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 125I or 123I, the phosphate groups in 5-telluro-2′-deoxyuridine-3′,5′-biphosphate have a strongly stabilizing effect on the DNA component.