Composition changes reveal relationship between color and enzymatic reaction of Magnoliae Officinalis Cortex during "sweating" process / 中国中药杂志

In this study, we employed Q Exactive to determine the main differential metabolites of Magnoliae Officinalis Cortex du-ring the "sweating" process. Further, we quantified the color parameters and determined the activities of polyphenol oxidase(PPO), peroxidase(POD), and tyrosinase of Magnoliae Officinalis Cortex during the "sweating" process. Gray correlation analysis was performed for the color, chemical composition, and enzyme activity to reveal the effect of enzymatic reaction on the color of Magnoliae Officinalis Cortex during the "sweating" process. Magnoliae Officinalis Cortex sweating in different manners showed similar metabolite changes. The primary metabolites that changed significantly included amino acids, nucleotides, and sugars, and the secondary metabolites with significant changes were phenols and phenylpropanoids. Despite the different sweating methods, eleven compounds were commonly up-regulated, including L-glutamic acid, acetylarginine, hypoxanthine, and xanthine; six compounds were commonly down-re-gulated, including L-arginine, L-aspartic acid, and phenylalanine. The brightness value(L~*), red-green value(a~*), and yellow-blue value(b~*) of Magnoliae Officinalis Cortex kept decreasing during the "sweating" process. The changes in the activities of PPO and POD during sweating were consistent with those in the color parameter values. The gray correlation analysis demonstrated that the main differential metabolites such as amino acids and phenols were closely related to the color parameters L~*, a~* and b~*; POD was correlated with amino acids and phenols; PPO had strong correlation with phenols. The results indicated that the color change of Magnoliae Officinalis Cortex during "sweating" was closely related to the reactions of enzymes dominated by PPO and POD. The study analyzed the correlations among the main differential metabolites, color parameters, and enzyme activities of Magnoliae Officinalis Cortex in the "sweating" process. It reveals the common law of material changes and ascertains the relationship between color changes and enzymatic reactions of Magnoliae Officinalis Cortex during "sweating". Therefore, this study provides a reference for studying the "sweating" mechanism of Magnoliae Officinalis Cortex and is of great significance to guarantee the quality of Magnoliae Officinalis Cortex.

Contributions of flavonoids from citri reticulatae pericarpium to gastric hormones, CD3~+ and TFF3 mRNA expression in rats with spleen deficiency intervened by Liujunzi Decoction / 中国中药杂志

The present study established the spectrum-effect relationship model of flavonoids in Citri Reticulatae Pericarpium(CRP) from 15 batches of Liujunzi Decoction and statistically analyzed the correlation between chemical peaks and efficacy to identify the main effective components. HPLC fingerprints of flavonoids in CRP from 15 batches of Liujunzi Decoction were established. HPLC analysis was carried out on the Venusil XBP C_(18)(L) column(4.6 mm×250 mm, 5 μm) at 30 ℃ with acetonitrile-water(containing 0.1% formic acid) as mobile phase for gradient elution, a flow rate of 1.0 mL·min~(-1), and detection wavelength of 300 nm to obtain chemical fingerprints. Additionally, the effects of flavonoids from CRP in 15 batches of Liujunzi Decoction on the content of GAS, MTL, and VIP, TFF3 mRNA expression, and percentage of CD3~+ T-cells of model rats with spleen deficiency were determined. The spectrum-effect relationship model was established by gray correlation analysis. The results showed that the main characteristic peaks with great contribution to the regulation of gastrointestinal tract were peak 16(vicenin-2), peak 63(sinensetin), peak 64(isosinensetin), peak 65(nobiletin), peak 67(3,5,6,7,8,3',4'-heptemthoxyflavone), peak 68(tangeretin), and peak 69(5-desmethylnobiletin). Therefore, there was a linear correlation between flavonoids from CRP in Liujunzi Decoction and the efficacy, and the medicinal effect was achieved by multi-component action. This study is expected to provide a new idea for exploring the material basis of the effect, i.e., regulating qi prior to replenishing qi, of CRP in Liujunzi Decoction.

Grey correlation analysis and path analysis between isoflavones content in Astragali Radix and climate factors / 中国中药杂志

In this study, HPLC was used to determine the content of the four isoflavones of Astragalus membranceus var. mongholicus from different regions(calycosin-7-glucoside, ononin, calycosin and formononetin), and gray correlation analysis and path analysis were used to explore the influence of climate factors on the content of isoflavone components in A. membranceus var. mongholicus. The results showed that there were significant differences in the content of the four isoflavones in different areas(P<0.05); grey correlation analysis showed that the highest temperature in July, the lowest temperature in January and the daily average temperature had a greater impact on the content of flavonoid glycosides, meanwhile precipitation and relative humidity were the more important factors for the accumulation of flavonoid aglycones. According to the general analysis, the direct positive effects of the lowest temperature in January and altitude on the contents of four isoflavones in A. membranceus var. mongholicus were significant. High altitude and extreme temperature conditions might be more adverse to the formation and accumulation of isoflavone components. Therefore, the religions of A. membranceus var. mongholicus with high contents of isoflavones should be chosen the low altitude region with higher minimum temperature in January. This study provides a reference basis for the quality evaluation of A. membranceus var. mongholicus, and basic data for the selection of suitable habitat, construction of planting standards and directional cultivation of medicinal materials in A. membranceus var. mongholicus.

Spectrum-effect Relationship of Anti-inflammatory Active Components from Nonvolatile Fraction of Blumea balsamifera Based on Gray Correlation Analysis / 中国实验方剂学杂志

Objective: To study the correlation between UPLC fingerprint of anti-inflammatory effect of active components from nonvolatile fraction of Blumea balsamifera, and to provide the basis for clarifying the anti-inflammatory material basis of B. balsamifera. Method: UPLC was used to establish fingerprint of nonvolatile fraction of 12 batches of B. balsamifera and their common fingerprint peaks were identified by UPLC-Q-TOF-MS.The corresponding pharmacodynamic data were obtained by auricle swelling and inflammation model mice induced by xylene, and spectrum-effect relationship was established by gray correlation analysis. Result: A total of 14 common peaks in nonvolatile fraction of B. balsamifera were established by UPLC fingerprint and 9 common peaks of them were identified.The correlation between UPLC fingerprint and the anti-inflammatory activity was from 0.717 1 to 0.550 5.The contribution of chemical compositions represented by each characteristic peak to the anti-inflammatory efficacy was in the order of peak 3 > peak 9 > peak 4 > peak 11 > peak 2 > peak 1 > peak 14 > peak 7 > peak 6 > peak 5 > peak 12 > peak 8 > peak 10 > peak 13, and the top two peaks with strong contribution to anti-inflammatory effect were peak 3 and peak 9, they were 3-O-caffeoylquinic acid and 3, 5-di-O-caffeoylquinic acid identified by contrast reference substances, respectively. Conclusion: The active substances in nonvolatile fraction of B. balsamifera are obtained through the study on the relationship between spectrum and efficiency, and the anti-inflammatory efficacy of the nonvolatile fraction is the result of combination of various components.It is clear that the caffeoylquinic acid derivates act as predominant anti-inflammatory active substance of nonvolatile fraction of B. balsamifera.

Study on anti-inflammatory activities in vitro and in vivo and relation of fingerprint with pharmacodynamics of Notopterygii Rhizoma et Radix from three commercial specifications / 中草药

Objective: To explore the difference of anti-inflammatory effects in vitro and in vivo between Canqiang, Tiaoqiang and Datouqiang, and to obtain the anti-inflammatory active substances by relation of fingerprint with pharmacodynamics. Methods: Dimethylbenzene for the induction of a mouse ear edema in vivo and LPS-stimulated RAW 264.7 cells in vitro were used to investigate the anti-inflammatory activity, inflammatory factors such as nitric oxide (NO), tumor necrosis factor-α (TNF-α) and interleukin-6 (IL-6) were determined by NO kit and ELISA kit, and the gray correlation analysis method was used to analyze the correlation between the peak area and the anti-inflammatory activity of the fingerprint features of each sample. Results: Different commercial specifications presented inhibition on acute inflammation of ear edema and inflammatory factors NO, TNF-α and IL-6, and anti-inflammatory effects were Canqiang > Datouqiang > Tiaoqiang. The chemical composition represented by 40 characteristic peaks was related to anti-inflammatory activity, and 17 characteristic peaks were highly correlated with this effect, among which three peaks were known components, namely chlorogenic acid, ferulic acid and isoimperatorin. Conclusion: The anti-inflammatory effect of Canqiang was the most significant, which was consistent with Canqiang being the most expensive and effective in the market, also with traditional grading standards. This study initially obtained anti-inflammatory active substances were chlorogenic acid, ferulic acid and isoimperatorin.

Overall Evaluation on Mutual Detoxication Mechanism of Tripterygii Radix et Rhizoma and Lysimachiae Herba by Correlation Analysis of “Chemical Composition Spectrum-attenuation Spectrum-biological Information Spectrum” / 中国实验方剂学杂志

Objective: To overall evaluate the mutual detoxication mechanism of Tripterygii Radix et Rhizoma(LGT) compatible with Lysimachiae Herba(JQC) in tumor-bearing state.Method: Twelve differentially characteristic components before and after compatibility were used as chemical composition spectrum,six indicators including serum alanine aminotransferase(ALT),aspartate aminotransferase(AST),creatinine(Cr) and urea nitrogen(BUN),malondialdehyde(MDA) levels in the liver and kidney tissues were used as attenuation spectrum,and twelve biological indicators including glutathione(GSH),glutathione-S-transferase(GST),glutathione peroxidase(GPx),superoxide dismutase(SOD),catalase(CAT) and interleukin(IL)-10 in the liver and kidney were used as the biological information spectrum.Mutual detoxication mechanisms of LGT compatible with JQC in tumor-bearing state were overall evaluated by principal component analysis(PCA),and the contribution of chemical components and biological indicators to mutual detoxication was further evaluated by gray correlation analysis(GCA) of "chemical composition spectrum-attenuation spectrum-biological information spectrum".Result: Compared with the model group,the attenuation spectrum scores Z values of S180(Z1 value) and H22(Z3 value) increased significantly after LGT being used alone(PZ1 value and Z3 value caused by LGT when the ratio of LGT and JQC was 4:1,2:1,1:1,1:2 and 1:4(PZ values(Z1 value and Z3 value) of LGT-JQC in the mass ratios including 4:1,1:1,1:2 and 1:4 was significantly higher than that in the ratio of 2:1(PZ values of the bioinformatics scores in the S180(Z2 value) and H22(Z4 value) tumor-bearing state,these two values were significantly increased after compatibility with JQC.The chemical components contributing the most to the attenuating effect of S180 and H22 in tumor-bearing state were 3# and 10#,respectively.The most important biological indicators were kidney GPx and renal GSH.Conclusion: LGT combined with JQC in the mass ratio of 4:1-1:4 can attenuate LGT-induced subacute toxicity in S180 and H22 tumor-bearing state,and the best ratio of such effect is 2:1.The attenuating effect reflects the thought of "there is no reason why there is no meteorology".The mechanism of attenuating action involves antioxidative damage and anti-inflammatory reaction of the liver and kidney,especially the renal GPx(S180) and renal GSH(H22) as the greatest contribution to the detoxication mechanism.

Quality Evaluation of Radix et Rhizoma Rhei Based on Gray Correlational Analysis and Functional Components / 世界科学技术-中医药现代化

Objective: To comprehensively evaluate the quality of Radix et Rhizoma Rhei based on gray correlationalanalysis and functional components, and to explore the difference of Radix et Rhizoma Rhei in different genuineproducing areas. Methods: HPLC was utilized to analyze 14 main compositions contained in the samples, includingemodin, rhein, chrysophanol, aloe-emodin, physcion, rheinoside, physcion glucoside, chrysophan, aloe-emodinglucoside, emodin methyl glycoside, sennoside, sennoside B, catechin and gallic acid. Then python 2.7 software wasemployed for gray correlation analysis of functional components closely related to the traditional efficacy of Radix et Rhizoma Rhei. Results: The qualities of Radix et Rhizoma Rhei grow in different areas were different. Tanggute Radix et Rhizoma Rhei grew in Tianzhu Gansu had the best effects of "expelling water retention and attacking the accumulation", and that grew in Yajiang Sichuan had the best effects of "clearing heat and removing toxin". Zhangye Radix et Rhizoma Rhei grew in Lixian Gansu had the best effect of"expelling stasis and unblocking the channels". Conclusion: Patternrecognition has broad prospects in the field of quality evaluation of traditional Chinese medicine. From the clinicalefficacy of traditional Chinese medicine, pattern recognition at the level of efficacy components can provide a new ideafor establishing a more complete and scientific quality evaluation system for traditional Chinese medicine.

GC/MS-based dynamic analysis of Eucalyptus camaldulensis extract on corre-lation of chromatography-activity against Oncomelania hupensis / 中国血吸虫病防治杂志

Objective To determine the contributions of main chemical compositions of extracts of Eucalyptus camaldulensis represented by GC/MS elute peaks to the molluscicidal activities,and explore a shortcut of looking for the effective components from natural products. Methods E. camaldulensis leaves were collected consecutively in 12 months at the same place,extracted with dichloromethane,analyzed by GC/MS,and their LC50(s)of molluscicidal activities were tested according to the method rec-ommended by WHO. The correlation of the main components in 12 extracts and their molluscicidal activities were analyzed by the grey relative correlation analysis model with software GTMS 3.0. Result All the dichloromethane extracts of eucalyptus leaves showed excellent molluscicidal activities with the highest LC50 of 0.257mg/L and 0.242mg/L for the samples in June and July and the lowest LC50 of 6.802 mg/L and 5.406 mg/L in December and January respectively. The structures of 16 main chemical compo-nents were elucidated by GC/MS and NIST Mass Spectral Library,most of which were monoterpenes and sesquiterpenoids. The gray correlation coefficients with activity were all over 0.5,the first five over 0.9 were 4,4,8-Trimethyltricyclo[6.3.1.0(1,5)]do-decane-2,9-diol,(-)-Spathulenol,a structural isomer of(-)-Spathulenol,Eucalyptol and Ledol. Conclusion The most main in-gredients in the dichloromethane extracts of E. camaldulensis leaves show good correlations with the molluscicidal activity,which suggests that the molluscicidal role is synergistically played by the multiple components together.

Influence factor analysis of application of the new gray correlation analysis method to hospitalization costs / 中华医学教育探索杂志

Objective By investigating the influencing factors and the tendency of devel-opment of 6-year hospitalization costs in our hospital,our hospital explores an appropriate way of analysis on the influencing factors of medical costs,in order to offer some quantifiable evidence of evaluating and meaningful references to controlling medical costs. Methods to use the new method of gray correlation analysis to make the quantitative analysis of the composing of the hospital fees from 2002 to 2007.Results the new method of gray correlation analysis is able to overcome the influence of non-dimensional treatment which affects the role of factors and simplifies the calculation steps. Conclusion It is a statistical analysis method whose result is reasonable and reliable,whose application is flexible and simple. It can also offer a quantifiable index of the tendency of the system of development and changes. It is suitable for measuring the interrelated degree among the factors and the dynamic process of analysis.