Physical Chemistry

Tutor	Dr. Vladimír Sychrovský
Team	Petr Bouř
Topic	Metal-Mediated Nucleic Acid Base Pairs - Theoretical Modeling of Properties
Faculty	MFF UK
Abstract	Chemical modifications of nucleic acid base pairs with heavy metals like Hg and Ag are nowadays considered promising for expanding usability of the biologically important molecule in nanotechnologies. Theoretical modeling can assist in targeted rational design of such novel materials. Aim of the project is to model structure, stability, thermodynamic and spectroscopic parameters including charge-transport properties of the metal mediated base pairs T-Hg-T and C-Ag-C and other similar base pairs composed of modified nucleic acid bases. The calculations will provide reliable interpretation of experimental data obtained in collaborating laboratories in Japan; Prof. Akira Ono, Kangawa University (synthesis) and Prof. Yoshiyuki Tanaka, Tohoku University (spectroscopy). Contact: vladimir.sychrovsky@uochb.cas.cz, tel. +420 220 183 234.