Thermodynamic stability of cytosine tetramers mediated by partially reduced silver trimers: <scp>QM</scp>/<scp>MM</scp> free energy analysis
Journal: International Journal of Quantum Chemistry
Year: 2023

Abstract Partially reduced silver clusters growing in a polycytosine matrix could simultaneously possess stabilizing ability and remarkable optical features. The mechanisms of this phenomenon are not fully understood so far. We examined the thermodynamic stability of a cytosine–silver associate comprising four cytosines and three silver atoms that can be considered the smallest known luminescent silver marker stabilized on DNA. Quantum and molecular mechanical representations thermodynamic integ