inclusion complex

This study explores the effectiveness of β-cyclodextrin (β-CD) as a carrier for essential oils (EOs), specifically d-limonene, and eugenol, within biodegradable delivery systems. Inclusion complexes were prepared via coprecipitation and analyzed using Fourier-transform infrared spectroscopy. FTIR analysis confirmed the encapsulation, indicated by the shift in the O-H stretching vibrations of β-CD and a reduction in the intensity of the C-H stretching vibrations of d-limonene, which suggests successful molecular inclusion.

Studies of cyclodextrin chemistry using quantum chemical methods are mainly adopted to investigate the formation of the inclusion complex causing changes in the physicochemical properties of the cyclodextrin guest. In this paper, we conducted a computational modeling study of the inclusion complexes of β-cyclodextrin (β-CD) with m-Methyl Red (m-MR) by using parametric method 6 (PM6), the semi empirical molecular orbital calculations and the natural bond orbital method (NBO).