The uncontrolled concentrations of heavy metals introduced into the water sources need an effective method for their removal. dithiocarbamate (dtc) ligands are most popular precipitating agents used removal from wastewater. Presently, two novel dtc ligands, one without methylene linker (K2L1) and other with (K2L2) were eight ions including Fe2+, Co2+, Ni2+, Cu2+, Cd2+, Ag+, Zn2+ Pb2+ aqueous so...

Natural ligands of G-protein-coupled receptors interact with the orthosteric ligand binding site, as do most of the classical synthetic ligands. The discovery of ligands targeting different, allosteric binding sites considerably expanded the repertoire of G-protein-coupled receptor ligands. More recently, bitopic ligands have been described that target both orthosteric and allosteric sites at t...

GPR18, GPR55 and GPR119 (provisional nomenclature), although showing little structural similarity to CB1 CB2 cannabinoid receptors, respond endogenous agents analogous the ligands, as well some natural/synthetic receptor ligands [104]. Although there are multiple reports indicate that can be activated in vitro by N-arachidonoylglycine, lysophosphatidylinositol N-oleoylethanolamide, respectively...

This paper examines the coordination chemistry of iron to TPA-like nitrogenous tripod ligands, focusing on how spin state metal is affected by presence steric constraints and acetonitrile ligands which can be displaced easily. Additionally, reactivity derivatives with molecular oxygen, conservation geometry between solid solution various geometries, electronic properties, redox properties ferro...

Insights into the past and future of Janus -head di-NHC ligands.

We perform first-principles calculations of the electronic and dielectric properties bismuthene functionalized with small ligands. Molecular dynamics simulations show that adsorption these ligands are stable at 300K. by calculating Z2 topological invariant all structures have insulating (TI) behavior a sizable energy band gap. All functional groups induce an change enough to drastically modify ...

Radiolytic stability is one of the main requirements ligands for reprocessing spent nuclear fuel. The prediction radiation based only on 2D molecular structural formula allows us to accelerate and simplify development new ligands. Here, we used quantum chemistry investigate radiolytic behavior water-soluble diglycolamides as most popular fuel reprocessing. accurate accounting conformational mob...