Novel strategy in Dengzhan Shengmai capsule metabolites analysis based on the prediction database / 药学学报

Dengzhan Shengmai capsule, as a compound Chinese patent medicine, consists of four herbs: Herba Erigerontis, Ginseng, Ophiopogon, and Schisandrae Chinensis Fructus, and contains significant components of flavonoids, lignans, saponins, and organic acids. It is widely used clinically to treat cerebrovascular diseases such as chronic cerebral hypoperfusion and dementia with remarkable efficacy. This study proposes a research strategy for multi-component traditional Chinese medicine metabolites based on prediction databases and unfolds the analysis using Dengzhan Shengmai capsule as an example. Using the UPLC-Q-TOF/MS method, the analytical method was established and detected biological samples such as urine, feces, and bile of rats before and after administration based on the prediction of theoretical metabolites of Dengzhan Shengmai capsule. The possible secondary fragment ion information of metabolites was identified by comparing the detected results with prediction databases. The metabolites were identified based on the archetypal component mass spectrometric cleavage law and multistage mass spectrometric data. 51 metabolites, mainly flavonoid, organic acid, and lignan constituents, were finally identified from rat biosamples based on 306 theoretical metabolites of Dengzhan Shengmai capsule. This study provides a new strategy for the identification of metabolites in vivo and the analysis of metabolic pathways of TCM. The study complied with the procedures established by the Animal Experiment Ethics Committee of the Institute of Materia Medica, Chinese Academy of Medical Sciences and passed the animal experiment ethics examine (No. 00003645).

The mechanism of Er-xian Decoction in regulating lipid metabolism disorders on bilateral ovariectomized rats based on metabolomics study / 药学学报

Studies have shown that women's menopause caused by permanent cessation of ovarian function is closely related to lipid metabolism disorders. Er-xian Decoction has been used in the clinical treatment for gynecological diseases and has a good effect on diseases related to reduced sex hormone function. In this study, metabolomics was performed on bilateral ovariectomized model rats within 12 weeks after modeling to mimic the physiological state of menopausal women in different menopausal stages and Er-xian Decoction dosed model rats. The results of liver oil red O staining sections showed lipid metabolic disorder of bilateral ovariectomized model rats and the regulating effects of Er-xian Decoction. 46 potential biomarkers (6 steroid hormones, 3 sphingolipids, 11 phospholipids and 26 glycerides) in plasma and 32 potential biomarkers (1 steroid hormones, 20 phospholipids and 11 glycerides) in liver were obtained based on lipidomics analysis. Then, we analyzed the differential metabolic pathways and construct the lipid metabolism network significantly regulated by Er-xian Decoction. The results provided valuable information for in-depth understanding of the gradual changes on lipid metabolism disorders under menopausal conditions and the characteristics and mechanisms of compound Er-xian Decoction's regulatory effects. The study complied with the procedures established by the Animal Experiment Ethics Committee of the Institute of Materia Medica, Chinese Academy of Medical Sciences and passed the animal experiment ethics examine (No. 00000918).

Novel identification strategy for ground coffee adulteration based on UPLC-HRMS oligosaccharide profiling.

Coffee is one of the most common and most valuable beverages. According to International Coffee Organization (ICO) reports, the adulteration of coffee for financial reasons is regarded as the most serious threat to the sustainable development of the coffee market. In this work, a novel strategy for adulteration identification in ground coffee was developed based on UPLC-HRMS oligosaccharide profiling. Along with integrated statistical analysis, 17 oligosaccharide composition were identified as markers for the identification of soybeans and rice in ground coffee. This strategy, validated by manual mixtures, optimized both the reliability and authority of adulteration identification. Rice and soybean adulterants present in ground coffee in amounts as low as 5% were identified and evaluated. Some commercial ground coffees were also successfully tested using this strategy.

Evaluation of the quality of Gastrodia elata Bl. by HPLC-DAD/MS / 药学学报

The chromatographic fingerprint of Gastrodia elata Bl. (Tianma) was developed to compare the quality of Tianma samples from different habitats and processing methods. The above analysis method was established by HPLC-DAD technique. And an HPLC method was used to analysis the contents of gastrodin (GAS) and p-hydroxybenzyl alcohol (HBA) in Tianma from different habitats and processed methods. Experiments of chromatographic fingerprint analysis were carried out with a Zorbax XDB C18 column (250 mm x 4.6 mm, 5 microm). The mobile phase consisted of acetonitrile and 0.1% aqueous acetic acid in gradient elution mode. The column was maintained at 25 degrees C. Detection was set at 270 nm. The mass spectra were recorded using as ESI source in the negative mode with ion spray voltage at 3500 V, source temperature at 335 degrees C, gas spray at 8.3 kPa and gas flow rate at 9 L x min(-1). The HPLC methods of quantitative analysis were the same as those of chromatographic fingerprint analysis except the mobile phase, which consisted of acetonitrile and 0.1% aqueous acetic acid in isocratic elution mode with the ratio of 4.5 to 95.5 (v/v). Data of chromatographic fingerprint were analyzed by the "similarity evaluation system for chromatographic fingerprint of TCM (Version 2004 A)" software to compare the quality of Tianma. Samples from different habitats with the same processing method were of high similarity, though a few samples showed evident difference in fingerprint graphics. For Tianma samples with different processing methods, the contents of common peaks were different and the processing method of freezing to dry was better than others. With HPLC-MS technique, 8 major common peaks in the fingerprint of Tianma were identified by their MS spectra and comparison with the reference standards. The results of similarity analysis for chromatographic fingerprint were basically consistent with those of quantitative analysis. The established HPLC-DAD/MS methods can be used to evaluate the quality of Tianma.

Quality analysis and evaluation of Rhizoma Coptidis under different cultivation conditions / 药学学报

<p><b>AIM</b>To develop methods for the fingerprint analysis of Rhizoma Coptidis and the determination of berberine, palmatine and jatrorrhizine in Rhizoma Coptidis, and analyze the contents of these three alkaloids in Rhizoma Coptidis under different cultivation conditions, from different areas and processed with different methods.</p><p><b>METHODS</b>Two methods (HPLC-UV and HPLC-MS) have been developed and used in fingerprint analysis of Rhizoma Coptidis. An HPLC method was used to determine the contents of three alkaloids.</p><p><b>RESULTS</b>With HPLC-MS techniques, seven major chromatographic peaks in the fingerprint analysis of Rhizoma Coptidis were identified by their MS spectra and compared with the reference standards. In different cultivation conditions, shading conditions and growing ages have obvious influence on the contents of three alkaloids in Rhizoma Coptidis, while planting density was not the major factor that influenced the contents of three alkaloids. The contents of three alkaloids of Coptidis samples were almost higher than those of Coptidis reference material. For Coptidis samples from different cultivation area, the contents of these three alkaloids were different greatly. For Coptidis samples processed with different methods, the contents of three alkaloids were not influenced obviously by processing methods.</p><p><b>CONCLUSION</b>The results showed that the ecology cultivation method to replace the traditional shading method was feasible and provided the theoretical foundation for scientifically processing Rhizoma Coptidis.</p>

Study on the chiral separation of securinine by high-performance capillary electrophoresis and its stereoselective metabolism in rat / 药学学报

<p><b>AIM</b>To establish a high-performance capillary electrophoresis (HPCE) chiral separation method for d-securinine and l-securinine, and use this method to investigate the stereoselective metabolism process of d- and l-securinine in Wistar rats.</p><p><b>METHODS</b>The electrophoretic condition and parameters were investigated and the optimized conditions were as following: the electrophoretic medium was 40 mmol.L-1 Tris-H3PO4 buffer (pH adjusted to 6.0 with H3PO4) containing 32 mmol.L-1 HP-beta-CD as chiral selector. Determination was carried out with a UV detector at 254 nm. The separations were performed at 16 degrees C with a positive voltage of 15 kV. Samples were injected into the capillary by pressure for 6 s. The biological samples (urine, bile, plasma and feces) of rats were alkalized and extracted with ethyl acetate.</p><p><b>RESULTS</b>The experimental results showed that the concentration of HP-beta-CD, the concentration of the running buffer and the pH value of the buffer were the main important factors which effected the resolution. d-Securinine and l-securinine were separated at baseline level under the determination conditions. The determination was not interfered by endogenous components and metabolites. After i.p. administration, the rats excreted more d-securinine than l-securinine through bile, urine and feces. The metabolism process in rats was stereoselective.</p><p><b>CONCLUSION</b>This method is simple, reliable and suitable for studying the stereoselective metabolism of securinine in rats.</p>