The global electrophilicity index that incorporates electrostatic and polarizability contributions shows a quantitative correlation with antiviral and cytotoxic activities of electrophilic sugars. The model is applied to ...

A density functional theory (DFT) study aimed at understanding structure-reactivity relationships in the oxidized metabolites of cyclopenta-fused polycyclic aromatic hydrocarbons (CP-PAHs) is reported. Epoxidation at various ...