近红外光谱法结合支持向量机测定天然牛黄粉中人工牛黄的掺入量  

Determination of the Artificial Bezoar Powder in Bezoar Powder by Near-Infrared Spectrometry and Support Vector Machine

作　　者：马群[1] 郝贵奇[2] 乔延江[1] 张卓勇[2] 张孝芳[2] 

机构地区：[1]北京中医药大学中药学院 [2]首都师范大学化学系,北京100037

出　　处：《光谱学与光谱分析》2006年第10期1842-1845,共4页Spectroscopy and Spectral Analysis

基　　金：北京市科技发展项目(H040230130710)资助

摘　　要：提出了应用近红外漫反射光谱技术结合支持向量机测定天然牛黄粉中人工牛黄的含量的方法。以傅里叶变换近红外光谱仪（4000～10000cm^-1）为试验仪器，以含有不等量人工牛黄的天然牛黄粉（天然牛黄的质量分数范围为0％～100%）作为校正样品，对光谱数据进行平滑、求导和小波压缩，结合支持向量饥，建立了测定天然牛黄粉中人工牛黄含量的模型。试验结果为：预测相对误差的平方和可达0．00135。研究表明：近红外漫反射光谱法结合支持向量机可以测定天然牛黄粉中人工牛黄的掺人量，结果可靠，可用于天然牛黄粉的质量控制。A method for determining the artificial bezoar powder in bezoar powder using near-infrared（NIR） diffuse reflectance spectrometry was proposed in the present paper. The method was based on support vector machine （SVM）. The calibration set was set up by adding unequal artificial bezoar powder to the bezoar powder （content range： 0%-100% ） and collecting the NIR spectrum of the samples in the wave number range of 4 000-10 000 cm^-1. The processing algorithm was wavelet transform with first and second derivatives. A mathematical model with support vector machine was established. The model was checked with leave one method. The sum of the square of the relative prediction error was 0. 001 35. This method is reliable and can be used to control the quality of bezoar powder.

关 键 词：近红外漫反射 支持向量机 天然牛黄 人工牛黄 

分 类 号：O657.3[理学—分析化学]