Base flipping of the thymine dimer in duplex DNA

Article Abstract:

The structure of both the flipped-in and the flipped-out cis, syn-cyclobutane pyrimidine dimer (CPD) lesions in duplex DNA is analyzed using molecular dynamics (MD) simulations. The studies have shown that the flipped-out CPD lesion is recognized by its repair enzyme, whereas other damaged/nondamaged based have shown that they are recognized by enzymes in the intrahelical, flipped-in state.

Petrochemical Manufacturing, Deoxyribonucleic Acid, Cyclic Crude Materials, DNA, Molecular dynamics, Pyrimidines, Cyclic hydrocarbons

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On the intrinsic population of the lowest triplet state of thymine

Article Abstract:

The mechanism of population of the lowest triplet state of thymine is analyzed on the basis of singlet-triplet crossings (STCs) occurring along the major deactivation path responsible for the rapid internal conversion (IC) process detected in the molecule. Two singlet-triplet crossings along the minimum-energy path for ultrafast decay of the singlet state at 4.8 and 4.0 eV are observed.

Proteins, Protein crosslinking

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