近红外漫反射光谱快速测定山茱萸醇提物马钱苷和熊果酸含量方法

Development of a near-infrared diffuse method for rapid detemination of astilbin and ursolic acid in alcohol extract from cornus fficinalis

目的应用近红外漫反射技术和化学计量学的方法对山茱萸醇提物马钱苷和熊果酸进行定量分析。方法通过偏最小二乘法建立数学模型,对预测集进行预测,并对实际样品的含量进行测定。结果 36个样品经内部交叉验证建立预测模型,马钱苷和熊果酸内部交叉验证的均方差MSECV=0.393和0.043。用8个验证样品进行外部验证,预测值与真实值的相关系数R2=98.4%和98.9%,RMSEP=0.239和0.0392。方法重现性RSD=0.8%&0.6%(n=5),方法稳定性RSD=0.4%&0.7%(n=3)。结论本方法快速简便,结果准确,适用于涉及企业的药品进行快速检查或质量控制。

Aim To apply near infrared diffuse reflectance spectrophotometry（NIRDRS）and chemometrics to the quantitative analysis of Cornus fficinalis.Methods Partial least squares（PLS）regression models were set up using a calibration set（36 samples）.The validation set was set up by 8 samples.This method was applied to predict the validation set and detect the samples.Results The determination coefficients R2 was 98.4% 98.% as indicated from the cross-validation of Astilbin and Ursolic acid,and the true mean predictive error of Root mean square error of cross validation（RMSECV）was 0.393 0.043.The correlation coefficient of the true value and prediction value from validation was 98.4% 98.9%.RMSEP were 0.239 and 0.039 2.The reproducibility of method RSD were 0.8% 0.6%（n=5）.The stability of method RSD were 0.4% 0.7%（n=3）.Conclusion NIRDRS method was simple,rapid and accurate.The method could be applied in rapid qualitative and quantitative analysis of drugs of manufacturer.