Chemometric Processing of Ion Chromatograms – Application to Comparative Analysis of Polish Bottled Mineral and Spring Waters
Eliza Blicharska1, Łukasz Komsta2, Ryszard Kocjan1, Anna Gumieniczek2, Agnieszka Wiśniewska1
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1Department of Analytical Chemistry, Medical University of Lublin, Staszica 6, 20-081 Lublin, Poland
2Department of Medicinal Chemistry, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland
Pol. J. Environ. Stud. 2010;19(5):1071-1075
The fingerprinting concept that treats a chromatogram as a unique signal without peak identifying has been used in chromatographic comparative analysis. So far, no such approaches of ion chromatography have been published. Therefore, the aim of our work was to perform ion chromatographic analysis of five metals: Fe(III), Cu(II), Ni(II), Zn(II), and Mn(II) in 30 bottled mineral and spring waters available in the Polish market. The fingerprinting approach performed well and its main advantage is no need to perform the calibration procedure of each chromatographed ion. By investiging loadings, intercorrelated and orthogonal peaks were identified. We discuss the chemometric steps needed before comparison: smoothing, baseline removal, and warping.
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