Q-marker prediction analysis of Gentiana rigescens Franch. based on HPLC and network pharmacology / 药学学报

Aa a characteristic medicinal plant in China, Gentiana rigescens Franch. has the function of protecting the liver and invigorating the spleen. At present, there are a few studies on the content determination method of characteristic components of G. rigescens, so it is necessary to establish a scientific and effective quality control method; In this study, The high performance liquid chromatography (HPLC) fingerprint of G. rigescens was established, based on literature reviewed and characteristic spectrum identified, the source range of G. rigescens quality marker (Q-marker) was screened. The effectiveness of the ingredients and the corresponding targets and pathways was analyzed through network pharmacology, and drew the diagram of ''component-target-pathway''. Qualitative and quantitative analysis of G. rigescens was performed by HPLC, and screen the main marker components leading to the differences between groups which were determined the Q-marker of G. rigescens; The literature and HPLC had determined that five iridoids were the main source of G. rigescens Q-marker. The network pharmacology (effectiveness) and qualitative and quantitative (detectability) analysis of G. rigescens from different producing areas confirmed that gentiopicroside, swertiamarin, and sweroside can be used as the main landmark components, and there were significant differences in their contents among different producing areas; The analysis of G. rigescens from different producing areas was carried out by network pharmacology and chemical fingerprints, it is confirmed can be used as potential Q-marker to provide sufficient theoretical basis for the quality control of G. rigescens in the later period.

Application of oscillating chemical fingerprint technology combined with mathematical analysis method in quality control analysis of traditional Chinese medicine and food / 中国中药杂志

Oscillating chemical fingerprint is a nonlinear dynamic fingerprint technology that reflects the overall redox activity of the entire system based on potential-time changes in multi-stage chemical reactions. This article summarizes the application of oscillating chemical fingerprint technology combined with mathematical analysis method in the qualitative and quantitative analysis of traditional Chinese medicine and food in recent years, including similarity analysis, principal component analysis, cluster analysis and other qua-litative analysis methods, as well as linear, logarithmic, exponential, polynomial, multivariate analysis and other quantitative analysis methods, so as to provide meaningful information for further quality control analysis of the oscillation chemical fingerprint technology in the field of traditional Chinese medicine and food.

Qualitative and quantitative analysis of Rhodobryum giganteum by using nonlinear oscillating chemical fingerprint technique / 中国中药杂志

A new method for qualitative and quantitative analysis of Rhodobryum giganteum by using the nonlinear oscillating chemical was established for improving the quality control standard of R. giganteum. Its potential(E)/time(t) curve was recorded by electrochemical workstation in the oscillation reaction system of BrO~-_3-Ce(SO_4)_2-H_2SO_4-malonic acid/tartaric acid. The nonlinear oscillating chemical fingerprints were investigated for repeatability, and it was found that the RSD values of the four characteristic parameters of R. giganteum were less than 4.1%, indicating a good repeatability and high precision of this experiment. After optimizing the experimental parameters such as particle size, rotation speed and temperature, a new method based on nonlinear oscillating chemical was used for qualitative and quantitative analysis of R. giganteum. The results showed that there was a good linear relationship between the induction time/the period of oscillation and the dosage of herbs(0.1-1.1 g), with the relative coefficients of 0.978 and 0.975, respectively. Besides, the highest potential showed a nonlinear relationship with the dosage of herbs, with the relative coefficient of 0.999. This method was also used to discriminate the R. giganteum and R. roseum. They were similar in appearance, but their fingerprints were quite different. Independent sample t test results showed that there were significant differences in the oscillation time, the maximum amplitude and the induction time, providing a basis for the identification of the basic sources of Herba Rhodobryi Rasei.

Research methods and applications progress on spectrum-effect relationships in study of traditional Chinese medicine / 中国中药杂志

The application of chemical fingerprint to evaluate the quality of traditional Chinese medicine has been widely accepted and used in many countries. However,only by analyzing the type and content of its chemical components to evaluate the quality of traditional Chinese medicines,the gold standard of quality evaluation by evaluating pharmacodynamic effects is ignored. The study of Chinese medicinal spectrum-effect relationships combining the chemical composition with the pharmacodynamic activity of traditional Chinese medicine,which can evaluate the quality of traditional Chinese medicine from more comprehensive and different angles,has been applied in many fields of traditional Chinese medicine research. This paper mainly summarizes the research methods of the Chinese medicinal spectrum-effect relationships and its application in the field of traditional Chinese medicine study,and provides reference for the research,development and application of the Chinese medicinal spectrum-effect relationships.

Change of moisture transformation and chemical constituents in drying/rehydration process of fresh Chinese medicines (ginseng) / 中草药

Objective: To study the changes rule of active ingredients content and moisture status during the process of dry (drying/steaming) and rehydration (decoction), which could provide technical support for optimizing the dry/rehydration conditions of Chinese medicine and scientifically determine the end point of the process, and it also provides a new scientific perspective for exploring the differences in fresh/dry/processing of traditional Chinese medicine. Methods: Low-field NMR and imaging techniques (LF-NMR, MRI) were used to determine the change of water with time; The content changes of main composition of ginsenosides in different samples were determined by HPLC. Results: The results of determination of moisture and chemical composition showed that: The fresh ginseng was steamed for 180 min. At this time, the water was saturated, the ginsenosides tended to be stable, and the content of total ginsenosides was high. When fresh ginseng and red ginseng were dried at different temperatures for 12.5 h, they were not completely dried at 40 ℃ hot-air drying; The sun-dried ginseng still contained 3.02% water at 50 ℃ hot-air drying, and the red ginseng has been dried; Both of them have been dried at 60 ℃, but the content of total ginsenosides in ginseng and red ginseng was the highest at 50 ℃. The comprehensive results showed that ginseng and red ginseng were better at 50 ℃ hot-air drying. During rehydration (decocting), the moisture content of the decoction for 60 min was fully saturated and the content of total ginsenosides was higher, better than 30 min and 120 min, which was a better decocting condition. The moisture content and total ginsenosides content of fresh ginseng were higher than those of steaming/drying/decocting ginseng, suggesting that fresh ginseng is great significance for preserving and exerting the basic state of the initial pharmacodynamics of traditional Chinese medicine. Conclusion: In this study, ginseng was used as an example. LF-NMR/MRI and HPLC techniques were used to focus on the changes of moisture and chemical contents during the drying (drying, processing) and rehydration (decocting) of traditional Chinese medicines. It provides a new technical method for the determination of the dry/rehydration end point and the optimization of process conditions for traditional Chinese medicine, and also provides a new scientific basis for the interpretation and exploration of the theory of fresh/drying/processing of traditional Chinese medicine.

Evaluation of chemical quality profile of Polygoni Multiflori Radix at different processing degrees based on its classic processing method "nine-steaming and nine-sun-curing" / 中国中药杂志

Based on the ancient method of nine-steaming and nine-sun-curing,the chemical composition changes and quality profiles in different processes of Polygoni Multiflori Radix were studied. Their contents of stilbene glycoside,anthraquinones and polysaccharides were determined by nine-steaming and nine-sun-curing with black bean juice and pharmacopoeia method. HPLC chemical fingerprints were established,and orthogonal partial least squares-discriminant analysis( OPLS-DA) was performed on different processed products using SIMCA 14. 1 software to evaluate the quality difference between samples. The results of content determination show that,with the increase of the number of processing and steaming times,the stilbene glycoside and the combined anthraquinone showed a decreasing trend,and the free anthraquinone,total anthraquinone and polysaccharide showed an upward trend in the different preparations of Polygoni Multiflori Radix and Pharmacopoeia. Six-steamed and six-sun-cured products can be used as the finishing point for the classic steaming. Fingerprint results showed that there were significant differences in chemical composition in Polygoni Multiflori Radix at different processing processes. It can be identified stilbene glycoside( peak 13),emodin( peak 21),and physcion( peak 24). By comparing the relative peak areas of the 26 chromatographic peaks in the sample after normalization( the reference is peak 7),it was found that the relative peak areas of 12 peaks in the processed products were higher than the raw products,13 peaks were reduced; according to statistical analysis of OPLS-DA,Polygoni Multiflori Radix at different processing degrees was further divided into three categories,sample S1 was class I,S2-S5 were class Ⅱ,and S6-S11 were class Ⅲ． And 8 peaks with the VIP value higher than 1. 0 were peak 13,21,4,3,11,14,5,and 24 in order. The eight chemical components were the main components to distinguish the difference between Polygoni Multiflori Radix in the process of nine-steaming and nine-sun-curing,suggesting that it was rational to use stilbene glycoside,emodin and emodin methyl ether as quality control indicators of Polygoni Multiflori Radix. The method established in this experiment conformed to the methodological verification requirements,established a method of multi-component content determination combined with fingerprint,and clarified that six-steaming and six-sun-curing was used as an improved classical processing technology,and more clearly defined the whole dynamic change of chemical composition in Polygoni Multiflori Radix by nine-steaming and ninesun-curing process. It provides a basis for the chemical quality evaluation model about different processed products of Polygoni Multiflori Radix.

Chemical fingerprinting and similarity analysis of Lonicera japonica resources / 中国中药杂志

LC-MS was used to detect 41 population of Lonicera japonica from different areas. LC-MS chemical chromatographic profile has been established. There were 23 common peaks, seventeen of which were identified according to reference standard and reference; SPSS software was applied to calculate the similarity of chemical fingerprints of 41 batches and the range was from 0.99 to 0.12. On this basis, the L. japonica's metabolites consistency was classified. Combined with comprehensive analysis of genetic identity, we can provide a theoretical basis for the authenticity research of Dao-di herbs and reference information for the breeding of excellent L. japonica.

Identification of different ginsengs and producing areas of Panax quinquefolium using non-linear chemical fingerprint / 药学学报

Panax quinquefolium and Panax ginseng were investigated using non-linear chemical fingerprint technology, and a novel method to identify two ginsengs and different producing areas of P. quinquefolium was put forward. The non-linear chemical fingerprints of P. quinquefolium(collected from Canada, Jilin and Shaanxi)and P. ginseng (collected from Jilin)were obtained by reactions took place in the system of "H2SO4-MnSO4-CH3COCH3-NaBrO3" and their system similarities were evaluated. In the meantime, the quality difference in P. quinquefolium from different producing areas was evaluated using HPLC to determine the contents of main 7 ginsenosides. As a result, the non-linear chemical fingerprints exhibited a good reproducibility and characteristic when dosage of detection was 0.4 g and the reaction temperature was 37 ℃. The fingerprint characteristics of P. quinquefolium were obviously different from P. ginseng. The two species of ginsengs could be distinguished by the visual fingerprint characteristics, and P. quinquefolium from different producing areas were identified by the system similarities. Furthermore, HPLC analysis showed that the quality P. quinquefolium from different producing areas was varied, which indicated that rapid identification and quality evaluation of P. quinquefolium become very important and necessary. Compared with HPLC technology, non-linear chemical fingerprint is a more convenient, rapid and economic technology. This study provides a novel strategy to distinguish and evaluate P. quinquefolium and P. ginseng, which will provide a reference for the quality evaluation and control of Chinese medicine.

Application of fisher component analysis to study chemical fingerprint feature similarities of fructus trichosanthis and its processed products / 国际药学研究杂志

Objective: To explore whether the basic principle of Fisher component analysis(FCA) can be used in the category analysis of Fructus Trichosanthis fruit and its processed products. Methods: Their fingerprints were established by using HPLC-PDAD, and the standard fingerprints of them were obtained by digitizing with quercetin as the internal reference peak. Then, their chemical fingerprint information was extracted by FCA and classified by quality model, and the classification results were compared with those classified by principal component analysis and standard atlas analysis. Results: Fructus Trichosanthis and its processed products can be accurately divided into two categories by FCA. Conclusion: FCA can extract the implied chemical information in fingerprints, and analyze them accurately.

Application of Fisher component analysis to study chemical fingerprint feature similarities of Fructus Trichosanthis and its processed products / 国际药学研究杂志

Objective To explore whether the basic principle of Fisher component analysis(FCA)can be used in the catego?ry analysis of Fructus Trichosanthis fruit and its processed products. Methods Their fingerprints were established by using HPLC-PDAD,and the standard fingerprints of them were obtained by digitizing with quercetin as the internal reference peak. Then,their chemical fingerprint information was extracted by FCA and classified by quality model,and the classification results were compared with those classified by principal component analysis and standard atlas analysis. Results Fructus Trichosanthis and its processed products can be accurately divided into two categories by FCA. Conclusion FCA can extract the implied chemical information in fin?gerprints,and analyze them accurately.

A rapid method for chemical fingerprint analysis of Pan Panax notoginseng powders by ultra performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry / 中国天然药物

A method coupling ultra-performance liquid chromatography (UPLC) with quadrupole time-of-flight mass spectrometer (Qtof MS) using the electrospray ionization (ESI) source was developed for the identification of the major saponins from Panax notoginseng powder (PNP). Ten different PNP samples were analyzed and evaluated for their quality by similarity evaluation and principle component analysis (PCA). Based on the accurate mass, summarized characteristic fragmentation behaviors, retention times of different types of saponins, related botanical biogenesis, and reported chromatographic behavior of saponins, fifty-one common peaks were effectively separated and identified, including 28 protopanaxadiol saponins and 18 protopanaxatriol saponins. Simultaneously, 15 significant discrepancy compounds were identified from the disqualified PNP samples. The established UPLC/Qtof MS fingerprint method was successfully applied for profiling and identifying the major saponins of PNP, providing a fast quality evaluation tool for distinguishing the authentic PNP and the adulterated products.

Studies on metabolism of Chinese materia medica of radix from Paeonia lactiflora Pall / 国际中医中药杂志

ObjectiveTo research the metabolism of components in the Radix of Paeonia lactiflora Pall. Methods(①) we established the HPLC fingerprint of water extract of Paeonia lactiflora Pall. and real-time monitored the chemical composition. (②) We established the HPLC fingerprint of rats' serum samples from hepatic portal vein, serum samples from aorta abdominalis and samples of intestinal absorption of Paeonia lactiflora Pall. (③) On this basis, using the established methods, I-IPLC fingerprint spectrum of serum samples,the sample of herb, the sample after intestinal metabolism, rats' serum samples from hepatic portal vein and rats'serum samples from aorta abdominalis were analyzed and compared in order to infer the metabolism of components in the Radix of Paeonia lactiflora Pall. Results24 compositions were detected, seven of which were metabolized by intestinal flora and could not be absorbed into blood; six of them could not be absorbed directedly into intestinal; eight new compounds were absorbed into blood after bowel metabolism while they were not detected in water extract in Paeonia lactiflora Pall. ConclusionWe could infer the metabolic processes of chemicals of Paeonia lactiflora Pall. in oral administration with this method.