Stability and structure of 5-telluro-2'-deoxyuridine and 5-telluro-2'-deoxyuridine-3',5'-biphosphate cations

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