Use of linear discriminant analysis applied to vibrational spectroscopy data to characterize commercial varnishes employed for art purposes

Abstract

An improvement of methodologies for characterising synthetic resins used in varnishes employed for art purposes has been suggested. Several kinds of standard of the most common polymeric resins (acrylic, vinyl, poly(vinyl alcohol), alkyd, cellulose nitrate, latex, polyester, polyurethane, epoxy, organosilicic, and ketonic) were analyzed by Fourier transform infrared (FTIR) spectroscopy. Synthetic resins characterization is based on the mathematical treatment of their whole spectrum, dividing it in 13 sections, avoiding the one-by-one interpretation of the absorption bands. The mathematical model takes as variables the maximal absorbance of each section, and each synthetic standard resin as categories. Two exploratory analysis methods, Hierarchical Clustering and Principal Component Analysis (PCA), and a classificatory chemometric tool, linear discriminant analysis (LDA), are tested, validating the models by leave-one-out method. LDA is proved to be a powerful tool for grouping objects in categories, providing a satisfactory distinction of polymeric resin standards. The described analytical procedure has successfully been applied to characterization of synthetic resins contained in commercial varnishes.