Wavelength selection by net analyte signals calculated with multivariate factor-based hybrid linear analysis (HLA). A theoretical and experimental comparison with partial least-squares (PLS)

被引:78
作者
Goicoechea, HC
Olivieri, AC
机构
[1] Univ Nacl Rosario, Fac Ciencias Bioquim & Farmaceut, Dept Quim Analit, RA-2000 Rosario, Argentina
[2] Univ Nacl Litoral, Fac Bioquim & Ciencias Biol, Dept Quim, RA-3000 Paraje El Pozo, Santa Fe, Argentina
关键词
D O I
10.1039/a900325h
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
A wavelength selection procedure is presented for the recently introduced factor-based multivariate calibration technique of hybrid linear analysis (HLA). It involves the calculation of the net analyte signal regression plot (NASRP) for each test sample, combined with a moving window strategy. A search for the minimum error indicator (EI) is performed using the first significant factors of a data matrix from which the contribution of the analyte of interest has been removed. HLA uses less factors than both principal component regression (PCR) and partial least-squares (PLS), and is simpler to adapt to the NASRP methodology. The ability of the method to select wavelength regions that minimize the effect of non-modeled interferences is illustrated both with simulated examples and with experimental bromhexine-containing cough suppressant syrup samples.
引用
收藏
页码:725 / 731
页数:7
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