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中成药紫外吸收光谱的预测及其潜在应用 被引量:2

Prediction of UV Absorption Spectra of Vegetable Drugs and Its Potential Application
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摘要 目的:评估通过紫外吸收(UV)光谱鉴别中药掺西药行为的可行性。方法:分别将处方中各味原药材的UV光谱数据进行加权平均,即可得到四物汤和大黄附子汤的理论UV光谱,然后通过加权相关分析法(以相关分析为基础,在UV光谱的峰和谷附近设置更大的权重)计算理论UV光谱与实测UV光谱的相似度,得出皮尔逊相关系数R(Pearson'sR)。结果:四物汤和大黄附子汤的理论UV光谱和实测UV光谱基本一致,相似度为Pearson'sR=0.98~0.9995。结论:中成药的UV光谱可以被准确预测。由于在中成药中掺入西药有可能导致UV光谱的改变,故通过中成药理论UV光谱与实测UV光谱的相似度有可能检出中药掺西药的行为。 OBJECTIVE: To evaluate the possibility of detecting the chemicals illegally mixed in the vegetable drugs by ultraviolet speetrophotometry(UV) .METHODS: The theoretical spectral absorption of Decoction of four drugs and REel and Aeoniti 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.
作者 莫志江
出处 《中国药房》 CAS CSCD 北大核心 2008年第33期2638-2640,共3页 China Pharmacy
关键词 中成药 紫外吸收光谱 加权相关分析 预测 中药掺西药 Vegetable drugs UV absorption spectrum Weighted correlation analysis Prediction Chinese medicines mixed illegally with chemicals
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