近红外漫反射光谱法快速测定熊胆粉提取物中熊去氧胆酸和鹅去氧胆酸的含量

Rapid Analysis of Bear Gall Powder Extracts with Near Infrared Diffused Reflectance Spectroscopy

目的针对传统方法分析熊胆粉提取物耗时、费工的缺点,发展了一种利用近红外光谱分析技术进行快速无损检测的方法。方法采集了104份熊胆粉提取物样品的近红外漫反射光谱,以高效液相色谱法测得的熊去氧胆酸和鹅去氧胆酸含量作为参考值,利用偏最小二乘方法建立了定量校正模型。结果所得熊去氧胆酸和鹅去氧胆酸定量校正模型的校正相关系数分别为0.9746和0.9948,校正均方根误差(rootmean square errors of calibration,RMSEC)分别为0.491%和0.189%;内部交叉验证相关系数分别为0.9438和0.9527,内部交叉验证均方根误差分别为0.532%和0.417%;预测相关系数分别为0.9482和0.9685,预测均方根误差分别为0.634%和0.367%。结论结果表明,所建模型具有较为满意的拟合效果和预测能力,本方法准确可靠,操作简便,快速无损,可推广应用于工业分析。

OBJECTIVE To develop a rapid analysis method for determination of bear gall powder extracts with near infrared （NIR） diffused reflectance spectroscopy. METHODS The NIR spectra of 104 samples were collected in diffused reflectance mode. With the contents of ursodesoxycholic acid （UDCA） and chenodeoxycholic acid （CDCA） determined by high performance liquid chromatography as reference value,the quantitative calibration models were established based on Partial least squares （PLS） regression algorithm. RESULTS For the quantitative models,the determination coefficient of UDCA and CDCA in the prediction sets reached 0.948 2 and 0.968 5,respectively. Both models predicted the unknown samples with satisfied accuracy. CONCLUSION This work demonstrated that NIR spectroscopy with PLS algorithm could be used to rapid analyze bear gall powder extracts and can be applied to the industrial application.