Dipole-bound and valence-bound anions of thymine were characterised by means of state-of-the-art ab initio calculations. The dipole-bound anion of thymine is both vertically and adiabatically stable with adiabatic electron affinity of 51 meV. The valence-bound anion is also adiabatically stable, albeit only marginally. Its vertical stability of 501 meV is, however, higher than that of the dipol...

The results of MO INDO calculations of some thymine radicals are presented. These include as well as the hydrogen addition radicals the hydroxyl addition radicals to C5 and to C6 of the C5=C6 double bond of the thymine molecule. The radicals resulting from hydrogen abstraction from the methyl group and from the nitrogen N1 are also studied. Except for radicals where the main spin density is loc...

E. coli cells initiating chromosome replication after release from amino-acid starvation were incubated in [(3)H]thymine of moderate specific activity, followed by incubation in [(3)H]thymine plus [(3)H]thymidine of very high specific activity. The grain tracks produced in autoradiographs of chromosomes were denser on both ends than in the middle. The autoradiographic patterns are, therefore, e...

On-the-fly excited-state quantum mechanics/molecular mechanics molecular dynamics (QM/MM-MD) simulations of thymine in aqueous solution are performed to investigate the role of solvent water molecules on the nonradiative deactivation process. The complete active space second-order perturbation theory (CASPT2) method is employed for a thymine molecule as the QM part in order to provide a reliabl...

The DNA double helix, one of the most amazing and important self-assembled structures found in nature is dependendent on the interaction between the DNA base molecules: Adenine (A) and Thymine (T); and Cytosine (C) and Guanine (G). Recently there have been a number of Scanning Tunneling Microscope (STM) experiments on the gold (111) surface in which the DNA base molecules (Adenine (A), Cytosine...

The reaction pathways for the photochemical formation of cyclobutane thymine dimers in DNA are explored using hybrid density functional theory techniques. It is concluded that the thymine-thymine [2 + 2] cycloaddition displays favorable energy barriers and reaction energies in both the triplet and the singlet excited states. The stepwise cycloaddition in the triplet excited state involves the i...

We divided industrial yeast strains of Saccharomyces cerevisiae into three groups based on the sequences of their internal transcribed spacer (ITS) regions. One group contained sake yeasts, shochu yeasts, and one bakery yeast, another group contained wine yeasts, and the third group contained beer and whisky yeasts, including seven bakery yeasts. The three groups were distinguished by polymorph...