Structure of Tetracycline Adsorption Complexes on Nanosilica Surface
Abstract
By means of impregnation, an adsorption modifying of nanosilica surface with a bioactive compound tetracycline has been carried out. The bionanocomposite obtained has been characterized by IR-spectroscopy method. The spatial structures, interaction energies, and vibration spectra of the models for adsorption complexes have been calculated by ab initio quantum chemical Hartree-Fock method with use of 3-21G** basis set. The interaction between tetracycline molecule and nanosilica surface has been shown to take place due to formation of hydrogen bond between a carbonylic oxygen atom of amide group and a silanol group.
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