| Objective The feedforward control based on the TOPSIS method is used to homogenize alcohol extracts of different batches of Salvia miltiorrhiza.Elaboration of metabolic profile of Dangshen-Honghua herbal pair in normal rat and rat with cerebral ischemia reperfusion injury.Methods 1.Firstly,the near-infrared diffuse reflectance spectra of Salvia miltiorrhiza were obtained.Then a high-performance liquid chromatography method has been developed for the simultaneous quantification of eight active components(danshensu,protocatechualdehyde,salvianolic acid B,salvianolic acid A,tanshinone Ⅰ,cryptotanshinone,tanshinone ⅡA,rosmarinic acid)contained in alcohol extracts of S.miltiorrhiza.On the basis of single factor experiment and content determination experiment,extraction time,extraction temperature and ethanol concentration were taken as numerical factors,the batch was taken as categorical factors,eight control targets in the alcohol extract which were comprehensively evaluated by TOPSIS method was take as response of I-optimal experimental design for the experiment.Finally,a genetic neural network model which reflect the relationship between nearinfrared data,process parameters and the effective components was established.Based on the established model,the extraction process can be adjusted according to the nearinfrared data to decrease the difference in eight active components caused by batch change.2.Plasma,fecal urine liver,kidney,brain of normal and MCAO model rats which were administered water extract of danshen-honghua herbal pair were collected.High performance liquid chromatography-quadrupole time-of-flight mass spectrometer(UHPLC-Q-TOF/MS)was used to analyze these biological samples and water extract of danshen-honghua herbal pair.Then,on the basis characterization of chemical constituents of water extract of danshen-honghua herbal pair,analysis strategy based on UNIFI platform was used to identified prototype and metabolites in biological samples rapidly.3.A ant colony algorithm optimized BP neural network which take molecular description as independent variable and retention time as dependent variable was established to reflect quantitative structures-retention relationship(QSRR).According to molecular description of metabolite of danshen-honghua herbal pair in vivo,prediction retention time of metabolite was produced which acting as an additional filter to increase the confidence of metabolite identificationResults 1.Based on the established models,extraction conditions were optimized according to near-infrared data.The RSD value of each component content in alcohol extract of S.miltiorrhiza was reduced from 24.9%to 13.5%.2.Based on established HPLC-Q-TOF/MS data analysis which combine UNIFI with QSRR model,metabolites of danshen-honghua herbal pair were characterized.Total of 61 chemical constituents of water extract of danshen-honghua herbal pair were identified.24 prototype and 80 metabolites were identified and distribution in vivo was determined in normal and MCAO model rats after administration of water extract of danshen-honghua herbal pair.3.A QSRR model with was established to predict retention time of metabolites.With the predicted retention time as the screening criteria,44 metabolites of 80 identified metabolites were retained.Conclusion 1.The feedforward control based on the TOPSIS method has ability to improve the quality and consistency of the alcohol extract of S.miltiorrhiza.2.Based on the UNIFI analysis platform,an analysis strategy was established to analyze the UHPLC-Q-TOF/MS data,which identify chemical components,prototype and metabolites of the water extract of danshen-honghua herbal pair rapidly.3.QSRR model built by ant colony algorithm optimized BP neural network is a useful tool to predict the retention times of metabolites of water extract of danshenhonghua herbal pair to improve the accuracy of metabolite identification results.4.Hydroxysafflower yellow A,salvianolic acid B and salvianolic acid A were the most widely distributed prototype components in vivo.The analysis of metabolites showed that phenolic acids were main metabolized chemical constituent of danshenhonghua herbal pair.From the perspective of metabolic pathway,sulfation,methylation,reduction,hydroxylation are the main metabolic pathways of the effective components in the danshen-honghua herbal pair.Metabolites of normal and MCAO model rats are differences.3 metabolites specific to MCAO rats were identified by combine UINIF analysis platform with QSRR model. |
PDF Full Text Request