Simultaneous determination of traces amounts of cadmium, zinc, and cobalt based on UV-Vis spectrometry combined with wavelength selection and partial least squares regression

被引:36
作者
Xu, Deng [1 ]
Fan, Wei [1 ]
Lv, Huiying [2 ]
Liang, Yizeng [1 ]
Shan, Yang [2 ]
Li, Gaoyang [3 ]
Yang, Zhenyu [3 ]
Yu, Ling [3 ]
机构
[1] Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China
[2] Hunan Food Test & Anal Ctr, Changsha 410125, Hunan, Peoples R China
[3] Shanghai Tobacco Grp Co Ltd, Shanghai 200082, Peoples R China
关键词
UV-Vis spectrometry; Competitive adaptive reweighted sampling (CARS); Partial least squares regression (PLS); Cadmium; Zinc; Cobalt; SPECTROPHOTOMETRIC DETERMINATION; VARIABLE SELECTION; INTERVAL SELECTION; RANDOM FROG; ALGORITHM; COPPER;
D O I
10.1016/j.saa.2013.12.086
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
The use of wavelength selection before partial least squares regression (PLSR) for simultaneous determination of divalent metal ions, cadmium, zinc and cobalt by UV-Vis spectrometry was investigated in this paper. The number of wavelengths selected by competitive adaptive reweighted sampling (CARS) for cadmium, zinc, and cobalt were 21, 13 and 7, respectively, from the 916 original wavelength points. The analytical system was based on the formation of the complexes with 2-(5-bromo-2-pyridylazo)-5-(diethylamino)phenol (Br-PADAP) in surfactant media. Compared with the results of full spectra calibration, the root mean squared error of prediction (RMSEP) reduced to 0.0110, 0.0098 and 0.0031 for cadmium, zinc and cobalt, respectively. Moreover, by using the selective wavelengths instead of the 916 original wavelengths, the latent variables of PLS models reduced to 3, 3 and 4. The results indicated that the PLS model established by selected wavelength could be used for simultaneous determination of divalent metal ions. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码:430 / 435
页数:6
相关论文
共 37 条
[1]  
[Anonymous], J ANAL AT SPECTROM
[2]  
[Anonymous], 1992, UV-VIS Spectroscopy and Its Applications
[3]   The successive projections algorithm for variable selection in spectroscopic multicomponent analysis [J].
Araújo, MCU ;
Saldanha, TCB ;
Galvao, RKH ;
Yoneyama, T ;
Chame, HC ;
Visani, V .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2001, 57 (02) :65-73
[4]   ADVANCED ELECTROANALYTICAL TECHNIQUES VERSUS ATOMIC-ABSORPTION SPECTROMETRY, INDUCTIVELY-COUPLED PLASMA-ATOMIC EMISSION-SPECTROMETRY AND INDUCTIVELY-COUPLED PLASMA-MASS SPECTROMETRY IN ENVIRONMENTAL-ANALYSIS [J].
BERSIER, PM ;
HOWELL, J ;
BRUNTLETT, C .
ANALYST, 1994, 119 (02) :219-232
[5]  
Cal W., 2008, CHEMOM INTELL LAB SY, V90, P188
[6]   Elimination of uninformative variables for multivariate calibration [J].
Centner, V ;
Massart, DL ;
deNoord, OE ;
deJong, S ;
Vandeginste, BM ;
Sterna, C .
ANALYTICAL CHEMISTRY, 1996, 68 (21) :3851-3858
[7]   Genetic algorithm-based wavelength selection for the near-infrared determination of glucose in biological matrixes: Initialization strategies and effects of spectral resolution [J].
Ding, Q ;
Small, GW ;
Arnold, MA .
ANALYTICAL CHEMISTRY, 1998, 70 (21) :4472-4479
[8]   Uniform design: Theory and application [J].
Fang, KT ;
Lin, DKJ ;
Winker, P ;
Zhang, Y .
TECHNOMETRICS, 2000, 42 (03) :237-248
[9]   Simultaneous spectrophotometric determination of four metals by two kinds of partial least squares methods [J].
Gao, L ;
Ren, SX .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2005, 61 (13-14) :3013-3019
[10]   PARTIAL LEAST-SQUARES PATH MODELING WITH LATENT-VARIABLES [J].
GERLACH, RW ;
KOWALSKI, BR ;
WOLD, HOA .
ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION, 1979, 3 (04) :417-421