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

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.

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

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 (R2) 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 (R2) 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.