Résumé
Objective: To established a rapid nondestructive determination method for the multi-marker constituents in Angelica sinensis by near infrared spectroscopy (NIRS) combined with the partial least squares (PLS) method in order to improve the quality control for A. sinensis. Methods: A total of 108 batches of A. sinensis from different origins were collected for the research. An Ultra performance liquid chromatography (UPLC) method was established to measure the content of the seven components in A. sinensis, which were adopted as the reference value. And the integrating sphere diffuse reflection mode was employed to collect the NIR spectrum. The quantitative calibration model between the near infrared spectrum and the reference content of each component to be measured was established by PLS and other chemometrics methods. Each part of the modeling process was optimized respectively, including the selection of calibration set and validation set, different pretreatment methods and different spectral section. Results: The correlation coefficient for calibration set of chlorogenic acid, ferulic acid, isochlorogenic acid A, ligustilide, butylidenephthalide, senkyunolide I and levistilide A were 0.937 6, 0.970 2, 0.963 4, 0.991 1, 0.962 4, 0.966 6 and 0.947 6, respectively; The root mean square error of prediction (RMSEP) were 0.072 1, 0.038 9, 0.011 3, 0.483 0, 0.017 5, 0.178 0 and 0.097 0, respectively. The predicted values of NIRS models and the measured values of UPLC showed a good linear relation, which presented a great prediction ability of the models. Conclusion: The methods of NIRS combined with PLS can be applied for the rapid content determination of seven components in A. sinensis including chlorogenic acid, ferulic acid, isochlorogenic acid A, ligustilide, butylidenephthalide, senkyunolide I and levistilide A, which is proved to be simple and reliable.
Résumé
Objective To establish a rapid and nondestructive method for the determination of multi-components in Salvia miltiorrhiza to improve the quality control of S. miltiorrhiza based on Near infrared spectroscopy combined with partial least squares (PLS) method. Methods A total of 106 batches of S. miltiorrhiza samples from different origins were collected. The content of 11 components (tanshinol sodium, protocatechuic aldehyde, caffeic acid, rosmarinic acid, alkannic acid, salvianolic acid B, salvianolic acid A, dihydrotanshinone, tanshinone I, cryptotanshinone, and tanshinone IIA) in all of the samples which was conducted as the reference value were determined by a UPLC method established in the previous research. And the NIRS spectrum were obtained under the integrating sphere diffuse reflection mode. The different processes of modeling were optimized by partial least squares (PLS) and other chemometrics methods, including the selection of calibration set and validation set, different pretreatment method, different spectral section, and the determination of factors. A linear quantitative calibration model between the near infrared spectrum and the content of the components to be measured was tried to be established so that the content of the components could be measured by NIRS rapidly. Results The predicted value of NIRS and the measured value of UPLC of five components in S. miltiorrhiza, including salvianolic acid B, dihydrotanshinone, tanshinone I, cryptotanshinone, and tanshinone IIA, presented a good linearity, indicating the calibration models had a preferable forecast results. The correlation coefficient were 0.981 1, 0.936 3, 0.960 5, 0.910 9, 0.978 0 respectively, and the mean and square deviation of the prediction set (RMSEP) were 0.957 0, 0.037 7, 0.041 6, 0.114, 0.063 9, respectively; But the model of the other constituents failed to reach the quantitative level. Conclusion The content of salvianolic acid B, dihydrotanshinone, tanshinone I, cryptotanshinone, tanshinone IIA in S. miltiorrhiza can be determined rapidly and nondestructive by the NIRS combined with PLS method, which lays a foundation for the rapid and field determination method for the medicinal materials and decoction pieces of S. miltiorrhiza.