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Information × Registration Number 0220U100636, 0119U100309 , R & D reports Title Mechanisms of complex formation and electronic excitations in compounds of conjugated systems with nanostructures. popup.stage_title Head Pavlenko Olena L., Кандидат фізико-математичних наук Registration Date 23-01-2020 Organization Taras Shevchenko National University of Kyiv popup.description2  Object of the study: Solutions of drugs with metal nanoparticles, their complex formation. Purpose: to establish mechanisms of interaction of drugs with nanostructures, characterization of their complex formation. Research methods: spectroscopy of optical absorption and luminescence, quantum-chemical methods of density functional theory, semi-empirical methods AM1, ZINDO. Aqueous solutions of doxorubicin, gemcitabine bovine serum albumin (DOX-BSA), metal nanoparticles, in particular nanoscale magnetite Fe3O4, were studied and equilibrium binding constants and binding sites were determined. The established values ​​of thermodynamic interaction parameters indicate the presence of hydrogen bonds and hydrophobic interaction between the protein molecule and the ligands. The presence of adsorbed gemcitabine molecules on the surface of nanoscale magnetite and its nanocomposites was confirmed by vibration spectroscopy. Changes in the charge distribution of the conformational states of the doxorubicin molecule upon interaction with metal nanoparticles of various shapes have been established. Quantum-chemical calculations obtained the vibrational spectra of a DNA fragment from two of its monomer units in the presence of fluorination of deoxycytidine in the IR range. Product Description popup.authors Busko Tetiana O. Lesiuk Andrii I. Nikolaienko Tymofii Yu. Pavlenko Olena L. popup.nrat_date 2020-04-02 Close