Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA

6533b872fe1ef96bd12d42ff

RESEARCH PRODUCT

Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA

Hugo Gattuso Antonio Monari Iñaki Tuñón Daniel Roca-sanjuán Antonio Francés-monerris Marco Marazzi Elise Dumont

subject

010304 chemical physics Proton Chemistry Base pair Guanine General Chemistry Hydrogen atom 010402 general chemistry 01 natural sciences 0104 chemical sciences Nucleobase [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry chemistry.chemical_compound Chemistry Chemical physics Excited state 0103 physical sciences Molecule [CHIM]Chemical Sciences Ground state ComputingMilieux_MISCELLANEOUS

description

Multiscale molecular dynamics simulations reveal out-of-plane distortions that favour DNA photostability. A novel photostability mechanism involving four proton transfers and triggered by a nearby Na+ ion is also unveiled.

year	journal	country	edition	language
2018-10-24

10.1039/c8sc03252a https://hal.archives-ouvertes.fr/hal-01981143

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