We study the effect of the oxidative lesion 8-oxoguanine (8oxoG) on the preorganization of the active site for DNA replication in the closed (active) state of the Bacillus fragment (BF), a Klenow analog from Bacillus stearothermophilus. Our molecular dynamics and free energy simulations of explicitly solvated model ternary complexes of BF bound to correct dCTP/incorrect dATP opposite guanine (G...

FeIII-containing aluminosilicate zeolites are present in cement-relevant and natural environments. Although FeIII is known to occur framework tetrahedral sites where it substitutes isomorphically AlIIIO4 or extra-framework octahedral as free Fe(H2O)63+, the structural incorporation process of into different little known. We aim discern feasible pathways using hydrothermal synthesis methods sync...

In recent years, destructive earthquakes have shown the deficiencies of the existing buildings. One of the most effective mechanisms for dissipating the earthquake energy is inelastic deformation of the steel components. The objective of this research is to study the application of metallic dampers for dissipation of the earthquake energy and to investigate the behavior of concrete structures i...

Background: Many in vitro studies suggested that choline incorporation into many types of tumors is related to cell proliferation. Whether in vivo choline incorporation is related also to cell proliferation or not was my question. Therefore, the aim of this pilot study was to investigate the relationship of in vivo [methyl- 14C]-choline incorporation and in vivo [methyl-3H]- thymidine incorpora...

Incorporation of biquinoline ligands into Ru(II) polypyridyl complexes produces light-activated systems that eject a ligand and photobind DNA after irradiation with visible and near-IR light. Structural analysis shows that distortion facilitates the photochemistry, and gel shift and cytotoxicity studies prove the compounds act as anti-cancer photodynamic therapy (PDT) agents in the tissue penet...