Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 123, Issue -, Pages 430-435Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2013.12.086
Keywords
UV-Vis spectrometry; Competitive adaptive reweighted sampling (CARS); Partial least squares regression (PLS); Cadmium; Zinc; Cobalt
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Funding
- Natural Science Foundation of China [21275164, 21075138, 20975115]
- International Cooperation Project on Traditional Chinese Medicines of Ministry of Science and Technology of China [2007DFA40680]
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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.
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