Inorganic contamination in drinking water, especially fluoride and uranium, has been
recognized as a worldwide problem imposing a serious threat to human health. Among …

Uranyl (UO22+) is an exceptionally stable molecular species, characterized by a linear OUO
geometry and short U–O bonds. Its two oxo ligands are thought to be inert to exchange and …

Adsorption processes with carbon-based adsorbents have received substantial attention as
a solution to remove uranium from drinking water. This study investigated uranium …

A green and facile solvent-and catalyst-free method, without inert gas protection and/or
mechanical grinding to synthesize an azine-linked covalent organic framework (ACOF) with …

On the basis of high stability of phosphorus–oxygen linkage, we constructed two
microporous covalent phosphazene-based frameworks (CPFs), for the first time, by choosing …

The selective extraction of minor actinides (III) from the lanthanides (III) is a key step for
spent fuel reprocessing. Theoretical calculations of geometries, electronic structures …

The latest experimental and theoretical studies on structural and dynamical properties of
lanthanoid (III) and actinoid (III) ions in water have been reviewed. In the last years, most of …

Potential-based molecular dynamics simulations of aqueous uranyl carbonate species
(MxUO2 (CO3) y2+ 2x− 2y with M= Mg, Ca, or Sr) were carried out to gain molecular-level …

The capture of uranyl, UO22+, by a recently engineered protein (Zhou et al. Nat. Chem.
2014, 6, 236) with high selectivity and femtomolar sensitivity has been examined by a …

Results of ab initio molecular dynamics AIMD simulations density functional theory+ PBE96
of the dynamics of waters in the hydration shells surrounding the Zn2+ ion T300 K, 1 gm/cm3 …