Chemometrics: An important tool for the modern chemist, an example from wood-processing chemistry

This study briefly outlines the idea of principal component analysis and cr oss-correlation calculations (applied chemometrics) and presents an illustr ative example from wood-processing chemistry. The applicability of chemomet ric data analysis was demonstrated by investigating the various structural changes that take place in dissolved and degraded lignin ("kraft lignin") d uring laboratory-scale kraft pulping of Scots pine (Pinus sylvestris) and s ilver birch (Betula pendula). The structural data (P-31 NMR and size exclus ion chromatographic data) on kraft lignin were further processed by chemome tric multivariate techniques (PCA and 2DCC), confirming, for example, that the cleavage of beta-aryl ether structures, the most prominent linkages bet ween monomeric units. is directly related to the decrease in the average mo lecular mass of lignin.