Стабілізація адсорбційних комплексів біомолекул на поверхні частково гідрофобізованого кремнезему у водному середовищі: квантовохімічне дослідження
The influence of the degree of hydrophobization of silica surface trimethylsilyl groups on the stability of adsorption complexes with molecules of vitamins C, B1, B6, E and the bile acids in an aqueous medium has been studied by quantum chemical methods using Hartree-Fock theory with the 6-31G (d) b...
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| Datum: | 2012 |
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| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | Englisch |
| Veröffentlicht: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2012
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| Online Zugang: | https://www.cpts.com.ua/index.php/cpts/article/view/196 |
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| Назва журналу: | Chemistry, Physics and Technology of Surface |
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Chemistry, Physics and Technology of Surface| Zusammenfassung: | The influence of the degree of hydrophobization of silica surface trimethylsilyl groups on the stability of adsorption complexes with molecules of vitamins C, B1, B6, E and the bile acids in an aqueous medium has been studied by quantum chemical methods using Hartree-Fock theory with the 6-31G (d) basis set and PM3 semiempirical method and SM5.42R solvation model. It was shown that the appearance of these groups on the silica surface stabilizes the adsorption complex due to interaction of the hydrophobic groups with hydrogen-carbon fragments of the vitamin and bile acid molecules. It was found that for taurocholic acid dependence of the free energy of adsorption on the degree of surface hydrophobization is stronger than for deoxycholic, cholic and glycocholic ones. |
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