Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) of determinants in positive and negative ionization mode.

A) Scores plot obtained from OPLS-DA model of T1 and T2 in positive ionization mode shows inter-group separation B) OPLS-DA loadings S-plot comparing features from T1 and T2 in positive ionization mode. C) Score plot obtained from OPLS-DA model of T1 and T2 in negative ionization mode shows inter-group separation. D) OPLS-DA loadings S-plot comparing features from t1 and t2 in negative ionization mode. Each spot in S-plot corresponds to a feature with characteristic m/z ratio and retention time. The metabolites marked in red were treated as putative bio-markers for the therapy and characterized later.