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Current issue   Ukr. J. Phys. 2016, Vol. 61, N 3, p.219-225
doi:10.15407/ujpe61.03.0219    Paper

Piatnytskyi D.V., Zdorevsky O.O., Perepelytsya S.M., Volkov S.N.

Bogolyubov Institute for Theoretical Physics, Nat. Acad. of Sci. of Ukraine
(14-b, Metrolohichna Str., Kyiv, 03680, Ukraine; e-mail: snvolkov@bitp.kiev.ua)

Formation of Complexes of Hydrogen Peroxide Molecules with DNA

Section: Soft Matter
Original Author's Text: Ukrainian

Abstract: A possibility for hydrogen peroxide molecules to form stable complexes with atomic groups in the DNA backbone under the irradiation of the cell medium with high-energy ions has been studied. The energy of complexes is estimated, by taking the electrostatic and van der Waals interactions into account in the framework of the atom-atom potential function method. The interaction with metal counterions, which neutralize the surface charge of a macromolecule under natural conditions, is also taken into consideration. Stable configurations are determined for various complexes consisting of the atoms belonging to a DNA phosphate group, H2O2 and H2O molecules, and a Na+ metal ion. The complexes of hydrogen peroxide molecules with DNA phosphate groups and a counterion are shown to be not less stable than their complexes with water molecules. The attachment of an H2O2 molecule to a phosphate group of the double helix backbone can block the processes of DNA biological functioning and can deactivate the genetic mechanism of a cell.

Key words: DNA, hydrogen peroxide, Bragg peak, ionic therapy

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