Synthesis and Spectroscopic Studies of New Substituted Dinuclear η5-4,5,6,7-Tetrahydroindenyl Ruthenium Complexes

New complexes of bis(1,3-dimethyl-4,5,6,7-tetrahydroindenyl)diruthenium tetracarbonyl and bis(3-methyl-1-phenyl-4,5,6,7-tetrahydroindenyl)diruthenium tetracarbonyl were prepared from the corresponding substituted tetrahydroindene and ruthenium carbonyl. The ligand systems were obtained by the reactions of methyl magnesium iodide and phenyl magnesium bromide with 3-methyl-2,3,4,5,6,7-hexahydroind-8(9)en-1-one.     

Silver nanoparticles plasmon resonance-based method for the determination of uric acid in human plasma and urine samples

We have developed a simple and sensitive colorimetric procedure for the quantification of trace amounts of uric acid. It is based on the finding that uric acid in a medium containing ammonia and sodium hydroxide at 65?°C can reduce silver ions to form yellow silver nanoparticles (Ag NPs). These are stabilized in solution by using poly(vinyl alcohol) as a capping agent. The yellow color of the solution that results from the localized surface plasmon resonance of Ag NPs can be observed by the bare eye. The absorbance at 415?nm is proportional to the concentration of uric acid which therefore can be determined quantitatively. The calibration curve is linear in the concentration range from 10 to 200?nM, with a limit of detection of 3.3?nM. The method was successfully applied to the determination of uric acid in human plasma and urine samples.

A facile one-pot synthesis of functionalized thiazines in water

An efficient synthesis of thiazines from the three component reactions between dialkyl acetylenedicarboxylates,arylisothio-cyanates and iV-nucleophiles at room temperature in water as the solvent is described.     

Computation of some thermodynamics, transport, structural properties, and new equation of state for fluid neon using a new intermolecular potential from molecular dynamics simulation

A new pair potential energy function of neon has been determined via the inversion of reduced viscosity collision integrals at zero pressure and fitted to obtain an analytical potential form. The pair potential reproduces the second virial coefficient, viscosity, thermal conductivity, and self-diffusion coefficient of neon in a good accordance with experimental data over wide ranges of temperature and density. We have also performed molecular dynamics simulation to obtain some thermodynamics, transport, and structural properties of fluid neon at different temperatures and densities using our calculated pair potential supplemented by quantum corrections following the Feynman–Hibbs approach. The significance of this work is that the three-body expression of Wang and Sadus (J Chem Phys 125:144509–1, 2006) can be used to improve the prediction of the pressures of neon without requiring an expensive three-body calculation. The molecular dynamics simulation of neon has been also used to determine a new equation of state for neon. Our results are in a good agreement with experiment and literature values.     

Computation of some thermodynamic properties of helium–neon and helium–krypton fluid mixtures using molecular dynamics simulation

We have performed molecular dynamics simulations to obtain internal energy and pressure of helium–neon and helium–krypton mixtures at different densities using accurate recently two-body ab initio potentials supplemented by quantum corrections following the Feynman–Hibbs approach. The significance of this work is that the three-body expression of Wang and Sadus [22] was used to improve prediction of the pressures and internal energies of helium + krypton and helium + neon mixtures without requiring an expensive three-body calculation. Our results show a good agreement with the corresponding experimental data.     

Phase-dependent heat current of granular Josephson junction for different geometries

We theoretically investigate the phase-dependent heat transport of a temperature-biased granular Josephson junction in the presence of a perpendicular magnetic field. We illustrate the influence of geometry of the junction on the thermal current. The use of granular Josephson junction rather than bulk one makes significant changes in the heat current behavior. The heat current diffraction pattern of the rectangular, circular and annular geometries with no trapped fluxons demonstrates similar to the current of s-wave superconducting junction. By increasing the number of trapped fluxon, the pattern of current behaves such as d-wave superconducting junction. The feasibility of using granular superconductors, with different geometries, controlled by the magnetic field provides an appropriate tool to obtain the desired result for a specific application.     

Glycerol revisited molecular dynamic simulations of structural,dynamical, and thermodynamic properties

We performed molecular dynamics simulations to investigate the properties of glycerol for a wide range of temperatures at standard pressure. We calculated structural (radial distribution functions and pair potential of mean force), dynamical (mean square displacement and transport properties), and thermodynamic (density, thermal expansion, and Hildebrand solubility parameter) properties of glycerol. The results of structural properties showed that the correlation between glycerol atoms weakens as temperature increases. The values of mean square displacement showed that changing temperature has a strong influence on mobility of glycerol atoms. The values of diffusion coefficient and viscosity are remarkably close to the experimental values over the whole range of temperatures studied. The simulation results provide a reasonable estimation of density with percent error of 0.40 %. The simulated values of Hildebrand solubility parameter of glycerol decrease with raising temperature because the cohesive forces weaken. To the best of our knowledge, this work for the first time calculates the potential of mean force, viscosity, and Hildebrand solubility parameter of glycerol by MD simulation.     

Preparation of Carvedilol Nanoparticles by Emulsification Method and Optimization of Drug Release: Surface Response Design Versus Genetic Algorithm

The objectives of this research were the production of Eudragit nanoparticles of carvedilol, an anti-hypertension drug, for enhancement of its absorption and optimization of drug release. Nanoparticles were prepared by emulsification-solvent evaporation or diffusion methods. The statistical surface response design, based on the Box-Behnken model, was applied to evaluate the effect of four variables, each in two levels, on specifications of nanoparticles. An intelligent modeling system was established according to genetic algorithm to predict drug release from the nanoparticles. The neural network-genetic algorithm model showed a more precise method than surface response design in the prediction of the release properties of carvedilol from Eudragit nanoparticles.     

Ionic liquids as novel solvents and catalysts for the direct polycondensation of N,N′‐(4,4′‐oxydiphthaloyl)‐bis‐L‐phenylalanine diacid with various aromatic diamines

Ionic liquids (ILs) are often considered green solvents capable of replacing traditional organic solvents and have been extensively studied in materials chemistry and catalysis. In this study, the direct polycondensation of N,N′‐(4,4′‐oxydiphthaloyl)‐bis‐L ‐phenylalanine diacid with various aromatic diamines was performed in IL media. The influence of various reaction parameters, including the nature of the IL cations and anions, the monomer structures, the reaction temperature, and the reaction time, on the yields and inherent viscosities of the resulting optically active poly(amide imide)s (PAIs) were investigated. Direct polycondensation successfully preceded in ILs and triphenyl phosphite (a condensing agent) without any additional extra components, such as LiCl and pyridine, which are used in similar reactions in ordinary molecular solvents. Therefore, ILs can act as both solvents and catalysts. Various high‐molecular‐weight, optically active PAIs were obtained in high yields with inherent viscosities ranging from 0.54 to 0.88 dL/g. This method was also compared with three other classical methods for the polycondensation of the aforementioned monomers. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 6545–6553, 2005