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EN
Hydrophilic and hydrophobic cyclodextrins (CDs) have found a lot of applications in medicine pharmacology, food processing and cosmetology. They can function as a drug carrier material and parent host molecules, increasing drug biocompatibility, optimizing the efficiency of drug activity, and controlling drug release at the desired level. The effectiveness of CD complexation depends on many factors such as the type and the size of both the CD molecule itself and the guest molecule, pH of the solution, and temperature. In aqueous solution of glucose the aggregation of molecules can occur leading to the formation of CD-like structures. In the paper the possibility of the formation of the inclusion complexes of CD and glucose with Nimodipine was investigated with the aid of ultrasonic spectroscopy. By comparing the efficiency of industrial saccharides and glucose in the formation of the inclusion complexes the cost effectiveness of the use of glucose as a substitute for CD can be determined.
EN
Ab initio Hartree-Fock calculations have been carried out in order to get a better understanding of the formation and stability of inclusion and encapsulation complexes. The "electronically inverse" host anions known to encapsulate anionic species are formed in solution by means of a template mechanism that tends to maximize the electrostatic potential at the place of the guest anion. A correlation is provided between the topology of the host and its Molecular Electrostatic Potential (MEP) distribution that explains from simple geometric considerations the differences between electronically normal and electronically inverse hosts, and shows that the host cage tends to get adapted not only to the shape of the guest molecule, but also to its electrostatic potential distribution.
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