Gorb L. Nonempirical quantum-chemical modelling of biologically significant physical and chemical properties of isolated and hydrated DNA molecular components

Українська версія

Thesis for the degree of Doctor of Science (DSc)

State registration number

0509U000001

Thesis Registration Form

0509U000001.pdf

Applicant for

Gorb Leonid Grygorovych

Specialization

02.00.04 - Фізична хімія

Date of defense

18-12-2008

Specialized Academic Board

Д 64.051.14

V.N. Karazin Kharkiv National University

Essay

Investigated objects: isolated and hydrated molecular components of DNA. Purpose: to investigate biologically significant physical and chemical properties of DNA molecular components when they are isolated, micro- and macrohydrated or during their interaction. Methods: nonempirical methods of quantum chemistry. It has been concluded that interaction of DNA fragments with water molecules changes significantly biologically important physical and chemical the properties comparing to the ones in isolated state. Therefore, the adequate quantum-chemical models describing the mechanisms of a DNA functioning in biological systems need a careful inclusion of DNA hydration.

Thesis supervisor

Hovorun Dmytro Mykolaevych
Shishkin Oleg Valerievych

Official opponents

Висоцький Юрій Борисович
Дорошенко Андрій Олегович
Качковський Олексій Дмитрович

Files

aref.doc

dis1.doc

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