Stabilization of the Adsorption Complexes of Biomolecules on the Surface of Partially Hydrophobized Silica in an Aqueous Medium: a Quantum Chemical Study
Abstract
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.References
Iler R.K. The Chemistry of Silica: Solubility, Polymerization, Colloid and Surface Properties and Biochemistry of Silica. New York: Wiley, 1979.
Chuiko A.A. (Ed.), Meditsinskaya Khimiya i Klinicheskoe Primenenie Dioksida Kremniya. Kiev: Naukova Dumka, 2003. (in Russian).
Venes D. Taber’s Cyclopedic Medical Dictionary. F. A. Davis Company, 2005.
Schmidt M.W., Baldridge K.K., Boatz J.A. et al. J. Comput. Chem. 1993. 14. 1347.
Xidos J.D., Li J., Zhu T. et al. GAMESOL–version 3.1, University of Minnesota, Minneapolis, 2002, based on the General Atomic and Molecular Electronic Structure System (GAMESS) as described in Ref. 4.
Zhu T., Li J., Liotard D.A et al. J. Chem. Phys. 1999. 110(18). 5503.
Laguta I., Stavinskaya O., Kuzema P., Kazakova O. Polish J. Chem. 2008. 82. 85.
Laguta I.V., Kuzema P.O., Stavinskaya O.N., Kazakova O.A. Physics, Chemistry and Applications, Shpak A.P., Gorbyk P.P. (eds). Springer, 2009. 269.
Kuzema P., Stavinskaya O., Kazakova O., Laguta I. Surface Chemistry in Biomedical and Environmental Science, NATO Science Series II. 2006. 228. 307.
Laguta I., Stavinskaya O., Kuzema P. et al. X Ukrainian-Polish Symposium “Theoretical and experimental studies of interfacial phenomena and their technological applications” (September 26-30, 2006, Lviv-Uzlissia, Ukraine). 198.
Stavinskaya O.M., Kuzema P.O., Laguta I.V. et al. Annales Universitatis Marie Curie-Sklodowska, Sectio Chemia. 2007. 62. 124.
Belyakova L.A., Varvarin A.M., Besarab L.N. et al. Rus. J. Phys. Chem. A. 2005. 79(3). 435.
Belyakova L.A., Besarab L.N., Roik N.V. et al. J. Colloid Interface Sci. 2006. 294(1). 11.
Despopoulos A., Silbernagl S., Gay R., Rothenburger A. Color Atlas of Physiology. New York: Thieme Medical Publishers, 2003.
Lehninger A.L. Principles of Biochemistry. New York: Worth Publisher, 1985.
Kazakova O.A. Coll. Chemistry, Physics and Technology of Surface. 2011. 18. 3 (in Russian).
Downloads
How to Cite
Issue
Section
License
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work.
