Synthesis,Characterization, and Antibacterial Activity of Novel Pyridones

Novel ethyl 2-oxo-4,6-diaryl-1,2,3,4-tetrahydropyridine-3-carboxylate and 4,6-diaryl-3,4-dihydropyridine-2(1H)-one derivatives have been synthesized from the cyclization of adducts of diethylmalonate to chalcones with ammonium acetate. The structures were established on the basis of extensive spectroscopic methods and further confirmed by X-ray crystallographic analysis. Antibacterial activity of obtained pyridones was investigated against four human pathogen microorganisms and the compounds showed poor activity.

[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]     

Mathematical models and solution algorithms for computational design of RC piles under structural effects

The paper presents mathematical models and solution algorithms for RC pile design, through scanning soil stratums from top to downwards with an interactive scanner band. The equilibrium of transferred loads from the superstructure, friction forces and tip bearing forces are considered for the design, which leads to optimum pile length. The most important contribution of this research for designers is supplying an efficient tool to obtain optimum pile length and reinforced concrete design of pile foundation systems. A program package has been developed in MATLAB depending on the proposed algorithm. Soil behaviors depending on external effects, active and passive zone distributions are considered. All possible effects in all freedom degrees are taken into account in design process. Stress and strain distributions due to axial loads, bending moments, shear forces and torsional moments may be monitored. The optimum pile length, cross section dimension and reinforcement details may be found by using developed algorithm.     

Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes

We report synthesis of six new bis-nicotinamide metal(II) dihalide complexes [M(nia)(2)Cl(2); M = Mn, Co; nia:nicotinamide, M(nia)(2)Br(2); M = Mn, Hg; M(nia)(2)I(2); M = Cd, Cu], and their characterization by combining infrared spectroscopy with density functional theory (DFT) calculations. Infrared spectra indicate that ring-nitrogen is the active donor cite, and the atomic structure of the complexes is determined to be polymeric octahedral or distorted polymeric octahedral. Spin polarized electronic ground state is obtained for Mn, Co, and Cu halide complexes. The colors of the complexes also support the conclusion of octahedral coordination around the metal atoms, in agreement with DFT results.     

Preparation and characterization of nano-sized Pt-Ru/C catalysts and their superior catalytic activities for methanol and ethanol oxidation

Carbon-supported PtRu nanoparticles (Ru/Pt: 0.25) were prepared by three different methods; simultaneous reduction of PtCl(4) and RuCl(3) (catalyst I) and changing the reduction order of PtCl(4) and RuCl(3) (catalysts II and III) to enhance the performance of the anodic catalysts for methanol and ethanol oxidation. Structure, microstructure and surface characterizations of all the catalysts were carried out by X-ray diffraction (XRD), transmission electron microscopy (TEM) coupled with energy dispersive X-ray spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS). The results of the XRD analysis showed that all catalysts had a face-centered cubic (fcc) structure with different and smaller lattice parameters than that of pure platinum, showing that the Ru incorporates into the Pt fcc structure by different ratios in all the catalysts. The typical particle sizes of all catalysts were in the range of 2-3 nm. The most active and stable catalyst for methanol and ethanol oxidation is catalyst III, in which a large amount (more than 90%) of PtRu alloy formation was observed. It has been found that this catalyst is about 8.0 and 33.4 times more active at ～0.60 V towards the methanol and ethanol oxidation reactions, respectively, compared to the commercial Pt catalyst.     

On the problem of starting points for iterative methods

Numerical Algorithms - We propose an algorithm to find a starting point for iterative methods. Numerical experiments show empirically that the algorithm provides starting points for different...     

Rayleigh Scattering of 59.5 keV γ-Rays by Mo and Sn

The differential cross sections for coherent scattering of 59.5 keV γ-rays by Mo and Sn were measured using a high-purity germanium detector. The results were compared with predictions of form factor theories and S-matrix calculations.     

Structure of 4,4′-butane-(1,4,7-three-p-tolylsulphonyl-1,4,7-three amine) diphthalonitrile

Abstract

The crystal structure of the title compound, C₄₁ H₃₅ N₇ O₆ S₃ was determined as monoclinic by single crystal X-Ray diffraction technique. The molecular structure was identified by IR, ¹H-NMR, ¹³C-NMR and elemental analysis. The crystal parameters of this compound are as follows: monoclinic P 2 1/n, a = 12.694(2) Å, b = 26.204(2) Å, c = 13.005(2) Å, β = 102.95(2)°, V = 4216.02(1) Å.³, Z = 4, Dx = 1.289 g/cm³, F(000) = 1704, λ (MoKα) = 0.71070 Å, μ = 0.2 mm^?1. The structure was solved by SHELXS-97 and refined by SHELXL-97. R = 0.06 for 3178 observed reflections with I > 2σ (I).