首页|Encapsulation of Aminopyridines by α- and β-cyclodextrins: Spectral and Theoretical Studies
Encapsulation of Aminopyridines by α- and β-cyclodextrins: Spectral and Theoretical Studies
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The inclusion complexes of 2-aminopyridine (2AP), 3-aminopyridine (3AP) and 4-aminopyridine (4AP) with α-cyclodextrin (α-CD) and β-cyclodextrin (β-CD) have been characterized by SEM, FT-IR and ~1HNMR, UV-Visible, steady-state and time-resolved fluorescence and semi-empirical methods. The binding constant of the inclusion complexes were evaluated from Benesi-Hildebrand plot. Semi-empirical calculation for the geometry of the molecules reveals that all the AP molecules involved in host-guest complex formation with α-CD and β-CD in different configurations. To find the most favorable structure, the geometry of complex was investigated by molecular modeling approach employing the semi-empirical PM3 calculations.