Prediction of UV Absorption Spectra of Vegetable Drugs and Its Potential Application / 中国药房

ABSTRACT

OBJECTIVE:To evaluate the possibility of detecting the chemicals illegally mixed in the vegetable drugs by ultraviolet spectrophotometry(UV).METHODS:The theoretical spectral absorption of Decoction of four drugs and Rhei and Aconiti praeparatae decoction were respectively defined as the weighted average of the spectral data of their respective prescription ingredients from ultraviolet scanning.Pearson's R values and the similarity between theoretical and actual spectra of the vegetable drugs were obtained with weighted correlation analysis(based on the correlation analysis,with larger weighted value around the peaks and valleys of UV absorption spectrum arranged).RESULTS:The similarity between theoretical and actual UV absorption spectra of the vegetable drugs was high with Pearson's R=0.98～0.999 5.CONCLUSION:The results show that UV absorption spectra of vegetable drugs can be exactly predicted by their prescription ingredients.It is possible to use the similarity between theoretical and actual spectra of vegetable drug to detect the chemicals illegally mixed because in such case it might lead to UV spectra change.