Study On The Quality Analysis And Evaluation Of Traditional Chinese Medicine Based On The Combination Of Spectral Technology And Chemometrics

Traditional Chinese medicine is the traditional cultural heritage of China and a strategic resource for our country.The quantity of Chinese herbal medicine is the largest,and the quality of Chinese herbal medicine directly affects the therapeutic effect.The development of rapid,accurate and highly sensitive control methods of quality control of Chinese medicine has become a breakthrough point for the development and expansion of the Chinese medicine industry and internationalization.In this paper,multiple spectroscopic techniques combined with chemometric methods are used for the rapid quality analysis and evaluation of Chinese medicinal preparations,herbal medicines and herbal foods,as follows:In the second chapter,based on mid-infrared spectroscopy(MIR)and near-infrared(NIR)spectroscopy technology combined with partial least squares(PLS)method,a rapid prediction model of quality parameters(baicalin,phillyrin,chlorogenic acid)of Shuang-Huang-Lian injection from different manufacturers was developed,and the quality of Shuang-Huang-Lian injection from different manufacturers was comprehensively analyzed and evaluated.The correlation coefficients(R~2)of the models ranged from 0.964 to0.994,allowing for accurate prediction.The TOPSIS evaluation and consistency evaluation of injection products from different manufacturers and batches can achieve a comprehensive quality assessment of injection products.The results show that MIR and NIR spectroscopy combined with chemometrics can be used for accurate,rapid quantitative analysis and quality evaluation of Shuang-Huang-Lian injection.In Chapter 3,the feasibility of rapid detection of the three active ingredients and Phellodendron amurense Rupr.(Rutaceae)based on MIR and NIR techniques was investigated.The Competitive Adaptive Re-weighted Sampling(CARS)algorithm was chosen to screen the spectral variables and combine with PLS to construct the prediction model.The results showed that the root-mean-square errors(RMSE)of the CARS-PLS method for the determination of berberine,jatrorrhizine and limonin ranged from 0.00752 to2.29 mg/g,and the R~2ranged from 0.930 to 0.990.Compared with the Full-PLS model,the prediction accuracy of CARS-PLS was significantly improved and could be successfully applied to the quantitative analysis and rapid quality evaluation of Phellodendron amurense.Based on the content of the active ingredients of Phellodendron amurense combined with principal component analysis(PCA)can successfully classify different origins of Phellodendron Bark,and at the same time,the influence of geographical environmental factors on the active ingredients in Phellodendron amurense was investigated.At the same time,explore the influence of geographical environmental factors on the active ingredients in Phellodendron amurense.Combined with TOPSIS analysis and correlation analysis,it can provide a new method for the assessment and certification of the herbal cultivation areas of Phellodendron amurense.MIR and NIR spectroscopy combined with chemometrics can be used for rapid quality evaluation and geographical classification of Phellodendron amurense.In the forth Chapter,the MIR and NIR spectrum of Citri Reticulatae Pericarpium of different years were collected,and the spectral data were analyzed by PLS and back propagation artificial neural network(BP-ANN)algorithms to establish rapid quality evaluation models.The R~2of the model established based on MIR and NIR spectrum were all above 0.919,which could achieve accurate prediction of hesperidin,tangerine and tangerine in tangerine peel.PLS-DA combined with MIR and NIR spectrum were used to classify tangerine peel samples of different storage years,and both models could achieve100%identification.MIR and NIR spectroscopy combined with chemometrics can be successfully applied to the rapid quality evaluation of tangerine peel.The above content shows that the spectral method combined with chemometrics is a feasible method for rapid quantitative analysis and quality of traditional Chinese medicine,and the method is simple,fast,accurate,reliable and environmentally friendly.