偏最小二乘法(PLS)及其在分析化学中的应用

PARTIAL LEAST SQUARES METHOD(PLS)AND ITS APPLICATION IN ANALYTICAL CHEMISTRY

本文介绍了一种性能优于其他多元统计方法的新的多元校准法——偏最小二乘法(PLS),研究了其理论基础、算法和性能,评述了其在吸收光谱分析、荧光分光光度分析、ICP—AES、色谱分析、核磁共振谱分析、生物化学、产品质量预测、毒理学、环境化学和地球化学研究等方面的应用以及应用发展动向。引用文献58篇。

A new multivariate calibration method—partial least squares method (PLS) superior to other multivariate statistical methods in performance is presented involving its theoretical basis, algorithm and performance. Its application in absorption spectrometry, fluorescence spectrophotometry, ICP-AES, chromatographic analysis, nuclear magnetic resonance spectrometry, biochemical analysis, prediction of quality of products, research of toxicology, environmental chemistry and geochemistry etc. and tendency of application development are reviewed. 58 references are cited.