多种红外光谱校正法的两面针产地鉴别研究  

Calibration Methods of Infrared Spectra for Geographical Origins Determination of Radix Zanthoxyli

作　　者：黄庶识[1] 李自达[1,2] 毛晓丽[1,3] 郑娟梅[1,3] 刘军贤[2] 黄荣韶[4] 

机构地区：[1]广西科学院生物物理实验室,广西南宁530007 [2]广西师范大学物理科学与技术学院,广西桂林541004 [3]广西中医学院,广西南宁530001 [4]广西大学农学院,广西南宁530005

出　　处：《光谱学与光谱分析》2012年第2期364-369,共6页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(30760302);广西科学研究与技术开发计划项目(0992003A-20;0992003A-21)资助

摘　　要：由于红外光谱数据采集受仪器状态和实验环境的制约,影响对样品的正确识别。基于傅里叶变换红外光谱(FTIR)技术,用多种方法对两面针的红外光谱数据进行校正后,利用SIMCA法建立鉴别模型;分别对广西区内四个产地的两面针进行鉴别,通过比较分析以获得最适合建立两面针产地鉴别模型的光谱数据校正方法。结果显示,经多元散射校正和标准正态变换后,它们的PCA数据分布,以及产地分类模型之间的距离,都表明这两种校正方法在消除环境和人为因素的干扰的同时,能够很好的分离各个产地的样本,在对实际的样本识别中,其识别率和拒绝率均达到或接近100%。可见,多元散射校正和标准正态变换,均是两面针产地模型鉴别研究的理想校正方法。The instrument and the experimental environment influence the infrared spectra,which may limited the identification of the samples by a prediction model.Based on the Fourier transform infrared spectroscopy（FTIR） technology,the authors performed different infrared spectral calibration methods for Radix Zanthoxyli geographical origins determination,the SIMCA was used to establish an identification models,and the model was used to distinguish samples from four different regions of Guangxi.According to the result of prediction,the authors could obtain the most suitable calibration method for the identification model.The results showed that,respectively,by the multiple scattering correction and standard normal variation,their PCA data distribution and the distance between models is ideal,suggesting that we can eliminate the interference from the environmental and human factors by these two correction methods,and also separate each samples of different habitats.The test using the method to measure the geographical origins of Radix Zanthoxyli proved that the recognition rate and rejection rate are both at or near 100%.Visible,and both the multiplicative scatter correction and the standard normal variation are all the ideal calibration methods for Radix Zanthoxyli infrared spectral geographical origins determination.

关 键 词：红外光谱 数据校正 两面针 SIMCA 

分 类 号：O657.33[理学—分析化学] R282.5[理学—化学]