Reversible C=C Bond Activation by an Intramolecularly Coordinated Antimony(I) Compound

The reaction of N,C,N-chelated stibinidene ArSb ( 1 ) (Ar=C₆H₃-2,6-(CH=NtBu)₂) with selected N-alkyl/aryl-maleimides RN(C(O)CH)₂ (R=Me, tBu, Ph) gave the addition products with bridged bicyclic [2.2.1] structure containing an antimony atom at the bridgehead position, fused with a 6-membered benzene and a 5-membered N-alkyl/aryl-pyrrolidine ring. These compounds were completely characterized. More importantly, additional studies showed that these reactions are reversible in solution, thereby representing an unprecedented reversible activation of a C=C bond by an antimony(I) compound.     

Synthesis and Characterization of Liquid-Crystalline Tetraoxapentacene Derivatives Exhibiting Aggregation-Induced Emission

A series of new tetrakis(dialkoxyphenyl) dicyanotetraoxapentacene derivatives ( 1 a – c ) were prepared by reaction of the appropriate terphenyl diols with tetrafluoroterephthalonitrile in good yields. Compounds 1 b and 1 c , which bear hexyloxy and decyloxy side chains, exhibited columnar hexagonal mesophases, as shown by polarized optical microscopy, variable-temperature powder X-ray diffraction, and differential scanning calorimetry. Single-crystal X-ray diffraction of methoxy-substituted 1 a revealed that the dicyanotetraoxapentacene core is highly planar, consistent with the notion that these molecules are able to stack in columnar mesophases. A detailed photophysical characterization showed that these compounds exhibit aggregation-induced emission in solution, emission in nonpolar solvents, weak emission in polar solvents, and strong emission in the solid state both as powder and in thin films. These observations are consistent with a weakly emissive charge-transfer state in polar solvents and a more highly emissive locally excited state in nonpolar solvents.     

Non-isothermal degradation kinetics of PLA-functionalized gum (fG) biocomposite with dicumyl peroxide (DCP)

Journal of Thermal Analysis and Calorimetry - In the present investigation, gene expression programming (GEP) is used to predict thermal conductivity of nanofluids consisting of $$hbox {Al}_2hbox...     

Catalytically Active Hollow Fiber Membranes with Enzyme-Embedded Metal–Organic Framework Coating

Metal–organic frameworks (MOFs) are suitable enzyme immobilization matrices. Reported here is the in situ biomineralization of glucose oxidase (GOD) into MOF crystals (ZIF-8) by interfacial crystallization. This method is effective for the selective coating of porous polyethersulfone microfiltration hollow fibers on the shell side in a straightforward one-step process. MOF layers with a thickness of 8 μm were synthesized, and fluorescence microscopy and a colorimetric protein assay revealed the successful inclusion of GOD into the ZIF-8 layer with an enzyme concentration of 29±3 μg cm⁻². Enzymatic activity tests revealed that 50 % of the enzyme activity is preserved. Continuous enzymatic reactions, by the permeation of β-d -glucose through the GOD@ZIF-8 membranes, showed a 50 % increased activity compared to batch experiments, emphasizing the importance of the convective transport of educts and products to and from the enzymatic active centers.     

L-argininato copper(II) complexes in solution exert significant selective anticancer and antimicrobial activities

A search for new drugs that overcome the multidrug resistance of microorganisms or are effective against cancer cells prompted us to investigate the binary and ternary Cu(II) complexes containing L-arginine, [CuCl(L-Arg)(phen)]Cl·2H₂O (phen = 1,10-phenanthroline) ( 1 ) and [Cu(L-Arg)₂(H₂O)]C₂O₄·6H₂O ( 2 ), for which crystal and molecular structures were characterized previously. In order to discuss the biological function, the complexes have been screened for their antitumor activity against A549 (human lung cancer cells), HepG2 (human liver hepatocellular carcinoma cells) and antimicrobial activity. To identify the complexes forms existing in the solutions of 1 and 2 crystals, the results obtained from EPR, NIR–Vis–UV and MS (mass spectrometry) measurements were correlated with those from analysis of potentiometric titration of Cu(II)―L-Arg and Cu(II)―L-Arg―phen systems. This comprehensive study indicated that the [Cu(L-Arg)(phen)]²⁺ and [Cu(L-Arg)₂]²⁺ species are dominant in the solution. Complexes 1 and 2 were found to present specific ligand-dependent cytotoxic and antiproliferative potential against cancer cells. They also show antibacterial activity against Gram-positive and Gram-negative bacteria as well as display antifungal properties.     

Computation and conversion of brain pH values obtained with two algorithms of phosphorus magnetic resonance spectroscopy data analysis

The intracellular brain pH in phosphorus magnetic resonance spectroscopy is calculated using the chemical shift between the inorganic phosphate and phosphocreatine with the Henderson–Hasselbalch equations. Researchers use various mathematical formulas that have different parameters and get various results for the same input data as a consequence. Thus, the aim of this article was to determine the mathematical formulas that allow the conversion of the pH values obtained by the most popular analysis methods to each other. To determine the relationships between pH results and the applied mathematical formula, the pH values were calculated using two algorithms for the theoretical chemical shift values. The pH results were compared with each other using the appropriate t-tests. Mathematical formulas were designed to simplify the conversion of pH values obtained by two data analysis methods to each other. The pH values with were obtained this way did not differ significantly from the pH values calculated directly from the given formula. The computed mathematical formulas will make it possible to simplify pH conversions without knowing the chemical shift between inorganic phosphate and phosphocreatine but only basing on the final pH values obtained by one of the formulas.     

Regioselective formation of β‐(E)‐ and α‐alkenylsilane moiety attached to silsesquioxane core via Pt‐ and Ru‐based hydrosilylation

The first attempts to use ethynylsiloxysilsesquioxanes as reagents for hydrosilylation in the presence of Pt‐ and Ru‐based catalysts are reported. The results obtained strongly depend on the catalytic system used. The catalysts are proved to promote regioselective introduction of β‐(E)‐ and α‐fragments of the alkenylsilane group to the silsesquioxane core. The favourable features of these catalytic systems are their high selectivity and the requirement for relatively mild conditions. This methodology was also successfully applied to dihydro‐substituted organosilicon compounds to obtain a new class of silsesquioxane‐based compounds.     

Thermal,Raman and dielectric study of 0.5K0.5Bi0.5TiO3–0.5PbTiO3 ceramics

The 0.5K_0.5Bi_0.5TiO₃–0.5PbTiO₃ ceramics were prepared by following a standard solid-state method. The Raman, thermal and dielectric properties of these ceramics were investigated. The X-ray measurements showed that samples have single perovskite-type structure with tetragonal symmetry. Dielectric study revealed that the dielectric behaviour of the investigated ceramics is rather of normal ferroelectrics with large thermal hysteresis. The transition temperature observed by means of differential scanning calorimetry measurements is in good agreement with that obtained from dielectric study.     

Space-time discontinuous Galerkin method for the solution of fluid-structure interaction

The paper is concerned with the application of the space-time discontinuous Galerkin method (STDGM) to the numerical solution of the interaction of a compressible flow and an elastic structure. The flow is described by the system of compressible Navier-Stokes equations written in the conservative form. They are coupled with the dynamic elasticity system of equations describing the deformation of the elastic body, induced by the aerodynamical force on the interface between the gas and the elastic structure. The domain occupied by the fluid depends on time. It is taken into account in the Navier-Stokes equations rewritten with the aid of the arbitrary Lagrangian-Eulerian (ALE) method. The resulting coupled system is discretized by the STDGM using piecewise polynomial approximations of the sought solution both in space and time. The developed method can be applied to the solution of the compressible flow for a wide range of Mach numbers and Reynolds numbers. For the simulation of elastic deformations two models are used: the linear elasticity model and the nonlinear neo-Hookean model. The main goal is to show the robustness and applicability of the method to the simulation of the air flow in a simplified model of human vocal tract and the flow induced vocal folds vibrations. It will also be shown that in this case the linear elasticity model is not adequate and it is necessary to apply the nonlinear model.