Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F11%3A33118240" target="_blank" >RIV/61989592:15310/11:33118240 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/11:00364629
Result on the web
<a href="http://dx.doi.org/10.1135/cccc2011046" target="_blank" >http://dx.doi.org/10.1135/cccc2011046</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1135/cccc2011046" target="_blank" >10.1135/cccc2011046</a>

Result language
angličtina
Original language name
Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA
Original language description
On-the-fly surface hopping nonadiabatic photodynamical simulations using hybrid quantum mechanical/molecular mechanical approach of 4-aminopyrimidine were performed to model the relaxation mechanism of adenine within DNA double strand. The surrounding bases do not affect the overall ring-puckering relaxation mechanisms significantly, however, interesting hydrogen-bond dynamics is observed. First, formation of intra-strand hydrogen bonds is found. It is shown that this effect speeds up the decay process.In addition, the Watson-Crick structure is altered by breaking one of the inter-strand hydrogen bonds also leading to a decrease of the life time.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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