Figure 2.

Chemometric analysis by principle component analysis (PCA). The score (a) and loading (b) plots from pattern recognition (PCA) of the whole spectra and the score (c) and loading (d) plots from pattern recognition (PCA) of targeted molecules. Overall, the score plot can successfully discriminate all 4 groups. Data are unit-variance scaled. Loading plot shows the molecules contributing to the separation (n = 5). Asparagine and glutamate are the markers that separate DBT from other samples.