The statistical mechanics of spin-1 Ising model with AFM/AFM interactions on a bilayer Bethe lattice

The spin-1 Ising model is studied for the case of antiferromagnetic (AFM)/AFM interactions on the bilayer Bethe lattice by using the pairwise approach for several values of the coordination numbers q=3, 4 and 6 when the layers are linked with the external magnetic fields. The ground state (GS) phase diagrams, thermal variations of the order-parameters and the response functions are studied in detail to obtain the phase diagrams of the model. It was found that the system gives only one Néel temperature, T_N, for q=3. Two T_N's and first-order phase transition temperature, T_t, thus tricritical point, are found and the existence of two T_N's leads to the reentrant behavior when q=4 and 6 for some given system parameters.     

Synthesis, characterization and biological evaluation of a novel Cu(II) complex with the mixed ligands 2,6-pyridinedicarboxylic acid and 2-aminopyridine

A novel bridged binuclear Cu(II) complex with mixed ligands, di-μ-(2-aminopyridine(N,N′))-bis[(2,6-pyridinedicarboxylate)aquacopper(II)] tetrahydrate, formulated as [Cu(μ-ap)(dipic)(H₂O)]₂·4H₂O (1) (dipic = 2,6-pyridinedicarboxylate, ap = 2-aminopyridine), has been synthesized and characterized by elemental, spectral (IR and UV–Vis.), thermal analysis, magnetic measurements and single crystal X-ray diffraction analysis. The central Cu(II) ion resides on a centre of symmetry in a distorted square-pyramid coordination environment comprising of two N atoms, one from dipic and one from the ap ring, two carboxylate O atoms from dipic, and one O atom from water. Intermolecular N–HO and O–HO hydrogen bonds and π–π stacking interactions seem to be effective in the stabilization of the crystal structure. The free ligands and the complex were also evaluated for their antimicrobial and radical scavenging activities (DPPH = 1,1-diphenyl-2-picrylhydrazyl hydrate) using in vitro microdilution methods. Antimicrobial screening of the free ligands and their complex showed that the free ligands and the complex possess antifungal activity against Candida sp.     

Synthesis of new phosphorus ylides: Spectroscopic and X‐ray structural studies

Stable phosphoranes, Ar₃P = CHCOR (R = C₆H₅, C₆H₄NO₂, C₆H₄OCH₃, CH₃, OCH₂C₆H₅; Ar = p‐tolyl or phenyl), have been C‐acylated by acetic anhydride to obtain new types of phosphorus ylides. Synthesis and characterization of six phosphorus ylides of the type Ar₃PC(COCH₃)(COR) are reported. The reaction of {(p‐tolyl)₃PCHCOC₆H₅} ( I ), {(p‐ tolyl)₃PCHCOC₆H₄NO₂} ( II ), {Ph₃PCHCOC₆H₄NO₂} ( III ), {Ph₃PCHCOC₆H₄OCH₃} ( IV ), {(p‐tolyl)₃PCHCOCH₃} ( V ), and {Ph₃PCHCOOCH₂C₆H₅} ( VI ) with acetic anhydride in dry chloroform as solvent gives (p‐tolyl)₃PC(COMe)(COC₆H₅), α‐acetyl‐α‐benzoylmethy‐lenetriphenylphosphorane ( 1 ), {(p‐tolyl)₃PC(COMe) (COC₆H₄NO₂)} ( 2 ), {Ph₃PC(COMe)(COC₆H₄NO₂)} ( 3 ), {Ph₃PC(COMe)(COC₆H₄OCH₃)} ( 4 ), {(p‐tolyl)₃ PC(COCH₃)₂} ( 5 ), and {Ph₃PC(COMe)(COOCH₂ C₆H₅)} ( 6 ). Single crystal X‐ray analyses for ylides 2 , 5 , and 6 reveal the monoclinic ( 2, 5 ) and triclinic ( 6 ) crystal systems. Characterization of the obtained compounds was also performed by elemental analysis, IR, ¹H, ³¹P, and ¹³C NMR. The geometries of these compounds have been investigated using density functional theory (DFT). In addition, electronic parameters of these compounds such as HOMO and LUMO energy, Mulliken partial charge, and dipole moment were obtained. In this paper, the reactivity of these ylides is discussed in regard to the aforementioned data. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 21:475–485, 2010; View this article online at wileyonlinelibrary.com . DOI 10.1002/hc.20633     

On the fundamental equations of piezoelasticity of quasicrystal media

The three-dimensional fundamental equations of elasticity of quasicrystals with extension to quasi-static electric effect are expresses in both differential and variational invariant forms for a regular region of quasicrystal material. The principle of conservation of energy is stated for the regular region and the constitutive relations are obtained for the piezoelasticity of material. A theorem is proved for the uniqueness in solutions of the fundamental equations by means of the energy argument. The sufficient boundary and initial conditions are enumerated for the uniqueness. Hamilton’s principle is stated for the regular region and a three-field variational principle is obtained under some constraint conditions. The constraint conditions, which are generally undesirable in computation, are removed by applying an involutory transformation. Then, a unified variational principle is obtained for the regular region, with one or more fixed internal surface of discontinuity. The variational principle operating on all the field variables generates all the fundamental equations of piezoelasticity of quasicrystals under the symmetry conditions of the phonon stress tensor and the initial conditions. The resulting equations, which are expressible in any system of coordinates and may be used through simultaneous approximation upon all the field variables in a direct method of solutions, pave the way to the study of important dislocation, fracture and interface problems of both elasticity and piezoelasticity of quasicrystal materials.     

Chemical Analysis of Hydroxyapatite Artificial Bone Powders by Energy Dispersive X-Ray Fluorescence Spectrometry(EDXRF)

Stoichiometric hydroxyapatite (HA) nanoparticles were synthesized by a wet chemical method. Calcium nitrate tetra hydrate used as calcium source and dibasic ammonium phosphate used as phosphorous source. Calcium nitrate tetra hydrate and dibasic ammonium phosphate solutions were prepared by dissolving the salts in distilled water. Stoichiometric hydroxyapatite nanoparticles used by artificial bone powders and synthesized by a wet chemical method were analyzed using EDXRF method.The concentrations of K, Ca, Ti, V, Cr, Fe, Ni, Cu, Sr and Pb for artificial bone powders have been determined. Besides, Calcium contents were evaluated according to the agitation time and temperature in the production process.     

The Bethe lattice treatment of sound attenuation for a spin- 3/2 Ising model

The sound attenuation phenomena is investigated for a spin- 3/2 Ising model on the Bethe lattice in terms of the recursion relations by using the Onsager theory of irreversible thermodynamics. The dependencies of sound attenuation on the temperature (T$T$), frequency (w$w$), Onsager coefficient (γ$\gamma$) and external magnetic field (H$H$) near the second-order (_Tc)$\left(T_c\right)$ and first-order (_Tt)$\left(T_t\right)$ phase transition temperatures are examined for given coordination numbers q$q$ on the Bethe lattice. It is assumed that the sound wave couples to the order-parameter fluctuations which decay mainly via the order-parameter relaxation process, thus two relaxation times are obtained and which are used to obtain an expression for the sound attenuation coefficient (α)$\left(\alpha \right)$. Our investigations revealed that only one peak is obtained near _Tt$T_t$ and three peaks are found near _Tc$T_c$ when the Onsager coefficient is varied at a given constant frequency for q=3$q=3$. Fixing the Onsager coefficient and varying the frequency always leads to two peaks for q=3,4$q=3,4$ and 6 near _Tc$T_c$. The sound attenuation peaks are observed near _Tt$T_t$ at lower values of external magnetic field, but as it increases the sound attenuation peaks decrease and eventually disappear.     

TiO2 embedded hydrothermally synthesized carbon composite as interlayer for lithium-sulfur batteries

Journal of Solid State Electrochemistry - Lithium-sulfur battery chemistry is one of the best alternatives to meet the demand of future electric vehicles providing high theoretical capacity and...     

Bis{[μ‐N,N′‐bis­(salicyl­idene)‐1,4‐butane­di­amine‐N,N′,O,O′‐copper(II)]‐μ‐chloro‐chloromercury(II)}

A new tetranuclear Cu^II–Hg^II–Hg^II–Cu^II complex, [Cu₂Hg₂Cl₄(C₁₈H₁₈N₂O₂)₂], has been prepared by means of a copper complex found in the literature. The molecular structure of this complex was determined by X‐ray diffraction and the Cu–Hg–Hg–Cu chain was seen to be non‐linear. The change in magnetic susceptibility with temperature was recorded for this complex and observed to abide by the Curie–Weiss law. The coordination around the Hg^II ions is square pyramidal. The Cu?Hg bridging distance is 3.5269 (7) Å.     

Enantioselective Brønsted acid catalyzed transfer hydrogenation: organocatalytic reduction of imines

The first enantioselective Br?nsted acid catalyzed reduction of imines has been developed. This new organocatalytic transfer hydrogenation of ketimines with Hantzsch dihydropyridine as the hydrogen source offers a mild method to various chiral amines with high enantioselectivity. The stereochemistry of the chiral amines can be rationalized by a stereochemical model derived from an X-ray crystal structure of a chiral BINOL phosphate catalyst. [reaction: see text]     

Use of silane coupling agents to improve epoxy-rubber interface

Scrap car tyre particles can be used as filler or toughening agent in rigid epoxy matrices if the resultant interface is adequate. The objective of this work was to investigate the effects of use of different silane coupling agents (SCAs) to improve the interface between the epoxy resin and recycled rubber particles. For this purpose, seven different SCA were used to modify surfaces of the rubber particles. After the preparation of epoxy-rubber specimens, tensile Charpy impact and plane-strain fracture toughness tests were conducted. Mechanical tests and fractographic studies revealed that some of the SCA can improve of the interface between the epoxy matrix and the rubber particles leading to increases in strength while slight decreases in toughness of the samples.