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Keyword Author: benzoic acids

Structures of inclusion complexes of halogenbenzoic acids and alpha-cyclodextrin based on AM1 calculations

Semi-empirical quantum mechanics calculations using AM1 (Austin Method 1) were carried out for various host-guest combinations of alpha-cyclodextrin and mono-halogen benzoic acids. The energetically favorable inclusion structures were identified. The AM1 results show that alpha-cyclodextrin complexes with mono-halogen benzoic acid acids (where the halogen is chlorine, bromide, iodine) as guest compounds are more stable in …

Structures of inclusion complexes of halogenbenzoic acids and alpha-cyclodextrin based on AM1 calculations Read More »

Comparison of association constants of cyclodextrins and their tert-butyl derivatives with halogenbenzoic acids and acridine derivatives.

Association constants of complexes of a new class of cyclodextrin alkyl derivatives – randomly substituted tert-butyl derivatives (TB-CDs) with complete set of mono-halobenzoic acids and acridine derivatives were measured using capillary electrophoresis and compared with association constants of natural cyclodextrins. In most cases the association constants of natural cyclodextrin and its corresponding tert-butyl derivative were …

Comparison of association constants of cyclodextrins and their tert-butyl derivatives with halogenbenzoic acids and acridine derivatives. Read More »

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