The Role of πσ Excited States in Electron-Induced DNA Strand Break Formation: A Time-Dependent Density Functional Theory Study.

The article offers information about a time-independent density functional theory study on the role of excited states in electron-induced DNA strand break formation. It is stated that low-energy electrons (LEE) lead to induce a variety of damages within DNA, including single and double-strand breaks...

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Detalles Bibliográficos
Publicado en:	Journal of the American Chemical Society Vol. 130; no. 7; pp. 2130 - 2132
Autores principales:	Kumar, Anil, Sevilla, Michael D.
Formato:	Artículo
Publicado:	American Chemical Society 2/20/2008
Materias:	Density functionals Excited state chemistry Low energy electron diffraction Electron diffraction Quantum chemistry
Acceso en línea:	Ver este registro en EBSCOhost

Descripción
Sumario:	The article offers information about a time-independent density functional theory study on the role of excited states in electron-induced DNA strand break formation. It is stated that low-energy electrons (LEE) lead to induce a variety of damages within DNA, including single and double-strand breaks. Accordingly, researchers studied the LEE induced fragmentation or dissociation of nucleobases and ribose derivatives.