title: Simultaneous determination of traces amounts of cadmium, zinc, and cobalt based on UV-Vis spectrometry combined with wavelength selection and partial least squares regression.
abstract: 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.
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, PR China.
authors.forename: Deng
authors.initials: D
authors.lastname: Xu
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, PR China.
authors.forename: Wei
authors.initials: W
authors.lastname: Fan
authors.affiliation: Hunan Food Test and Analysis Center, Changsha 410125, PR China.
authors.forename: Huiying
authors.initials: H
authors.lastname: Lv
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, PR China. Electronic address: yizeng_liang@263.net.
authors.forename: Yizeng
authors.initials: Y
authors.lastname: Liang
authors.affiliation: Hunan Food Test and Analysis Center, Changsha 410125, PR China.
authors.forename: Yang
authors.initials: Y
authors.lastname: Shan
authors.affiliation: Shanghai Tobacco Group Co., Ltd., Shanghai 200082, PR China.
authors.forename: Gaoyang
authors.initials: G
authors.lastname: Li
authors.affiliation: Shanghai Tobacco Group Co., Ltd., Shanghai 200082, PR China.
authors.forename: Zhenyu
authors.initials: Z
authors.lastname: Yang
authors.affiliation: Shanghai Tobacco Group Co., Ltd., Shanghai 200082, PR China.
authors.forename: Ling
authors.initials: L
authors.lastname: Yu
mesh_terms: D001391:Azo Compounds / Q000737:chemistry; D002104:Cadmium / Q000032:analysis*; D003035:Cobalt / Q000032:analysis*; D056831:Coordination Complexes / Q000737:chemistry; D016018:Least-Squares Analysis; D013056:Spectrophotometry, Ultraviolet / Q000379:methods; D015032:Zinc / Q000032:analysis*
chemical_list: D001391:Azo Compounds; D056831:Coordination Complexes; D002104:Cadmium; C037882:2-(5-bromo-2-pyridylazo)-5-diethylaminophenol; D003035:Cobalt; D015032:Zinc
keywords: Cadmium; Cobalt; Competitive adaptive reweighted sampling (CARS); Partial least squares regression (PLS); UV–Vis spectrometry; Zinc