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
相关论文
共 43 条
  • [1] [Anonymous], 1988, J CHEMOM, DOI DOI 10.1002/CEM.1180020203
  • [2] [Anonymous], 1989, MULTIVARIATE CALIBRA
  • [3] [Anonymous], 1993, MARTINDALE EXTRA PHA
  • [4] Genetic algorithm-based method for selecting wavelengths and model size for use with partial least-squares regression: Application to near-infrared spectroscopy
    Bangalore, AS
    Shaffer, RE
    Small, GW
    Arnold, MA
    [J]. ANALYTICAL CHEMISTRY, 1996, 68 (23) : 4200 - 4212
  • [5] An enhanced algorithm for linear multivariate calibration
    Berger, AJ
    Koo, TW
    Itzkan, I
    Feld, MS
    [J]. ANALYTICAL CHEMISTRY, 1998, 70 (03) : 623 - 627
  • [6] Quantitation of the active compound and major excipients in a pharmaceutical formulation by near infrared diffuse reflectance spectroscopy with fibre optical probe
    Blanco, M
    Coello, J
    Iturriaga, H
    Maspoch, S
    delaPezuela, C
    [J]. ANALYTICA CHIMICA ACTA, 1996, 333 (1-2) : 147 - 156
  • [7] Partial least-squares regression for the quantitation of pharmaceutical dosages in control analyses
    Blanco, M
    Coello, J
    Elaamrani, M
    Iturriaga, H
    Maspoch, S
    [J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 1996, 15 (03) : 329 - 338
  • [8] UV-spectrophotometric determination of ketoprofen and paraben in a gel preparation by partial least-squares calibration
    Blanco, M
    Coello, J
    Iturriaga, H
    Maspoch, S
    AlaouiIsmaili, S
    [J]. FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY, 1997, 357 (07): : 967 - 972
  • [9] Elimination of uninformative variables for multivariate calibration
    Centner, V
    Massart, DL
    deNoord, OE
    deJong, S
    Vandeginste, BM
    Sterna, C
    [J]. ANALYTICAL CHEMISTRY, 1996, 68 (21) : 3851 - 3858
  • [10] METHOD FOR SELECTION OF OPTIMUM WAVELENGTHS FOR MULTICOMPONENT SPECTROPHOTOMETRIC DETERMINATIONS
    COSTADINNOVA, L
    NEDELTCHEVA, T
    [J]. ANALYST, 1995, 120 (08) : 2217 - 2220