[Application of near infrared spectroscopy to predict contents of various lactones in chromatographic process of Ginkgo Folium].

This study established a method for rapid quantification of terpene lactone, bilobalide, ginkgolide C, ginkgolide A and ginkgolide B in the chromatographic process of Ginkgo Folium based on near infrared spectroscopy(NIRS). The effects of competitive adaptive reweighting sampling(CARS), random frog(RF), and synergy interval partial least squares(siPLS) on the performance of partial least squares regression(PLSR) model were compared to the reference values measured by HPLC. Among them, the correlation coefficients of prediction(Rp) of validation sets of terpene lactone, bilobalide, and ginkgolide C were all higher than 0.98, and the relative standard errors of prediction(RSEPs) were 5.87%, 6.90% and 6.63%, respectively. Aiming at ginkgolide A and ginkgolide B with relatively low content, the genetic algorithm joint extreme learning machine(GA-ELM) was used to establish the optimized quantitative analysis model. Compared with CARS-PLSR model, the CARS-GA-ELM models of ginkgolide A and ginkgolide B exhibited a reduction in RSEP from 15.65% to 8.52% and from 21.28% to 10.84%, respectively, which met the needs of quantitative ana-lysis. It has been proved that NIRS can be used for the rapid detection of various lactone components in the chromatographic process of Ginkgo Folium.

[Rapid determination of active components in Ginkgo biloba leaves by near infrared spectroscopy combined with genetic algorithm joint extreme learning machine].

Near-infrared spectroscopy(NIRS) combined with band screening method and modeling algorithm can be used to achieve the rapid and non-destructive detection of the traditional Chinese medicine(TCM) production process. This paper focused on the ginkgo leaf macroporous resin purification process, which is the key technology of Yinshen Tongluo Capsules, in order to achieve the rapid determination of quercetin, kaempferol and isorhamnetin in effluent. The abnormal spectrum was eliminated by Mahalanobis distance algorithm, and the data set was divided by the sample set partitioning method based on joint X-Y distances(SPXY). The key information bands were selected by synergy interval partial least squares(siPLS); based on that, competitive adaptive reweighted sampling(CARS), successive projections algorithm(SPA) and Monte Carlo uninformative variable(MC-UVE) were used to select wavelengths to obtain less but more critical variable data. With selected key variables as input, the quantitative analysis model was established by genetic algorithm joint extreme learning machine(GA-ELM) algorithm. The performance of the model was compared with that of partial least squares regression(PLSR). The results showed that the combination with siPLS-CARS-GA-ELM could achieve the optimal model performance with the minimum number of variables. The calibration set correlation coefficient R_c and the validation set correlation coefficient R_p of quercetin, kaempferol and isorhamnetin were all above 0.98. The root mean square error of calibration(RMSEC), the root mean square error of prediction(RMSEP) and the relative standard errors of prediction(RSEP) were 0.030 0, 0.029 2 and 8.88%, 0.041 4, 0.034 8 and 8.46%, 0.029 3, 0.027 1 and 10.10%, respectively. Compared with the PLSR me-thod, the performance of the GA-ELM model was greatly improved, which proved that NIRS combined with GA-ELM method has a great potential for rapid determination of effective components of TCM.

Triterpenoids from Cyclocarya paliurus that Enhance Glucose Uptake in 3T3-L1 Adipocytes.

Four previously undescribed compounds, including three rarely occurring seco-dammarane triterpenoid glycosides and a pentacyclic triterpenic acid, were isolated from a 70% ethanol extract of the leaves of Cyclocarya paliurus (Juglandaceae), along with eleven known triterpenoids. Their structures were determined by spectroscopic techniques, including 2D NMR and HRESIMS, as well as chemical methods. Among them, several triterpenoids enhanced insulin stimulated glucose uptake in both 3T3-L1 adipocytes and C2C12 myotubes. Furthermore, compound 1 dose-dependently increased glucose uptake through activating AMP-activated protein kinase (AMPK)-p38 pathway. Collectively, triterpenoids from C. paliurus could be developed as insulin sensitizers, which might have therapeutic potential for insulin resistance and hyperglycemia.

[On-line detection of concentration process of Ganmaoling granules by near infrared spectroscopy combined with automatic control system].

Our research was designed for on-line detection of multi-index in the concentration process of Ganmaoling granules by integration of near infrared spectroscopy and automatic control system. First, on-line detection system was set up in the concentration tank for Ganmaoling granules production. Spectra were scanned and values of chlorogenic acid, linarin, solid content and relative density were measured. Models of partial least squares regression were built and imported into near infrared workstation. By connecting the control system, real-time multi-index values were determined automatically in the concentration process. Results showed that correlation coefficients of chlorogenic acid, linarin, solid content and relative density models were 0.963, 0.989, 0.993 and 0.918, respectively. Relative standard errors of prediction were 3.71%, 4.28%, 4.17% and 0.24%, respectively, indicating a good performance and high accuracy of the models. Real-time data collection during the whole process was measured by the near infrared detecting system in the control system. In conclusion, the near infrared detection system is able to perform real-time automatic determination of multiindex in the concentration process of Ganmaoling granules with significant advantages.

[Application of near infrared spectroscopy combined with particle swarm optimization based least square support vactor machine to rapid quantitative analysis of Corni Fructus].

A novel method was developed for the rapid determination of multi-indicators in corni fructus by means of near infrared (NIR) spectroscopy. Particle swarm optimization (PSO) based least squares support vector machine was investigated to increase the levels of quality control. The calibration models of moisture, extractum, morroniside and loganin were established using the PSO-LS-SVM algorithm. The performance of PSO-LS-SVM models was compared with partial least squares regression (PLSR) and back propagation artificial neural network (BP-ANN). The calibration and validation results of PSO-LS-SVM were superior to both PLS and BP-ANN. For PSO-LS-SVM models, the correlation coefficients (r) of calibrations were all above 0.942. The optimal prediction results were also achieved by PSO-LS-SVM models with the RMSEP (root mean square error of prediction) and RSEP (relative standard errors of prediction) less than 1.176 and 15.5% respectively. The results suggest that PSO-LS-SVM algorithm has a good model performance and high prediction accuracy. NIR has a potential value for rapid determination of multi-indicators in Corni Fructus.

Three-in-one agonists for PPAR-α, PPAR-γ, and PPAR-δ from traditional Chinese medicine.

Nowadays, the occurrence of metabolic syndrome, which is characterized by obesity and clinical disorders, has been increasing rapidly over the world. It induces several serious chronic diseases such as cardiovascular disease, dyslipidemia, gall bladder disease, hypertension, osteoarthritis, sleep apnea, stroke, and type 2 diabetes mellitus. Peroxisome proliferator-activated receptors (PPARs), which have three isoforms: PPAR-α, PPAR-γ, and PPAR-δ, are key regulators of adipogenesis, lipid and carbohydrate metabolism, and are potential drug targets for treating metabolic syndrome. The traditional Chinese medicine (TCM) compounds from TCM Database@Taiwan ( http://tcm.cmu.edu.tw/ ) were employed to virtually screen for potential PPAR agonists, and structure-based pharmacophore models were generated to identify the key interactions for each PPAR protein. In addition, molecular dynamics (MD) simulation was performed to evaluate the stability of the PPAR-ligand complexes in a dynamic state. (S)-Tryptophan-betaxanthin and berberrubine, which have higher Dock Score than controls, form stable interactions during MD, and are further supported by the structure-based pharmacophore models in each PPAR protein. Key features include stable H-bonds with Thr279 and Ala333 of PPAR-α, with Thr252, Thr253 and Lys331 of PPAR-δ, and with Arg316 and Glu371 of PPAR-γ. Hence, we propose the top two TCM candidates as potential lead compounds in developing agonists targeting PPARs protein for treating metabolic syndrome.

Development of the fingerprint for the quality of Radix Linderae through ultra-pressure liquid chromatography-photodiode array detection/electrospray ionization mass spectrometry.

An ultra-pressure LC (UPLC) method has been developed and validated for the quality evaluation of a traditional Chinese medicine (Radix Linderae) by chemical fingerprint analysis with chromatograms collected at two wavelengths (260 and 320 nm). Eleven characteristic peaks in the fingerprints were identified by comparing their retention times, UV spectra and ESI-MS/MS data with those of the reference substances or the data in the literatures. Both correlation coefficient of similarities in chromatograms and relative peak areas of common peaks were calculated for quality expression of the Radix Linderae samples collected from different areas in China. The results showed high variation of relative peak area and correlation coefficients among the samples collected from various habitats, which indicated that the quality consistency of Radix Linderae is still a problem worthy of serious concern.

[Effect of griffithin on anticancer activity and apoptosis of cancer cells in vitro].

To study the anticancer activity of griffithin from Streptocaulon griffithii Hook. f. and its effect on apoptosis of cancer cells in vitro, the inhibitory effect of griffithin on cell proliferation was studied by MTT assay, the cell apoptosis was observed by AO/EB double decoration assay and flow cytometry. Griffithin exhibited high anticancer activity on four human cancer cell lines, with IC50 ranged from 0.17 - 0.43 microg x mL(-1). Griffithin also induced apoptosis of PC-3 cells. Griffithin had anticancer activity and induced apoptosis of cancer cells.

[Influence of H2O2 on degradation of residual pesticides and constituents in Radix Sophorae Flavescentis].

OBJECTIVE: To investigate the characteristic and influential factors of the degradation of residual pesticides and alkaloids in Radix Sophorae Flavescentis by H2O2. METHOD: The spiked samples were treated in H2O2 in different reaction time, concentration and pH value. The pesticide residuals were determined by GC-MS, and the contents of alkaloids were determined by HPLC. RESULT: H2O2 had highly activity in degrading organophosphorus and pyrethroid, but had less activity to organochlorines. The degradation processes of organophosphorus and pyrethroid followed first-order kinetics equations, and were influenced by the pH value, the concentration of H2O2 and reaction time. The contents of alkaloids in Radix Sophorae Flavescentis changed not obviously after treatment with 3 mL x L(-1) H2O2 less than 6 hours under neutral condition. CONCLUSION: H2O2 is a useful reagent for the degradation of organophosphorus and pyrethroid in crude drug.

[The effect of preparation method on the quality of shen-mai injection].

OBJECTIVE: To investigate the effect of different preparation method on the quality of Shen-mai injection. METHOD: The Shen-mai injection samples were prepared using three different methods. Fingerprints of Shen-mai extracts red ginseng, and its intermediates were obtained using an HPLC analytical procedure. The contents of ginsenoside Rg1, Rc and Rb1, and the gross saponins of Shen-mai extract were quantitatively mensured with HPLC procedures. RESULT: There was significant difference in fingerprints and chemical contents of the injections prepared by the three different methods. CONCLUSION: The quality of Shen-mai injection was greatly influenced by the preparation method. HPLC fingerprinting method can be applied for the determination of the Shen-mai preparations.

A sensitive and specific HPLC-MS method for the determination of sophoridine, sophocarpine and matrine in rabbit plasma.

A sensitive and specific method was developed for the determination of sophoridine (SRI), sophocarpine (SC) and matrine (MT) in rabbit plasma by HPLC-MS. After an administration of Kuhuang by injection, blood samples were collected and extracted with methanol. The extract solutions were analysed by HPLC-MS method. The separation was performed on a ZORBAX Extend-C18 column using methanol/water/diethylamine (50:50:0.07, v/v/v) as mobile phase. The quinolizidine alkaloids were detected by using mass spectrometry in the SIM mode. There was a good linear relationship between peak area and concentration of analytes over the concentration range of 13.2-995.0 ng mL(-1) for SRI, 7.0-530.0 ng mL(-1) for SC and 8.8-655.0 ng mL(-1) for MT, respectively. The absolute recovery of this method was more than 57% for SRI, 87% for SC and 91% for MT. The accuracy of assay was more than 90%. The limits of detection (LODs) were 6.8 ng mL(-1) for SRI, 3.5 ng mL(-1) for SC and 4.2 ng mL(-1) for MT, respectively. The limits of quantitation (LOQs) were 13.2 ng mL(-1) for SRI, 7.0 ng mL(-1) for SC and 8.8 ng mL(-1) for MT, respectively. The intra-day and inter-day coefficients of variation (RSDs) were less than 10.1, 6.3 and 5.8% for SRI, SC and MT, respectively. The developed method was applied to determine the concentration-time profiles of SRI, SC and MT in rabbit plasma after injection of Kuhuang.

[Simultaneous determination of 4 anthraquinones in Kuhuang injection by RP-HPLC].

OBJECTIVE: To develop a new high-performance liquid chromatographic method for simultaneous quantitative determination of 4 anthraquinones in Kuhuang injection. METHOD: The chromatographic separation was performed on a Lichrospher C18 column (4.6 mm x 250 mm, 5 microm,), A linear gradient elution of A (CH3COOH: H2O = 1:100) and B (CH3COOH: H2O: CH3CN = 1:20:80) was used. The flow rate was 0.8 mL x min(-1) and column temperature was set at 35 degrees C. The UV detection wavelength was set at 254 nm. RESULT: The recoveries of rhein, emodin, chrysophanol and physcion were 98.9%, 100.5%, 102.5% and 99.0%, respectively. Their linear ranges were 0.0875-1.75 microg for rhein, 0.0825-1.65 microg for emodin, 0.159-3.17 microg for chrysophanol and 0.0525-1.05 microg for physcion, respectively. CONCLUSION: The method was accurate, repeatable and suitable to determine the contents of 4 anthraquinones in Kuhuang injection.

[Spectral analysis of maorenshen (Actinidia valvata) and its confusable materials].

This article reports the spectral analysis of Maorenshen (Actinidia valvata) and its confusable materials Actinidia chinennsis and Actinidia polygama by fluorescence test, ultraviolet spectrophotometry and fluorescence spectrophotometry. Strong green or blue fluorescence was observed at UV 254 nm in aqueous solutions of Actinidia chinesis and Actinidia polygama, and was barely seen in that of Maorenshen. There were also obvious differences among the ultraviolet spectra and fluorescence spectra of the extracted solutions of the three materials. No obvious absorption band was observed in the UV spectra of ethanol-extracted solution of Maorenshen, an absorption band at 280 nm was observed in the UV spectra of Actinidia chinensis and Actinidia polygama in ethanol extract-solutions. There were also different wavelength and strength in fluorescence spectra among extracted solutions of Maorenshen, Actinidia chinensis and Actinidia polygama. Therefore, it is feasible to identify Maorenshen (Actinidia valvata) and its confusable materials by ultraviolet spectrophotometry and fluorescence spectrophotometry.

[Identification of the habitat of Ligusticum chuangxiong with chromatographic fingerprinting].

OBJECTIVE: To establish the chromatographic fingerprinting for identifying the habitat of Ligusticum chuangxiong. METHOD: HPLC system was applied to obtain the chromatograms of L. chuangxiong samples from different areas, and 15 peaks were measured from the chromatograms. Then some computer-based methods including principle component analysis, clustering analysis, similarity calculation and fisher factor analysis were applied for data analysis. RESULT: There was obvious difference among chromatographic fingerprints of L. chuangxiong samples from different areas. The 15 measured peaks could be used as the fingerprint features. CONCLUSION: Chromatographic fingerprinting can be used for identifying the habitat of L. chuangxiong.

[Study on the solubility changes of Rhizoma Coptidis' main chemical constituents influenced by the proportion of Rhizoma Coptidis and Fructus Evodiae].

OBJECTIVE: To investigate the relationship between the solubility of Rhizoma Coptidis' main chemical constituents and the proportion of Rhizoma Coptidis and Fructus Evodiae. METHOD: 9 samples were selected in which the proportion of Rhizoma Coptidis and Fructus Evodiae were 1:0, 6:1, 3:1, 2:1, 1:1, 1:2, 1:3, 1:6 and 0:1, respectively. The samples' water-extracts were analyzed by RP-HPLC. Then solubility changes of eight chemical constituents were calculated, and the regression equations were established. RESULT: Among the eight chemical constituents, one was independent on the change of proportion of Rhizoma Coptidis and Fructus Evodiae, six having linear relationship. A new constituent was detected, and there was nonlinear relationship between its quantity and the proportion of the couple. CONCLUSION: The solubility of Rhizoma Coptidis' main chemical constituents declines almost in the same scale when Rhizoma Coptidis and Fructus Evodiae are used as a couple, and a new constituent has been detected which can't be found in the mono-extraction.

[A novel fingerprint method for quality evaluation of Chinese medicinal plants based on analytical data visualization].

OBJECTIVE: To investigate new method for evaluating the quality of Chinese Medicinal Plants (CMP). METHOD: A visualization technique for representing instrumental analytical data was developed by applying the fundamental of Data Visualization, with Principal Component Analysis (PCA) and spatial projection transformation, original IR spectral data were projected into a low-dimensional subspace so that the dimensionality of original data space was decreased and tiny fingerprint features were extracted. The data set in the subspace was visualized by means of two-dimensional grayscale images. Consequently, the characteristic fingerprint for appraising the quality of CMP was obtained. RESULT: 42 mulberry root-bark samples from three different quality classes were identified with the proposed method, which showed that the fingerprint images had satisfactory resolution and classification accuracy as high as 90.5%. CONCLUSION: The proposed method is a useful technique for appraising the quality of CMP.