Study On Rapid Detection For The Quality Of Some Herbal Medicines And Chinese Patent Medicines By Near Infrared Spectroscopy

Near Infrared Spectroscopy (NIRS) technology, which has been developing rapidly since90s, is a rapid and nondestructive analysis technique used for the simultaneous determination of multicomponent and the online detection, and has been known as "analysis of giants". Near-infrared (NIR) spectroscopy is based on the absorption of electromagnetic radiation at wavelengths in the range (780～2526nm) between the visible region and mid-infrared region. The characteristic information reflected by NIR spectra mainly arises from overtones and co-frequency absorption of Hydrogen groups involving C-H, N-H, O-H and S-H chemical bonds, et al. Most substances all contain these chemical bonds, so NIRS could be used widely in various fields. Compared with traditional methods, NIRS has advantages of rapid, simple sample pretreatments, the simultaneous determination of multicomponent, environment-friendly and easy to on-line detection, et al, and has been widely applied Food, Agricultural, Pharmaceutical industries, tobacco, petrochemical industries and especially in pharmaceutical industries et al so on.Herbal medicines and Chinese patent medicines have complexed multiple activated components, owing to complexed sample pretreatment, it is very difficulty to meet the need of rapid and real-time on-line detection for the quality monitoring of medicines for traditional methods. In recent years. Near Infrared Spectroscopy analytical technology has been used in traditional Chinese medicine (TCM) analysis by virtue of its unique advantages and shows the great potential of application in the field of Chinese medicine. NIRS has been widely applied for qualitative analysis, quantitative analysis and process analysis. Under the support of Chongqing Science and Technology Commission program (CSTC2010AC5170) and Chongqing Municipal Education Commission and Technology Project of China (KJ111303). this thesis mainly study on the application in the quality detection of three herbal medicines and two Chinese patent medicines by NIRS:1. Rapid Determinations of Polydatin, Resveratrol and Emodin in Rhizoma of Polygonum Cospidatum by Near Infrared Spectroscopy. the results proved the quantitative models of multicomponent in Rhizoma of Polygonum Cospidatum established by NIRS were accurate and reliable, and could be used to rapidly evalue the quality of Polygonum Cospidatum.2. The quantitative models for the simultaneous determination of paeonol and paeoniflorin and the clustering analysis model for rapid identify the origin of Cortex Moutan were established by NIRS and the prediction performance of models were verified.3. Study on fast discrimination of origins of Schisandra chinensis using Near Infrared Spectra, the result proved that the samples could be classified correctly by the qualitative models.4. Study on the quality detection of Zhizijinhua pills using NIR technology combined with the clustering analysis techniques and partial least squares (PLS) algorithm, the result proved that this method was applied for the rapid quality identification and the synchronous determination of three active components of chlorogenic acid, geniposide and baicalin in Zhizijinhua pills with high accuracy and can meet the precision need of rapid detection for the quality of Chinese medicine preparations.5. Study on the quality control of Xiaoer Qingre Zhike oral liquid by near infrared spectroscopy combined with the clustering analysis techniques and PLS algorithm, the result was satisfactory.1. Rapid Simultaneous Determinations of Polydatin, Resveratrol and Emodin in Rhizoma of Polygonum Cospidatum by Near Infrared SpectroscopyA new method of synchronous determinations of polydatin, resveratrol and emodin in the rhizome of Polygonum cospidatum was developed. The reference values of three constituents were measured by the reversed-phase high-performance liqid chromatography (RP-HPLC) with UV detection. The quantitative models were established using near infrared spectroscopy(NIR) technology combining with partial least square (PLS) regression and were optimized, which were evalued by correlation coefficient of calibration set (R2), the root mean square of cross-validation (RMSECV) and the root mean square of prediction(RMSEP). The optical calibration models of polydatin. resveratrol. emodin were successively obtained with R2=95.89.96.04.91.28; RMSECV=0.0881,0.0172,0.130; RMSEP=0.0968.0.0153,0.111. respectively. The results proved that near infrared spectra method used for the quantitative analysis of active components in Polygonum cospidatum owned high accuracy and can meet the precision need of determinations of multicomponents in Rhizoma of Polygonum cospidatum in reality.2. Analysis application on rapid detection of Cortex Moutan by Near Infrared Diffuse Reflectance SpectroscopyA method to rapidly evaluate the quality of Cortex Moutan was established based on Fourier transform near infrared diffuse technology. The NIR spectra were collected in diffuse reflection mode and pretreated with various spectra preprocessing methods. The clustering analysis model was set up to identify the origin of samples; the results prove that the model has good predictive ability. The quantitative models for the simultaneous determination of paeonol and paeoniflorin were established with partial least squares (PLS) algorithm. The performances of the models were evaluated by the root mean square of cross-validation (RMSECV), the determination coefficient (R2) of the calibration model and the root mean square error of prediction (RMSEP). The RMSECVs of paeonol and paeoniflorin are0.0493,0.0328mg/g. respectively, the corresponding RMSEPs are0.0662,0.0416mg/g, successively, and the R-of three calibration models are0.9807,0.9957, respectively. The results show that NIR method used for the quality detection of Cortex Moutan has high accuracy and could be used in the fast detection of the quality of the traditional Chinese medicine.3. Application study on qualitative identification of origins of Galla chinensis using near infrared diffuse reflection spectroscopyA method for the qualitative identification of origins of Galla chinensis was established by near infrared diffuse reflection spectroscopy technology. The near infrared diffuse reflection spectroscopy of Galla chinensis from seven origins were collected and were preprocessed though vector normalization. A standard method was used to calculate the spectral distance between the samples. The cluster analysis mode’ and discriminant analysis model were established, respectively, the pattern recognition performance of which were validated by the unknown samples. The results showed that the sample could be identified correctly by the two models.4. The application on the simultaneous determination of muticomponent and rapid qualitative identification of Zhizijinhua pills by near infrared diffuse reflection spectroscopyA rapid near infrared spectroscopy (NIRS) was established to identify the quality of Zhizijinhua pills from different manufactures and quantitatively predict the content of main active components. The standard values of Chlorogenic acid, geniposide and baicalin were synchronously determined by high-performance liquid chromatography-UV detection (HPLC-UV). The NIR spectra were collected in diffuse reflection mode and pretreated with various spectra preprocessing methods. The clustering analysis model was set up to identify the quality of samples; the experiment proves that the model has good predictive ability, and its accuracy up to100%. The quantitative models for the simultaneous determination of three active ingredients were established with partial least squares (PLS) algorithm and evaluated by the determination coefficient (R2) of the calibration model, the root mean square of cross-validation (RMSECV) and the root mean square error of prediction (RMSEP). The RMSECVs of chlorogenic acid, geniposide and baicalin are0.062.0.583and0.761mg/g, respectively, the corresponding RMSEPs are0.0701.0.533, and0.699mg/g, respectively, and the R-of three calibration models are0.982,0.967and0.997, successively. The results prove that NIR method used for the qualitative and quantitative analysis of Zhizijinhua pills has high accuracy and can meet the fast and convenient need for the quality testing of Chinese medicine drugs preparations.5. Applied research on rapid analysis of the quality of Xiaoer Qingre Zhike oral liquid by near infrared spectroscopyA new method to rapidly identify and determine the active components in Xiaoer Qingre Zhike oral liquid by near infrared spectroscopy (NIRS) with transmission measurement was developed. The clustering analysis model was used to identify the oral liquid brand, and nine kinds of the brand of Xiaoer Qingre Zhike oral liquid could be accurately identified. The quantitative models were established with partial least square (PLS) regression to synchronously determine the content of baicalin and glycyrrhizic acid in Xiaoer Qingre Zhike oral liquid. The quantitative prediction model with baicalin and glycyrrhizic acid as the index components showed good performance. The correlation coefficients (R2) of the calibration models were94.96,91.86, the roots mean square of cross-validation (RMSECV) were0.104,0.0930, and the root mean square of prediction (RMSEP) were0.124,0.0699, respectively. The results prove that near infrared spectra method used for the qualitative and quantitative analysis of Xiaoer Qingre Zhike oral liquid has high accuracy and can meet the precision need for the quality testing of the oral liquid.