Theoretical study of a conjugated aromatic molecular wire

In this study, an organic conjugated molecule, 4,4′-[ethane-1,2-diylidenedi(nitrilo)] dibenzenthiol designed and is proposed as a molecular wire. Structural and electronic responses of this aromatic molecular wire to the static electric field with intensities −1.6 × 10⁻² to +1.6 × 10⁻² a.u., are studied using the DFT-B3LYP/6-31G* level of theory. Natural bond orbital atomic charge analysis shows that the imposition of static external electric field induces polarization—localization of charge on the two ends of molecule, especially on considered terminal contact sulfur atoms. The frontier molecular orbitals (MOs) energy levels including the highest occupied MO (HOMO) and the lowest unoccupied MO (LUMO) and the HOMO–LUMO gap (HLG) values are modified by the static electric field as well. The electric dipole moment and polarizability of the proposed molecular wire under the studied electric field strengths are considerably increased. The current–voltage characteristic curve is estimated for the proposed molecular wire.     

Module amenability of the second dual and module topological center of semigroup algebras

In this paper we define the module topological center of the second dual $\mathcal{A}^{**}$ of a Banach algebra $\mathcal{A}$ which is a Banach $\mathfrak{A}$ -module with compatible actions on another Banach algebra $\mathfrak{A}$ . We calculate the module topological center of ? ¹(S)^**, as an ? ¹(E)-module, for an inverse semigroup S with an upward directed set of idempotents E. We also prove that ? ¹(S)^** is ? ¹(E)-module amenable if and only if an appropriate group homomorphic image of S is finite.     

On the solution of time-fractional dynamical model of Brusselator reaction-diffusion system arising in chemical reactions

Fractional Brusselator reaction-diffusion system (BRDS) is used for modeling of specific chemical reaction-diffusion processes. It may be noted that numerous models in nonlinear science are defined by fractional differential equations (FDEs) in which an unknown function appears under the operation of a fractional-order derivative. Even though many researchers have studied the applicability and practicality of this model, the analytical approach of this model is rarely found in the literature. In this investigation, a novel semi-analytical technique called fractional reduced differential transform method (FRDTM) has been applied to solve the present model, which is characterized by the time-fractional derivative (FD). Obtained outcomes are compared with the solution of other existing methods for a particular case. Also, the convergence analysis of this model has been studied here.     

Copper-based Schiff Base Complex Immobilized on Core-shell Fe3O4@SiO2 as a magnetically recyclable and highly efficient nanocatalyst for green synthesis of 2-amino-4H-chromene derivatives

Fe₃O₄-supported copper (II) Schiff-Base complex has been synthesized through post-modification with 1,3-phenylenediamine followed by further post-modification with salicylaldehyde and coordination with Cu(II) ion. The resulted Fe₃O₄@SiO₂-imine/phenoxy-Cu(II) magnetic nanoparticles (MNPs) were characterized by various techniques including SEM, TEM, XRD, XPS, EDX, VSM, FT-IR, and ICP. The catalytic activity as a magnetically recyclable heterogeneous catalyst for one-pot, three-component synthesis of 2-amino-4H-chromene derivatives was examined. The catalyst is efficient in the reaction and can be recovered by magnetic separation and recycled several times without significant loss in the catalytic activity.     

Intake charge temperature effect on performance characteristics of direct injection low-temperature combustion engines

Journal of Thermal Analysis and Calorimetry - The low-temperature combustion (LTC) concept presents solutions for simultaneous reduction in pollution and fuel consumption of internal combustion...     

Numerical simulation of critical heat flux in forced boiling of a flow in an inclined tube with different angles

Journal of Thermal Analysis and Calorimetry - In this paper, the effect of changing tube slope on the critical heat flux for the evaporation of upward saturated flow of a liquid (water) in a...     

Phase space analysis of interacting dark energy in f(T) cosmology

In this paper, we examine the interacting dark energy model in f(T) cosmology. We assume dark energy as a perfect fluid and choose a specific cosmologically viable form f(T) = ????T. We show that there is one attractor solution to the dynamical equation of f(T) Friedmann equations. Further we investigate the stability in phase space for a general f(T) model with two interacting fluids. By studying the local stability near the critical points, we show that the critical points lie on the sheet u* = (c ? 1)v* in the phase space, spanned by coordinates (u, v, ??, T). From this critical sheet, we conclude that the coupling between the dark energy and matter c ?? (?2, 0).     

An efficient electrochemical method for the synthesis of methylene blue

An efficient and one-pot electrochemical method for the synthesis of methylene blue based on the Michael-type reaction of electrochemically generated quinone-diimine derived from oxidation of N,N-dimethyl-p-phenylenediamine in the presence of sodium sulfide as nucleophile in aqueous solution via EC-ECECC mechanism is reported.     

Electrooxidation of iodide in the presence of 4-hydroxycoumarin: application to a simple coulometric titration of 4-hydroxycoumarin.

The electrochemical oxidation of iodide ion in the presence of 4-hydroxycoumarin (1) was studied using cyclic voltammetry and controlled-potential coulometry. The result indicates that the resulting iodine takes part in a halogenation reaction and reacts with 4-hydroxycoumarin (1). According to the obtained results, a new and simple coulometric titration method with potentiometric end-point detection for the determination of 4-hydroxycoumarin (1) is presented. In the presented method, 2-200 micromol of 4-hydroxycoumarin (1) was successfully determined.