近红外漫反射光谱法测定天然牛黄粉中人工牛黄粉的掺入量

Determination of the Artificial Bezoar Powder in the Bezoar Powder by Near-infrared Diffuse Reflectance Spectrometry

目的:采用近红外漫反射光谱技术,建立一种快速测定天然牛黄粉中人工牛黄粉掺入量的方法.方法:在天然牛黄粉中掺入不等量人工牛黄粉(质量百分数范围为0%～100%),采集近红外光谱,建立校正样品集与测试样品集,运用偏最小二乘法建立数学模型,对测试集进行预测.结果:校正样品集的最佳主成分数(Rank)=7,内部交叉验证均方差(RMSECV)＝1.93,决定系数(R2)＝99.42;测试样品集的预测误差均方差(RMSEP)＝0.797,决定系数(R2)＝99.9,评估均方差(RMSEE)＝2.07.结论:近红外漫反射光谱测定天然牛黄粉中人工牛黄粉的掺入量结果可靠,可用于天然牛黄粉的质量控制.

Objective:To establish a method determinating the artificial bezoar powder in the bezoar powder by near infrared diffuse reflectance spectrometry. Methods: The calibration set and the test set were set up by adding unequal artificial bezoar powder to the bezoar powder (content range:0%～100%), collecting the NIR spectrum of the samples. A mathematical model with partial least squares (PLS) was established to predict the test set Results:The coefficients of determination (R 2) is 99 42 and the relative mean prediction error (RMSECV) is 1 93 respectively for the internal cross validation set obtained The coefficients of determination (R 2) is 99 9 and the relative mean standard error prediction (RMSEP) is 0 797,respectively for the test set obtained The correlation coefficient between true and prediction is 0 9972 Conclusion∶This method is reliable and can be used to control the quality of preparations of bezoar powder.