resolution mass spectrometry (Orbitrap)

A new method has been developed for the simultaneous determination of 13 tropane alkaloids in tea and herbal teas using high‐performance liquid chromatography coupled to an Exactive‐Orbitrap analyzer. A mixture of methanol, water, and formic acid was used for the extraction of the target compounds followed by a solid‐phase extraction step. The validated method provided recoveries from 75 to 128% with intra‐ and interday precision lower than or equal to 24% (except for apoatropine). Limits of quantification ranged from 5 to 20 μg/kg. Eleven tea and herbal tea samples and two contaminated samples with Datura stramonium seeds were analyzed. Tropane alkaloids were detected in six samples with concentrations from 5 (apoatropine) to 4340 μg/kg (sum of physoperuvine, pseudotropine, and tropine), whereas concentrations from 5 (apoatropine) to 1725 μg/kg (sum of physoperuvine, pseudotropine, and tropine) were found in the contaminated samples.     

Greener approach for synthesis of monodispersed palladium nanoparticles using aqueous extract of green tea and their catalytic activity for the Suzuki–Miyaura coupling reaction and the reduction of nitroarenes

A facile and green route for the synthesis of palladium nanoparticles (NPs) was developed utilizing non‐toxic and renewable natural green tea extract as the reducing, stabilizing and capping agent. The as‐prepared Pd‐NPs@G.Tea extract was characterized using UV–visible spectroscopy, X‐ray diffraction, Fourier transform infrared spectroscopy, field‐emission scanning electron microscopy, transmission electron microscopy and energy‐dispersive X‐ray spectroscopy. The Pd‐NPs@G.Tea extract could be used as an efficient and heterogeneous catalyst for Suzuki coupling reactions between phenylboronic acid and a range of aryl halides containing iodo, bromo and chloro moieties, and also for the reduction of nitroarenes using sodium borohydride in an environmentally friendly medium. Excellent yields of products were obtained with a wide range of substrates and the catalyst was recycled multiple times without any significant loss of its catalytic activity.     

茶皂素―金属复合抗菌剂的制备及抗菌性能研究

通过抑菌环法探讨了茶皂素、金属离子、茶皂素―金属复合抗菌剂对大肠杆菌和金黄色葡萄球菌的抗菌活性,考察了茶皂素纯度、浓度、金属离子种类等因素对抗菌剂抗菌活性的影响。结果表明,茶皂素的抗菌活性与单一的金属离子的抗菌活性相当,茶皂素对大肠杆菌的最低抑制浓度为5 mg/mL,对金黄色葡萄球菌的最低抑制浓度是10 mg/mL;茶皂素与金属离子复配抗菌活性具有协同效应,尤其茶皂素―锌复合抗菌剂对大肠杆菌的抑制效果大大加强。