Design and synthesis of new 2-substituted-5-[2-(2-halobenzyloxy)phenyl]-1,3,4-oxadiazoles as anticonvulsant agents

A new series of 2-substituted-5-[2-(2-halobenzyloxy)phenyl]-1,3,4-oxadiazoles was designed and synthesized as anticonvulsant agents. Electroshock and pentylenetetrazole-induced lethal convulsion tests showed that the introduction of an amino group at position 2 of 1,3,4-oxadiazole ring and a fluoro substituent at ortho position of benzyloxy moiety had the best anticonvulsant activity. Our results showed that this effect is mediated through benzodiazepine receptors mechanism.     

Synthesis and Characterization of New Polymer Systems Containing 4‐Silylmethylstyrene Units

A series of terpolymers containing silyl pendant groups were prepared by free radical cross‐linking copolymerization. Et₃Si and HMe₂Si were covalently linked with 4‐vinylbenzyl and abbreviated as TESiMSt and DMSiMSt, respectively. Et₃Si was covalently linked with 2‐hydroxyethyl methacrylate (HEMA). The silyl‐linked HEMA are abbreviated as TESiEMA. Free radical terpolymerization of the methacrylic acid (MAA) with different molar ratios of organosilyl monomers was carried out at 60–70 °C. The compositions of the polymers were determined by FT‐IR spectroscopy and ¹H‐NMR. The glass transition temperature (Tg) of the polymers was determined calorimetrically. The study of DSC curves showed that incorporation of monomers with cyclic units in polymer chains increases the rigidity of terpolymers and the Tg value is subsequently increased.     

Assessment of operating parameters for photocatalytic degradation of a textile dye by Fe<Subscript>2</Subscript>O<Subscript>3</Subscript>/TiO<Subscript>2</Subscript>/clinoptilolite nanocatalyst using Taguchi experimental design

In the current study, a nanophotocatalyst doped with of TiO₂ and Fe₂O₃ nanoparticles supported on Iranian clinoptilolite was synthesized and characterized by XRD, XRF, SEM, and EDX analyses. The results suggested the successful loading of TiO₂ and Fe₂O₃ nanoparticles onto the surface of clinoptilolite. The SEM images confirmed the average size of nanoparticles deposited on zeolite, which was about 20–40 nm. Furthermore, application of the synthesized photocatalyst in photocatalytic degradation of Acid Black 172 dye was studied using the Taguchi method and the chosen parameters were as follows: pH (2–7), dye concentration (50–200 mg/l), irradiation time (30–120 min), and catalyst dosage (0.5–1.5 g/l). The results indicate that dye concentration, pH, and irradiation time are respectively the most effective factors in these experiments while with the minimum dosage of the catalyst (0.5 g/l), up to 90 % removal efficiency could be achieved. The optimum value for each parameter was pH = 2, dye concentration = 50 mg/l, catalyst dosage = 1 g/l and irradiation time = 60 min, and the dye removal efficiency reached up to 100 % at these optimal conditions. Furthermore, after five-times recycling and reusing the catalyst, the efficiency of the photocatalytic degradation was reduced from 91.5 to 65.9 %, which is still an acceptable value.     

Effect of nano‐modified SiO2/Al2O3 mixed‐matrix micro‐composite fillers on thermal,mechanical, and tribological properties of epoxy polymers

Thermo‐mechanically durable industrial polymer nanocomposites have great demand as structural components. In this work, highly competent filler design is processed via nano‐modified of micronic SiO₂/Al₂O₃ particulate ceramics and studied its influence on the rheology, glass transition temperature, composite microstructure, thermal conductivity, mechanical strength, micro hardness, and tribology properties. Composites were fabricated with different proportions of nano‐modified micro‐composite fillers in epoxy matrix at as much possible filler loadings. Results revealed that nano‐modified SiO₂/Al₂O₃ micro‐composite fillers enhanced inter‐particle network and offer benefits like homogeneous microstructures and increased thermal conductivity. Epoxy composites attained thermal conductivity of 0.8 W/mK at 46% filler loading. Mechanical strength and bulk hardness were reached to higher values on the incorporation of nano‐modified fillers. Tribology study revealed an increased specific wear rate and decreased friction coefficient in such fillers. The study is significant in a way that the design of nano‐modified mixed‐matrix micro‐composite fillers are effective where a high loading is much easier, which is critical for achieving desired thermal and mechanical properties for any engineering applications. Copyright © 2016 John Wiley & Sons, Ltd.     

Controlled-release of drugs from cross-linked polymers containing cubane as a crosslinking agent

Two anti-inflammatory drugs, indomethacin and aspirin together with cubane-1, 4-dicarboxylic acid (CDA) were covalently linked with 2-hydroxyethyl methacrylate (HEMA). The drug-linked HEMA (indomethacin-linked HEMA) is abbreviated as HI, aspirin-linked HEMA as HA and cubane-1, 4-dicarboxylic acid (CDA) linked to two HEMA group is the cross-linking agent (CA). A difunctional spacer group was introduced between the drugs and acrylic moiety of the monomer through a hydrolyzable ester linkage. Free radical cross-linking polymerization of the monomers with drug effect was carried out in dioxane solution at various CA ratios, using AIBN as initiator in the temperature range 60-70°C. The compositions of the cross-linked three-dimensional polymers were determined by FT-IR spectroscopy. The glass transition temperature (Tg) of the network polymers was determined calorimetrically. The hydrolysis of drug-polymer conjugates was carried out in cellophane membrane dialysis bags containing an aqueous buffer solution (pH 8 and pH 1) at 37°C. Detection of the hydrolysis product by UV spectroscopy shows that the drugs were released by hydrolysis of the ester bond located between the drug and spacer group.     

Design and synthesis of benzodiazepine-1,2,3-triazole hybrid derivatives as selective butyrylcholinesterase inhibitors

Molecular Diversity - A new series of compounds based on benzodiazepine-1,2,3-triazole were synthesized and evaluated as cholinesterase inhibitors by Ellman’s method. The compounds proved to...     

Constraints on neutron skin thickness and symmetry energy of ~(208)Pb through Skyrme forces and cluster model

We used the cluster structure properties of the 212Po to estimate the neutron skin thickness of 208Pb.For this purpose,we considered two important components:(a)alpha decay is a low energy phenomenon;therefore,one can expect that the mean-field,which can explain the ground state properties of 212Po,does not change during the alpha decay process.(b)212Po has a high alpha cluster-like structure,two protons and two neutrons outside its core nucleus with a double magic closed-shell,and the cluster model is a powerful formalism for the estimation of alpha decay preformation factor of such nuclei.The slope of the symmetry energy of 208Pb is estimated to be 75±25 MeV within the selected same mean-fields and Skyrme forces,which can simultaneously satisfy the ground-state properties of parent and daughter nuclei,as their neutron skin thicknesses are consistent with experimental data.     

Third Order Lagrangians, Weyl Invariants and Classical Trace Anomaly in Six Dimensions

We have proceeded the analogy (represented in our previous works) of the Einstein tensor and the alternative form of the Einstein field equations for the generic coefficients of the eight terms in the third order of the Lovelock Lagrangian. We have found the constraint between the coefficients into two forms, an independent and a dimensional dependent versions. Each form has three degrees of freedom, and not only the exact coefficients of the third order Lovelock Lagrangian do satisfy the two forms of the constraints, but also the two independent cubic of the Weyl tensor satisfy the independent constraint in six dimensions and yield the dimensional dependent version identically independent of the dimension. Then, we have introduced the most general effective expression for a total third order type Lagrangian with the homogeneity degree number three which includes the previous eight terms plus the new three ones among the all seventeen independent terms. We have proceeded the analogy for this combination, and have achieved the relevant constraint. We have shown that the expressions given in the literature as the third Weyl-invariant combination in six dimensions do satisfy this constraint. Thus, we suggest that these constraint relations to be considered as the necessary consistency conditions on the numerical coefficients that a Weyl-invariant in six dimensions should satisfy. Finally, we have calculated the “classical” trace anomaly (an approach that was presented in our previous works) for the introduced total third order type Lagrangian and have achieved a general expression with four degrees of freedom in more than six dimensions (three degrees in six dimensions). Then, we have demonstrated that the resulted expression contains exactly the relevant coefficient of the Schwinger–DeWitt proper time method (that linked with the relevant heat kernel coefficient) in six dimensions, as a particular case. Of course, this result is a necessary consistency check, nevertheless our approach can be regarded as an alternative (perhaps simpler, and classical) derivation of the trace anomaly which also gives a general expression with the relevant degrees of freedom.     

Modeling and numerical simulation of blood flow using the theory of interacting continua

In this paper we use a modified form of the mixture theory developed by Massoudi and Rajagopal to study the blood flow in a simple geometry, namely flow between two plates. The blood is assumed to behave as a two-component mixture comprised of plasma and red blood cells (RBCs). The plasma is assumed to behave as a viscous fluid whereas the RBCs are given a granular-like structure where the viscosity also depends on the shear-rate.