A DFT study of inclusion complexes of the antituberculosis drugs pyrazinamide and isoniazid with cucurbit[7]uril

A photoactive system, (2E)-3-{3-(Z)-naphthalen-1-yldiazenyl] phenyl} prop-2-enoic acid, was synthesized and incorporated on to beta-cyclodextrin (β-CD) core through esterification of the hydroxyl groups of β-CD with the free carboxyl moiety of the chromophoric system by DCC coupling. The silver nanoparticle was synthesized by the reduction reaction executed on silver acetate in presence of dodecyl amine. The silver nano particles were dispersed in β-CD aggregates modified with photoactive system by phase transfer mechanism. The products were characterized by elemental analysis, melting point determination, UV–visible, FT-IR and NMR (¹H and ¹³C) spectral methods and SEM and TGA-DTG thermal studies. The thermal studies shows that the silver nanoparticle dispersed functionally modified beta cyclodextrin exhibited enhanced thermal stability compared to the functionalised β-CD.