Journal Article

PreJuSER-14217

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Stability and structure of 5-telluro-2'-deoxyuridine and 5-telluro-2'-deoxyuridine-3',5'-biphosphate cations

Kümmerle, E. A.FZJ* ; Pomplun, E.FZJ*

2010
Elsevier New York, NY [u.a.]

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Please use a persistent id in citations: http://hdl.handle.net/2128/3719  doi:10.1016/j.theochem.2010.02.031

Abstract: The stability and structure of 5-telluro-2 '-deoxyuridine and 5-telluro-2 '-deoxyuridine-3 ',5 '-biphosphate cations was investigated by density functional theory calculations. With regard to a conceivable Coulomb explosion within the DNA strand after the decay of DNA-incorporated I-125 or I-123, the phosphate groups in 5-telluro-2 '-deoxyuridine-3 ',5 '-biphosphate have a strongly stabilizing effect on the DNA component. (C) 2010 Elsevier B.V. All rights reserved.

Keyword(s): J ; Density functional calculations ; Coulomb explosion ; DNA-incorporated Auger electron emitter ; Iodouracil ; Iododeoxyuridine ; Thymine ; 2'-Deoxyuridine ; 2'-Deoxyuridine-3',5'-biphosphate ; Density functional calculations (auto) ; Coulomb explosion (auto) ; DNA-incorporated Auger electron emitter (auto) ; Iodouracil (auto) ; Iododeoxyuridine (auto) ; Thymine (auto)

Note: Record converted from VDB: 12.11.2012; PRE-PRESS VERSION The original publication is available at http://dx.doi.org/10.1016/j.theochem.2010.02.031; Record converted from JUWEL: 18.07.2013

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Contributing Institute(s):

1. Abteilung Sicherheit und Strahlenschutz (S)

Research Program(s):

1. ohne FE (ohne FE)

Appears in the scientific report 2010

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