Experimental and Theoretical Study on the Inclusion Compounds of Aroma Components with β-Cyclodextrins

Abstract

Inclusion equilibria between four aroma components suspected to be allergen and various β-cyclodextrins were investigated. The association constants of inclusion complexes were measured in aqueous solution by UV/VIS spectroscopy by competition method with methyl orange and direct titration. The data indicated the formation of 1:1 inclusion compounds. In addition, a theoretical study using MM3 force field was conducted and the computed formation energy, e.g. the stability of the complexes, were in good agreement with the calculated formation constants.