two newly-created water-soluble complexes of palladium(ii)/platinum(ii)-dithiocarbamate, [pd/pt(phen)(pyr-dtc)]no3 (phen = 1,10-phenanthroline and pyr-dtc = pyrrolidinedithiocarbamate) were synthesized. also, their chemical characteristics are reported in the current research paper. in these complexes, the dithiocarbamato ligand coordinates to pt(ii) or pd(ii) center with two sulfur atoms as bi...

For spherically symmetric relativistic perfect fluid models, the well-known Buchdahl inequality provides the bound 2M/R 6 8/9, where R denotes the surface radius and M the total mass of a solution. By assuming that the ratio p/ρ be bounded, where p is the pressure, ρ the density of solutions, we prove a sharper inequality of the same type, which depends on the actual bound imposed on p/ρ. As a ...

DNA interacts with insoluble monolayers made of cationic amphiphiles as well as with monolayers of zwitterionic lipids in the presence of divalent ions. Binding to dioctadecyldimethylammonium bromide (DODAB) or distearoyl-sn-glycero-3-phosphocholine (DSPC) monolayers in the presence of calcium is accompanied by monolayer expansion. For the positively charged DODAB monolayer, this causes a decre...

We demonstrate for the first time a tight binding model for water incorporating polarizable oxygen atoms. A novel aspect is that we adopt a "ground up" approach in that properties of the monomer and dimer only are fitted. Subsequently we make predictions of the structure and properties of hexamer clusters, ice-XI and liquid water. A particular feature, missing in current tight binding and semie...

To obtain drugs which are more selective at benzodiazepine (BZD) receptors, design and synthesis of functionally selective ligands for BZD receptors is the current strategy of our pharmaceutical chemistry department. The affinity of newly synthesized ligands is assessed by radioligand receptor binding assays. Based on our previous studies, 2-phenyl-5-oxo-7-methyl-1,3,4-oxadiazolo[a,2,3]-pyrimid...

Systematic studies on the vapor-liquid equilibria (VLE) and conductometric properties of aqueous solutions of model surface-active ionic liquid 1-dodecyl-3-methylimidazolium bromide ([C12mim]Br) are performed in the absence and presence of a large series of electrolytes in order to achieve a deeper understanding about the molecular mechanism behind the specific salt effect on the aggregation be...

Small molecule and polymeric liquid crystalline materials have applications in a multitude of areas, ranging from displays, optical/ electronic imaging, data storage, and stress/temperature sensing to chemical/fire resistance and artificial muscle actuation. The design of typical molecular architectures that facilitate thermotropic liquid crystalline behavior is well documented. Molecules with ...

Ionic liquid surfaces can become electrically charged during X-ray photoelectron spectroscopy experiments, due to the flux of photoelectrons leaving the surface. This causes a shift in the measured binding energies of X-ray photoelectron peaks that depends on the magnitude of the surface charging. Consequently, a charge correction method is required for ionic liquids. Here we demonstrate the na...

We examine quantum effects in liquid water at ambient conditions by performing path-integral molecular dynamics simulations of a flexible, polarizable water model that was parameterized from ab initio calculations. The quantum liquid is less structured and has a smaller binding energy, in accord with previous simulations. The difference between the quantum and classical liquid binding energies ...