A Quantum Chemical Study on Levomycetin Interaction with Silica Surface
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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| Format: | Article |
| Language: | English |
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Chuiko Institute of Surface Chemistry of NAS of Ukraine
2010-08-01
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| Series: | Хімія, фізика та технологія поверхні |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/30 |
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| author | A. A. Kravchenko T. V. Krupska E. M. Demianenko A. G. Grebenyuk V. S. Kuts V. V. Lobanov |
| author_facet | A. A. Kravchenko T. V. Krupska E. M. Demianenko A. G. Grebenyuk V. S. Kuts V. V. Lobanov |
| author_sort | A. A. Kravchenko |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-94007fa28fbc4d1cb6cd9a46a01646a8 |
| institution | DOAJ |
| issn | 2079-1704 2518-1238 |
| language | English |
| publishDate | 2010-08-01 |
| publisher | Chuiko Institute of Surface Chemistry of NAS of Ukraine |
| record_format | Article |
| series | Хімія, фізика та технологія поверхні |
| spelling | doaj-art-94007fa28fbc4d1cb6cd9a46a01646a82025-08-20T02:50:27ZengChuiko Institute of Surface Chemistry of NAS of UkraineХімія, фізика та технологія поверхні2079-17042518-12382010-08-0113A Quantum Chemical Study on Levomycetin Interaction with Silica SurfaceA. A. Kravchenko0T. V. Krupska1E. M. Demianenko2A. G. Grebenyuk3V. S. Kuts4V. V. Lobanov5Chuiko Institute of Surface Chemistry of National Academy of Sciences of UkraineChuiko Institute of Surface Chemistry of National Academy of Sciences of UkraineChuiko Institute of Surface Chemistry of National Academy of Sciences of UkraineChuiko Institute of Surface Chemistry of National Academy of Sciences of UkraineChuiko Institute of Surface Chemistry of National Academy of Sciences of UkraineChuiko Institute of Surface Chemistry of National Academy of Sciences of UkraineThe 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.https://cpts.com.ua/index.php/cpts/article/view/30 |
| spellingShingle | A. A. Kravchenko T. V. Krupska E. M. Demianenko A. G. Grebenyuk V. S. Kuts V. V. Lobanov A Quantum Chemical Study on Levomycetin Interaction with Silica Surface Хімія, фізика та технологія поверхні |
| title | A Quantum Chemical Study on Levomycetin Interaction with Silica Surface |
| title_full | A Quantum Chemical Study on Levomycetin Interaction with Silica Surface |
| title_fullStr | A Quantum Chemical Study on Levomycetin Interaction with Silica Surface |
| title_full_unstemmed | A Quantum Chemical Study on Levomycetin Interaction with Silica Surface |
| title_short | A Quantum Chemical Study on Levomycetin Interaction with Silica Surface |
| title_sort | quantum chemical study on levomycetin interaction with silica surface |
| url | https://cpts.com.ua/index.php/cpts/article/view/30 |
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