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近红外光谱技术用于复杂植物样品中无机离子测定的新方法
引用本文:王国庆,王芳,陈达,苏庆德,邵学广.近红外光谱技术用于复杂植物样品中无机离子测定的新方法[J].光谱学与光谱分析,2004,24(12):1540-1542.
作者姓名:王国庆  王芳  陈达  苏庆德  邵学广
作者单位:中国科学技术大学化学系,安徽,合肥,230026
基金项目:国家教育部高等学校优秀青年教师教学科研奖励计划项目,国家烟草专卖局项目 (1 1 0 2 0 0 1 0 1 0 4 2 )资助
摘    要:植物样品中的无机离子以一定形式与具有近红外吸收的有机基团结合,因而可以借助近红外光谱技术测定其含量。对烟草样品近红外光谱数据及其小波变换处理后的小波系数,采用偏最小二乘法预测其中钾离子的含量,建立了小波变换与近红外光谱技术结合用于复杂植物样品中无机离子测定的新方法。结果表明:近红外光谱数据压缩为原始大小的3.3%,基本上没有光谱信息的丢失;基于小波系数的模型优于传统的全谱模型,对于无机离子的测定可以取得较为准确的预测结果。

关 键 词:近红外光谱  无机离子  小波变换  偏最小二乘法  烟草
文章编号:1000-0593(2004)12-1540-03
修稿时间:2003年8月26日

A Novel Method for the Determination of Inorganic Ions in Complex Plant Samples by Near Infrared Spectroscopy
WANG Guo-qing,WANG Fang,CHEN Da,SU Qing-de,SHAO Xue-guang.A Novel Method for the Determination of Inorganic Ions in Complex Plant Samples by Near Infrared Spectroscopy[J].Spectroscopy and Spectral Analysis,2004,24(12):1540-1542.
Authors:WANG Guo-qing  WANG Fang  CHEN Da  SU Qing-de  SHAO Xue-guang
Institution:Department of Chemistry, University of Science and Technology of China, Hefei 230026, China.
Abstract:Inorganic ions in plant samples can be determined by near-infrared (NIR) spectral technique, because they are combined with organic groups with NIR absorption. A method for the determination of inorganic ions in complex plant samples was established based on the combination of discrete wavelet transform (DWT) and NIR technique. In the proposed method, the raw NIR data and their wavelet coefficients are used for modeling and prediction of the contents of potassium in tobaccos by partial least square method (PLS). It is shown that there is almost no loss of spectral information with the NIR data compressed to 3.3% of its original size. The model based on wavelet coefficients is better than that based on the full NIR spectral range. With the improved method, accurate prediction can be achieved.
Keywords:Near-infrared spectroscopy  Inorganic ion  Wavelet transform  Partial least squares  Tobacco
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