We report on the exploitation of a new tetrazole-substituted 1,10-phenanthroline and a 2,2'-bipyridine (bpy) ancillary ligand modified with an electron-donating group in cationic ruthenium complexes. This complex, placed in between two electrodes without any polymer, demonstrates high efficiency near-infrared (NIR) electroluminescence (EL). The comparison between bpy and its methyl-substituted ...

Motivation: Computer modeling of protein-ligand interactions is one of the most important phases in a drug design process. The core part of this modeling is a resolution of a global unconstrained optimization problem. This paper presents a comparative computational experiments aimed at studying the efficiency of the different optimization methods applied to the docking problem. We present exper...

a new carboxylic acid extractant, named 2-(dibutylcarbamoyl)benzoic acid, is prepared and its potential for selective solvent extraction and recovery of lead ions from industrial samples was investigated. the slope analysis indicated that the lead ions are extracted by formation of 1:2 metal to ligand complexes. the effect of the parameters influencing the extraction efficiency including kind o...

We propose a numerical framework that permits an effective atlas-like representation of chemico-biological space based on a series of Cartesian planes mapping the ligands with the corresponding targets connected by an affinity parameter (K(i) or related). The numerical framework is derived from the concept of ligand efficiency indices, which provide a natural coordinate system combining the pot...

In this study, we have been involved in the synthesis and characterization studies of a new cyclotriorganophosphazenes complex with protected phloroglusine ligand. Firstly,we synthesized hexachlorocyclotirphosphazene from ammonium chloride and phosphorus pentachloride reaction and then two hydroxyl groups of the phloroglusine ligand were protected with methyl iodide and tosyl chloride. Fina...

A series of new platinum square planar complexes [Pt(NCN)L]+/0 with the pincer N^C^N cyclometallated ligand (NC(H)N = 1,3-bis(1-phenyl-1H-phenanthro[9,10-d]imidazol-2-yl)benzene) containing following L: Cl−, acetonitrile, pyridine, dimethylaminopyridine, 2,6-dimethylphenylisocyanide, has been synthesized. Application bridging acetate ion as L allowed obtaining a binuclear [Pt(NCN)]2OOCCH3 compl...

A new series of transition metal complexes of Co(II), Ni(II), Cu(II) and Zn(II), has beensynthesized from the Knoevenagel condensate Schiff base ligand(L) derived from β-ketoanilideand furfural with o-phenylenediamine and diethylmalonate. Structural features were determinedby spectral and analytical techniques. Square-planar geometry has been adopted by thecomplexes except cobalt complex which ...

New coordination polymer of [HgLCl2]n (1) with HgCl2 and Schiff base bidentate ligand (4-methoxyphenyl) pyridine-2yl methyleneamine (L) was prepared and structurally characterized. In the 1D network structure of 1, the mecury (II) ion adopts an HgN2Cl3 distorted square pyramid geometry. In this complex, one of the chlorine acts as bridging ligand connecting two adjacent mercury(II) ions while, ...

Hematogenous metastasis involves the adhesion of circulating tumor cells to vascular endothelium of the secondary site. We hypothesized that breast cancer cell adhesion is mediated by interaction of endothelial E-selectin with its glycoprotein counter-receptor(s) expressed on breast cancer cells. At a hematogenous wall shear rate, ZR-75-1 breast cancer cells specifically adhered to E-selectin e...