The potential energy surface for the transformation of 8-hydroxy guanine radical to
formamidopyrimidine adducts via four pathways has been mapped out using B3LYP density …

The mechanism of action of sulforaphane as a scavenger of superoxide radical anion (O2•–)
and hydrogen peroxide (H2O2) was investigated using density functional theory (DFT) in …

Reactions of peroxynitrite with guanine were investigated using density functional theory
(B3LYP) employing 6‐31G** and AUG‐cc‐pVDZ basis sets. Single point energy calculations …

A comprehensive theoretical investigation was performed to illuminate the influence of
hydrogen bonds (H-bonds) on the obscure reaction of a hydroxyl radical (HO˙) and guanine …

Glutathione is an immensely important antioxidant, particularly in the central nervous
system. The scavenging mechanism of glutathione towards the OH radical was studied …

The hydroxyl radical is the most reactive oxygen species, and it is able to attack
macromolecules such as proteins. Such oxidation processes are the cause of a number of …

Epigenetics have essential roles in development and human diseases. Compared to the
complex histone modifications, epigenetic changes on mammalian DNA are as simple as …

N-Acetylcysteine, a precursor of glutathione, is an effective antioxidant present in biological
systems. The mechanism of scavenging action of N-acetylcysteine for the OH radical was …

Thyroid diseases have a complex and multifactorial aetiology. Despite the numerous studies
on the signals referable to the malignant transition, the molecular mechanisms concerning …

Theoretical simulations are particularly well suited to investigate, at a molecular level, direct
and indirect effects of ionising radiations in DNA, as in the particular case of irradiation by …