ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Classification and authentication of Slovak varietal wines by attenuated total reflectance Fourier-transform infrared spectrometry and multidimensional data analysis

Dasa Kruzlicova and Silvia Gruberova

Department of Pharmaceutical Analysis and Nuclear Pharmacy, Faculty of Pharmacy of Comenius University, Bratislava, Slovakia

E-mail: kruzlicova@fpharm.uniba.sk

Received: 27 August 2021  Accepted: 23 December 2021

Abstract:

Attenuated total reflectance Fourier-transform infrared spectrometry (ATR FTIR) was applied for the determination of the content in wines without the use of complicated sample preparation. This simple and rapid approach was suitable for the characterization of twelve Slovak varietal wines with a protected designation of origin (PDO). Middle infrared region 4000—600 cm⁻¹ was used for further processing by methods of multidimensional data analysis, namely principal component analysis (PCA) and linear discriminant analysis (LDA). PCA was applied for the effective reduction of the original number of input wavenumbers as well as for the identification of important variables. The goal of the discriminant analysis was to achieve maximal discrimination among the wine categories. Its task was to create a discriminant model from the original variables capable to categorize the unlabeled wines into predefined groups with the classifier. After it, the ATR FTIR analysis together with the chemometric approach proved to be a powerful tool for discrimination of wine categories and for evaluation of the authenticity.

Keywords: Wine classification; Wine authentication; Fourier-transform infrared spectrometry; Variable selection; Linear discriminant analysis

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-021-02041-8

Chemical Papers 76 (4) 2385–2396 (2022)