[Comparative analysis and research on composition of mulberry-sourced medicinal materials by fingerprint division total statistical moment method and information entropy].

The present work is to analyze the HPLC fingerprints of mulberry-sourced materials(Mori Ramulus, Mori Folium, Muri Cortex, Mori Fructus) using the fingerprint division total statistical moment method and information entropy, and to study the diffe-rences of the chemical components and the overall characteristics of the imprinting template in different parts of mulberry-sourced medicinal materials, so as to provide the basis for finding the effective substances in response to "homologous and different effect" of mulberry(Morus alba). The fingerprints of 24 batches of mulberry-related materials, such as Mori Ramulus, Mori Folium, Muri Cortex, Mori Fructus, were established, and the similarities and differences of the fingerprints were analyzed by calculating the division total statistical moment parameters and information entropy. The AUC_T, MCRT_T, VCRT_T and H values of 24 batches of mulberry-sourced materials were less than 0.05, with significant difference. Among them, all samples showed absorption peaks within 3-11, and 20-24 min, indicating that the four types had the identical or similar chemical composition in the same time period. After 34 min, none of the four types showed absorption peaks. Greater VCRT_T value of the fingerprints of the four kinds was observed at the retention time ranges of 3-4, 16-18, 25-27, and 31-32 min, indicating that the components of the four kinds were significantly different in these time periods; and VCRT_T value of the mulberry was significantly higher than that of the other three kinds of medicinal materials at the retention time windows of 3-4 and 15-17 min; the VCRT_T value of the mulberry white skin was significantly higher at the time windows of 8-10 and 28-30 min; the VCRT_T value of all four kinds was significantly higher within 21-23 min, indicating that the four herbs contain the same or similar components in the chromatogram during this period, but there may be significant differences between the content and the proportion. In addition, the information entropy of mulberry branches is the largest at 7-12, 23-27 min, and that of mulberry fruits is the largest at 2-8 min, which indicates that the components of mulberry branches and mulberry fruits respond greatly in the corresponding period of time, which is also the main peak period of their chemical components. For the chemical components and corresponding efficacy here. The results showed that there are significant differences in the components and contents of mulberry-sourced medicinal materials. The division total statistical moment and information entropy of the total amount of segments can be used to analyze the differences in the components of "homology and different effects", which could provide a more comprehensive analysis method for the determination of quality markers.

[Dynamic chromatopharmacokinetics model for components in Chinese medicine and validation in Buyang Huanwu Decoction].

The Chinese medicine is mostly derived from plants or animals, highly polymorphic, with dynamic components which are reflected by the characteristic peaks and fingerprint peaks in chromatographic fingerprints. The chromatopharmacokinetics method for determined components is not applicable due to dynamic changes of chromatopharmacokinetics. Based on the preliminary study, dynamic pharmacokinetics mathematical model for multiple components in Chinese medicine was set up and verified by Buyang Huanwu Decoction as the model drug, applying the principle of the total quantum statistical moment(TQSM), superimposing or subtracting the relevant statistical parameters in blood samples and blank samples. This provided a new method for the chromatopharmacokinetic study of Chinese medicine. HPLC was used to determine the TQSM parameters in blood and blank sample fingerprints of Buyang Huanwu Decoction at each point, and the overall TQSM parameters of drug-containing blood sample and blank samples were obtained with addition calculation of TQSM; while the initial TQSM of the pure drug can be obtained with subtraction calculation. The metabolic and absorption equilibrium constants were calculated iteratively to a steady state using the estimated metabolic equilibrium constants, then the metabolic chromatopharmacokinetic parameters in rats were obtained: VUC_T 1.262×10~8 mAu·s, MRT_T 37.48 h, VRT_T 9.016×10~2 h~2, CL_T 25.79 mL·h~(-1)·kg~(-1), Vs 1.586×10~2 mL·kg~(-1), t_(T,0.5) 6.15 h, respectively. This suggested that 95% of the compounds in whole recipe were metabolized and secreted from the body after 0-96.33 h. The experiment verified that the established mathematical model and the total quantum moment statistics parameters can represent the dose-time relationship of Buyang Huanwu Decoction, which can be used to study on in vivo metabolism dynamics for Chinese medicine.

A rapid extraction process monitoring of Swertia mussotii Franch. With near infrared spectroscopy.

Swertia mussotii Franch. (SMF), a traditional Tibetan medicine, which has miraculous effect on treating hepatitis diseases. However, there is no research on its entire production process, and invisible production process has seriously hindered the SMF modern development. In this study, principal component analysis (PCA), subtractive spectroscopy, and two-dimensional correlation spectroscopy (2D-COS) were used to explain changes of characteristic groups in the extraction process. Four main characteristic peaks at 1884 nm, 1944 nm, 2246 nm and 2308 nm were identified to describe the changes of molecular structure information of total active components in SMF extraction process. In addition, multi critical quality attributes (CQAs) models were established by near-infrared spectroscopy (NIRS) combined with the total quantum statistical moment (TQSM). The coefficients of determination (R2eval and R2ival) were both greater than 0.99. The ratios of the standard deviation of validation to the standard error of the prediction (RPDe and RPDi) were greater than five. The quantitative model of AUCT could save time on primary data measurement by not requiring determination of indicator components compared with others. In conclusion, these results demonstrated that it was feasible to understand the SMF extraction process through AUCT and characteristic groups. These could realize the visual digital characterization and quality stability of the SMF extraction process.

Comparative analysis and research on composition of mulberry-sourced medicinal materials by fingerprint division total statistical moment method and information entropy / 中国中药杂志

The present work is to analyze the HPLC fingerprints of mulberry-sourced materials(Mori Ramulus, Mori Folium, Muri Cortex, Mori Fructus) using the fingerprint division total statistical moment method and information entropy, and to study the diffe-rences of the chemical components and the overall characteristics of the imprinting template in different parts of mulberry-sourced medicinal materials, so as to provide the basis for finding the effective substances in response to "homologous and different effect" of mulberry(Morus alba). The fingerprints of 24 batches of mulberry-related materials, such as Mori Ramulus, Mori Folium, Muri Cortex, Mori Fructus, were established, and the similarities and differences of the fingerprints were analyzed by calculating the division total statistical moment parameters and information entropy. The AUC_T, MCRT_T, VCRT_T and H values of 24 batches of mulberry-sourced materials were less than 0.05, with significant difference. Among them, all samples showed absorption peaks within 3-11, and 20-24 min, indicating that the four types had the identical or similar chemical composition in the same time period. After 34 min, none of the four types showed absorption peaks. Greater VCRT_T value of the fingerprints of the four kinds was observed at the retention time ranges of 3-4, 16-18, 25-27, and 31-32 min, indicating that the components of the four kinds were significantly different in these time periods; and VCRT_T value of the mulberry was significantly higher than that of the other three kinds of medicinal materials at the retention time windows of 3-4 and 15-17 min; the VCRT_T value of the mulberry white skin was significantly higher at the time windows of 8-10 and 28-30 min; the VCRT_T value of all four kinds was significantly higher within 21-23 min, indicating that the four herbs contain the same or similar components in the chromatogram during this period, but there may be significant differences between the content and the proportion. In addition, the information entropy of mulberry branches is the largest at 7-12, 23-27 min, and that of mulberry fruits is the largest at 2-8 min, which indicates that the components of mulberry branches and mulberry fruits respond greatly in the corresponding period of time, which is also the main peak period of their chemical components. For the chemical components and corresponding efficacy here. The results showed that there are significant differences in the components and contents of mulberry-sourced medicinal materials. The division total statistical moment and information entropy of the total amount of segments can be used to analyze the differences in the components of "homology and different effects", which could provide a more comprehensive analysis method for the determination of quality markers.

Research strategy of quality markers of Chinese materia medica based on total quantum statistical moment theory / 中草药

The quality control of Chinese materia medica (CMM) is the basis for ensuring the safety and effectiveness of clinical medication of traditional Chinese medicine. The whole process of Chinese medicine processing has a great impact on the final quality. The research and determination of the Q-marker of CMM are of great significance to the substance basis research on CMM, the identification of Chinese medicinal materials, the processing of CMM, and the processing of CMM pharmaceutics. The total quantum statistical moment (TQSM) can fully reflect the chromatographic fingerprints information of CMM, with additive, coupling and strong anti-interference. It can be used for qualitative and quantitative analysis of the whole process of CMM, and can also be used to explore the pharmaceutic rule of Chinese medicine compound and its pharmacokinetic process, which can achieve a comprehensive reflection of the quality of CMM and its compound. Through systematic analysis of the research progress of Chinese medicine Q-marker and the principle and application of TQSM, this paper attempts to provide ideas for the research and determination of Chinese medicine quality markers based on TQSM.

Analysis of Key Techniques in Development of Primary Standard of Classical Prescription of Chinese Medicine / 中国实验方剂学杂志

Research and development of classical prescription of Chinese medicine has become one of the hot spots in the research of traditional Chinese medicine (TCM), and the successful development of the primary standard is crucial to the application of the classical prescription of Chinese medicine. Primary standard of classical prescription is not only the benchmark to measure the quality of preparation of classical prescription, but also the material basis of whole prescription. The development and quality control mode of single component of western medicine is not suitable for the development of TCM preparation with integral medicinal function. Thus, it is very urgent to develop an exclusive research and development model for TCM. In order to break through the quality control technology of primary standard of classical prescription, and comprehensively and accurately elucidate the transmission rule of the component group value of medicinal materials-decoction pieces-primary standard of classical prescription with the present modern science and technology, the genetic polymorphism of TCM, extraction kinetics, total quantum statistical moment (similarity) method of fingerprint and supramolecular imprinting template were combined and applied to the development of primary standard of classical prescription. In this way, the development and quality control of TCM will be realized in a real sense and the development of classical prescription of Chinese medicine will be accelerated and promoted.

Dynamic chromatopharmacokinetics model for components in Chinese medicine and validation in Buyang Huanwu Decoction / 中国中药杂志

The Chinese medicine is mostly derived from plants or animals, highly polymorphic, with dynamic components which are reflected by the characteristic peaks and fingerprint peaks in chromatographic fingerprints. The chromatopharmacokinetics method for determined components is not applicable due to dynamic changes of chromatopharmacokinetics. Based on the preliminary study, dynamic pharmacokinetics mathematical model for multiple components in Chinese medicine was set up and verified by Buyang Huanwu Decoction as the model drug, applying the principle of the total quantum statistical moment(TQSM), superimposing or subtracting the relevant statistical parameters in blood samples and blank samples. This provided a new method for the chromatopharmacokinetic study of Chinese medicine. HPLC was used to determine the TQSM parameters in blood and blank sample fingerprints of Buyang Huanwu Decoction at each point, and the overall TQSM parameters of drug-containing blood sample and blank samples were obtained with addition calculation of TQSM; while the initial TQSM of the pure drug can be obtained with subtraction calculation. The metabolic and absorption equilibrium constants were calculated iteratively to a steady state using the estimated metabolic equilibrium constants, then the metabolic chromatopharmacokinetic parameters in rats were obtained: VUC_T 1.262×10~8 mAu·s, MRT_T 37.48 h, VRT_T 9.016×10~2 h~2, CL_T 25.79 mL·h~(-1)·kg~(-1), Vs 1.586×10~2 mL·kg~(-1), t_(T,0.5) 6.15 h, respectively. This suggested that 95% of the compounds in whole recipe were metabolized and secreted from the body after 0-96.33 h. The experiment verified that the established mathematical model and the total quantum moment statistics parameters can represent the dose-time relationship of Buyang Huanwu Decoction, which can be used to study on in vivo metabolism dynamics for Chinese medicine.

Consistency Analysis of “Imprinting Templates” of Chinese Medicine Preparations Based on Dynamic Volatile Components in Houttuyniae Herba / 中国实验方剂学杂志

Objective:The homogeneity regularity of "imprinting templates" of compound preparation of traditional Chinese medicine(TCM) was revealed, which provided the basis for effectively controlling the quality of compound preparation of TCM, by clarifying the dynamic changeability in number and content of volatile ingredients in different batches of Houttuyniae Herba. Method:The volatile oil of Houttuyniae Herba was extracted by steam distillation.The volatile components in 11 batches of Houttuyniae Herba were determined by GC-MS(electron ionization, ion source temperature of 230℃, detection range of m/z 40-500) combined with literature and ChemicalBook database.The relative content of each component was calculated by peak area normalization method and analyzed by the total quantum statistical moments of fingerprint. Result:There were only 15 common ingredients in the volatile oil from 11 batches of Houttuyniae Herba, accounting for 3.35%of total number and 73.94%of total content, while the number of non-common ingredients was 433, accounting for 96.65%of total number.However, the RSD of total quantum first moment of GC-MS fingerprint was 6.8%, the RSD of total quantum second moment was 14.8%(RSD of standard deviation was 7.4%), and the RSD of similarity of total quantum statistical moment was 3.8%.The type and content of volatile ingredients in Houttuyniae Herba were heterogeneous, but their chromatographic behavior of GC-MS fingerprint was uniform, the whole "imprinting templates" was similar. Conclusion:The total quantum statistical moment(similarity) of TCM fingerprint is applicable to quality control of dynamic Chinese medicines, which will play a breakthrough role in the study of homogeneity and stability of material reference and compound preparation for ancient classical formulas.

Imprinting equivalence research of Lonicerae Japonicae Flos and Lonicerae Flos / 中草药

Objective: To explore and confirm the imprinting equivalence of Lonicerae Japonicae Flos (LJF) and Lonicerae Flos (LF) based on the autonomous function of the supramolecular imprinted template, and provide a new solution for double followers dispute. Methods: Using LJF dregs, LF dregs, and Chrysanthemi Flos (CF) dregs as host molecules, and the water extract of LJF, LF, Shuanghuanglian (LJF), Shuanghuanglian (LF), Yinqiaosan (LJF), and Yinqiaosan (LF) as guest molecules, the selective absorb of three host molecules and six guest molecules was carried out. The change of fingerprint of water extract of guest molecules was determinated by HPLC. Then, the MRT and their difference value was calculated through the total quantum statistical moment method,and t-test was performed on it. Results: When the six guest molecules was absorbed by LJF and LF dregs, LJF and CF dregs, LF and CF dregs, the MRT difference value was conducted by t-test. The results were P1 = 0.94 > 0.05, P2 = 0.02 < 0.05, and P3 = 0.04 < 0.05. We can see that all guest molecules was absorbed by LJF and LF dregs. There was no significant difference in the MRT difference value. But when six guest molecules was absorbed by CF dregs. There was significant difference between CF and LJF and CF dreg in the MRT difference value. Conclusion: The statistical data indicated that similarity was existed in both “imprinted template” of LJF and LF. There was difference with CF. It is identified the exist of imprinting equivalence of LJF and LF, which is compatible with clinical medication.

Study on Extraction Kinetic Comparison of Chlorogenic Acid in Lonicerae Japonicae Flos and Lonicerae Flos / 中国中医药信息杂志

Objective To explore the extraction kinetic deviation of the chlorogenic acid (ChA) in Lonicerae Japonicae Flos and Lonicerae Flos through established extract kinetic model of closed system of Chinese materia medica. Methods The content of ChA (W0) and ρ2in Lonicerae Japonicae Flos and Lonicerae Flos were determined by HPLC; The V1and V2were measured by water absorbing further to calculate V0; The value of M, N, L, α, β, and π were estimated by curve fitting using SPSS19.0 edition; The extraction kinetic parameters k, k1′, k2′, ρ1, tmax, cmax, AUC, P%, and D% were calculated by Excel; their similarity was calculate by the total quantum statistical moment similarity (TQSMS). Results The V0, V1,and V2for Lonicerae Japonicae Flos were 18.69, 9.50, and 30.20 mL, respectively. The W0for the ChA in Lonicerae Japonicae Flos were 3.75%, and ρ2was 0.884; The V0, V1, and V2for Lonicerae Flos were 12.79, 7.80, and 37.00 mL, respectively. The W0for the ChA in Lonicerae Flos were 5.67%, and ρ2was 1.020; The extraction kinetic profiles for ChA in Lonicerae Japonicae Flos and Lonicerae Flos were fitted three compartment model. The main kinetic parameters as k were 0.1101, 0.3755 h-1; k1′ were 3.632, 3.288 h-1; k2′ were 53.12, 55.28 h-1; ρ1were 2.731, 2.751; tmaxwere 0.299 5, 0.216 3 h; cmaxwere 0.134 0, 0.252 7 mg/mL; AUC were 3.405, 1.560 h; P% were 35.73% and 44.57%; D% were 0.916 2% and 2.680 7%, respectively. Their TQSMS was 0.963 8, which indicated that the extraction kinetics of ChA in Lonicerae Japonicae Flos and Lonicerae Flos had good similarity. Conclusion The extraction kinetic model described the dissolution behavior and deviation of extraction kinetic profiles for ChA in Lonicerae Japonicae Flos and Lonicerae Flos objectively and effectively. This research can provide some references for further study on extraction processes and preparation of Lonicerae Japonicae Flos and Lonicerae Flos.

Pharmacokinetics study of main effective constituents in Danhong Injection after compatibilities in rats with cerebral ischemia reperfusion injury / 中草药

Objective: Using total quantum statistical moment analysis to evaluate the influence of the main effective constituents in Danhong Injection on the total pharmacokinetic parameters after orthogonal design to research internal compatibility rule of traditional Chinese medicine (TCM) compound. Methods: Using modified middle cerebral artery occlusion (MCAO) method to establish rat disease model of focal cerebral ischemia-reperfusion (I/R) injury. According to the orthogonal design L9 (34) composed of the main effective constituents (danshensu, protocatechuic aldehyde, salvianolic acid B, and HYSA) of Danhong Injection, nine combinations with different dosage ratios were formed, which were used for iv administration in MCAO rats to study the pharmacokinetics of effective constituents after compatibility. Using non-compartmental model of DAS 3.2.6 software to fit the pharmacokinetic parameters and using total quantum statistical moment analysis method to calculate the main total quantum statistical moment parameters. The influence of different compatibilities on the total pharmacokinetics parameters was analyzed by orthogonal test. Results: There were different effects of the main effective constituents with orthogonal compatibilities on the total quantum statistical moment parameters. Danshensu had the strongest effect on the total AUC and had a significant effect (P < 0.05). A3B3C2D1 was the preferred dose combination for AUCt. HYSA had the strongest effect on the total MRT and its optimal ingredient composition was A1B3C1D1. Conclusion: The total quantum statistical moment analysis could combine the pharmacokinetics of danshensu, protocatechuic acid, vanillic acid, salvianolic acid B, and HYSA, and express the total pharmacokinetic behaviors. The total quantum statistical moment analysis method can be used to study the pharmacokinetics of multi-component in TCM compound prescription, which can provide the method for research on internal compatibility rule for TCM compound.

Composition change in extraction process of Huanglian Jiedu Decoction by fingerprint division total statistical moment method / 中草药

Objective: To establish a new analytical method of ingredients transformation during the Chinese material medica (CMM) compound extraction: chromatographic fingerprints division total quantum statistical moment (CFDTQSM) method. Methods: The expression was set up by CFDTQSM method in order to analyze the fingerprint information of Huanglian Jiedu Decoction (HJD), and to explain the ingredients transformation during the CMM compound extraction. Results: It has been concluded by studying the extracting solution of HJD that the ingredients were stabilized after decocting for 160 min. And compared with the extraction process of single herb, some ingredients are restrained in HJD, some are advanced and some new ingredients are produced. Conclusion: The CFDTQSM method could be used to the study on the ingredients transformation during the CMM compound extraction, and the study on extraction time.

Establishment of fingerprint of active fraction from dried body of Catharsius molossus by capillary electrophoresis and analysis by its total quantum statistical moment / 中草药

Objective: To establish capillary electrophoresis (CE) fingerprint of active fraction from the dried body of Catharsius molossus and to explore the feasibility of fingerprint evaluation by total quantum statistical moment method. Methods: Capillary zone electrophoresis (CZE) was used. The electrophoretic conditions were as follows: fused silica capillary column (60 cm × 75 μm), borate solution (75 mmol/L, pH 9.8) as the running buffer, applied voltage of +20 kV, and the detection wavelength of 200 nm. Fingerprint was evaluated by similarity analysis software of Pharmacopeia Committee and total quantum statistical moment method. Results: The CE fingerprint of active fraction from the dried body of C. molossus was established. The similarities in six batches of the active fractions evaluated by similarity analysis software of Pharmacopeia Committee and total quantum statistical moment method had no significant difference. Conclusion: The method is accurate, simple, and reproducible. It could be used for the quality control of active fraction from the dired body of C. molossus. The total quantum statistical moment method could be used to analyze the fingerprint.

Evaluation of release similarity of multicomponents in Zuojin Sustained-Release Tablet by the total quantum statistical moment similarity / 中成药

AIM: To study and evaluate release rules of Zuojin Sustained-Release Tablet(ZJSRT). METHODS: The total quantum statistical moment similarity(TQSMS)was used to evaluate similarity of the chromatographic fingerprints of ZJSRT in vitro dissolution; RESULTS: Compared with the chromatographic fingerprint of the complete dissolution sample,the averages of area under curve of total quantum,mean chromatographic retention time of total quantum and variance of mean chromatographic retention time of total quantum of the ZJSRT's release rules in vitro,from 1 to 12 h,were 2.620?10~8 ?v?sec,74.599 min and 252.481 min~2 respectively,meanwhile their RSD were 62.445%、1.268% and 2.777% coincidently,the similarities range from 0.947 to(0.991,)as average of 0.977 and RSD of 1.491%. CONCLUSION: It is suggested that the TQSMS can evaluate release rules of multicompon and control its quality.