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...

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Bibliographische Detailangaben
Datum:2010
Hauptverfasser: Kravchenko, A. A., Krupska, T. V., Demianenko, E. M., Grebenyuk, A. G., Kuts, V. S., Lobanov, V. V.
Format: Artikel
Sprache:Englisch
Veröffentlicht: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2010
Online Zugang:https://www.cpts.com.ua/index.php/cpts/article/view/30
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Назва журналу:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface
Beschreibung
Zusammenfassung: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.