Application of benchtop total-reflection X-ray fluorescence spectrometry and chemometrics in classification of origin and type of Croatian wines

Food Chem X. 2022 Jan 10:13:100209. doi: 10.1016/j.fochx.2022.100209. eCollection 2022 Mar 30.

Abstract

The contents of selected metals (K, Ca, Fe, Cu, Zn, Mn, Sr, Rb, Ba, Pb, Ni, Cr and V) in 70 wine samples from Continental and Adriatic part of Croatia and different types of wine (red and white) were determined by TXRF. The aim of this study was to compare the elemental composition of wines from two different regions and to determine the discriminant ability of each variable and to indicate which variables discriminate between the four categories considered. Principal component analysis and cluster analysis showed that K, Mn, Ba and Ni can be considered as the most important characteristics to distinguish between Continental red and white wines, Rb, Ni and Ba for Continental red and Adriatic red wines while Sr is the only metal that completely distinguishes the samples of each category. Finally, linear discriminant analysis showed good recognition (100%) and prediction abilities (96.43%) using these selected elements.

Keywords: Elemental composition; Multivariate characterization; TXRF; Wine.