Rapid Quantitative Analysis Of Shikimic Acid In Illicium Verum Hook. F. Using Near Infrared Spectroscopy

With the rapid development of computation technique and chemometrics, the analytical problems which are aroused by the poor effected information in the near infrared spectroscopy (NIRS), difficulties for regression because of overlapped and conlinear spectra have been solved. Near infrared spectroscopy has become one of the rapid developments and most mentioned analytical technologies in this century. In this paper, partial least squares (PLS) combined with NIRS analysis method was applied to establishing models for quantitative analysis of rudimental shikimic acid in Illicium verum Hook.f.. The results demonstrated that this method was good at extracting the effect information from the NIR spectra and parsed the problem of overlapped and conlinear spectra. With its advantages of no pretreatment, no pollution, facility, non-destructibility and online measurement, it has been taken as an appealing tool for solving all sorts of analytical problems.The application of near infrared spectra technique with partial least squares regression in determining the contents of rudimental shikimic acid in Illicium verum Hook.f.: Applied data pretreatment approaches including Savitzky-Golay smoothing, Fast Fourier Transfer(FFT), first derivative, second derivative and standard normal conversion. NIRS-PLS models were got for quantitative analysis of rudimental shikimic acid in Illicium verum Hook.f.. The number of latent variables of the model was selected depending on Da and root mean squares error of calibration set (RMSEC), and then, the optimum models were selected according as according as RMSECV, the correlation coefficient between the precicted values by cross-validation and actual values (Rv), root mean squares error of calibration set (RMSEC), the correlation coefficient between the precicted values and actual values (Rc)and the root mean square error of predictive set (RMSEP). Finally, the optimum quantitative analysis model was choosed according considering all above index The optimum model that for determining the content of rudimental shikimic acid in Illicium verum Hook.f. applied the FFT spectra with the region of 1356~1384 nm and 1526~1571nm, wavelength variable is 70 totally, the number of latent variables is 4. its RMSEC were 0.308, RMSEP were 0.297, Da were 1.589, Rcc were 0.9179, Rpvwere 0.9087.. These results indicate that the forecast function of this method is good. It is one kind of new detection method of traditional Chinese medicine. It has great application foreground.In this paper, I studied on applying the NIR spectra to predict the contents of the rudimental shikimic acid in Illicium verum Hook.f. and Uesing PLS in the quantitiative NIR analysis of Chinese traditional medicine. In view of the limited job of this paper, it is feasible that using near infrared spectroscopy combined with PLS in fast quantitative analysis and control of Chinese traditional medicine. This method has practical value.