Does Stacking Restrain the Photodynamics of Individual Nucleobases?

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F10%3A10215953" target="_blank" >RIV/61989592:15310/10:10215953 - isvavai.cz</a>

Alternative codes found

RIV/61388963:_____/10:00346458

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Does Stacking Restrain the Photodynamics of Individual Nucleobases?

Original language description

Nonadiabatic photodynamical simulations of 4-aminopyrimidine (4-APy) used as a model for adenine were performed by embedding it between two stacking methyl-guanine (mGua) molecules to determine the effect of spatial restrictions on the ultrafast photodeactivation mechanism of this nucleobase. During the dynamics the formation of a significant fraction of intrastrand hydrogen bonding from 4-APy to mGua above and below is observed. These findings show that this type of hydrogen bond may play an importantrole for the photodynamics within one DNA strand and that it should be of interest even in irregular segments of double stranded nucleic acids structures. The relaxation mechanism of internal conversion to the ground state is dominated by ring puckering,and an overall elongation of the lifetime by ?20% as compared to the isolated 4-APy is computed.

Czech name

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Czech description

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Type

J_x - 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

2010

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of American Chemical Society

ISSN

0002-7863

e-ISSN

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Volume of the periodical

132

Issue of the periodical within the volume

24

Country of publishing house

US - UNITED STATES

Number of pages

3

Pages from-to

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UT code for WoS article

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EID of the result in the Scopus database

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