Physicochemical contrivance for exploring host-guest inclusion complex of a significant green solvent with a cyclic oligosaccharide and its innovative application optimized by computational approach.

Our modern study is going to inspect new inclusion phenomena between the 1-butyl-2,3-dimethylimidazolium tetrafluoroborate [Bdmim]BF₄ ionic liquid (IL) and the host α-Cyclodextrin (α-CD) by a 1:1 ratio and newly formed inclusion complex was further explored by the ¹H-NMR, FT-IR, UV–vis spectroscopy, PXRD, DSC, and SEM analysis. Molecular docking was also performed to investigate the encapsulation of the inclusion complex in which orientation and it have been seen that the IL [Bdmim]BF₄ enters into the α-CD cavity with a 1:1 ratio was further established with the help of Job's plot. Furthermore, the antibacterial activity of [Bdmim]BF₄ IL and its inclusion complex was verified against some Gram-positive and Gram-negative bacterial strains. [ABSTRACT FROM AUTHOR]