Квантовохімічне дослідження взаємодії левоміцетину з поверхнею кремнезему

The biological activity of D(-)-threo-isomer of levomycetin is connected with presence of hydrogen bonding between hydroxyl groups of its alicyclic form. When grafted on silica surface (via impregnation), levomycetin increases its antimicrobial capability. Adsorption-induced changes in the structure...

Повний опис

Збережено в:
Бібліографічні деталі
Дата:2010
Автори: Kravchenko, A. A., Krupska, T. V., Demianenko, E. M., Grebenyuk, A. G., Kuts, V. S., Lobanov, V. V.
Формат: Стаття
Мова:Англійська
Опубліковано: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2010
Онлайн доступ:https://www.cpts.com.ua/index.php/cpts/article/view/30
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Назва журналу:Chemistry, Physics and Technology of Surface

Репозитарії

Chemistry, Physics and Technology of Surface
Опис
Резюме:The biological activity of D(-)-threo-isomer of levomycetin is connected with presence of hydrogen bonding between hydroxyl groups of its alicyclic form. When grafted on silica surface (via impregnation), levomycetin increases its antimicrobial capability. Adsorption-induced changes in the structure and energy parameters of levomycetin molecules probably responsible of its activity have been studied by means of quantum chemistry. It has been found that descriptors of levomycetin bioactivity can be values of the LUMO energy and O-H…O hydrogen bond length within the propanediol fragment of the molecule.