A stability preserved time-integration method for nonlinear advection–diffusion-reaction processes

Journal of Mathematical Chemistry - A new implicit-explicit local differential transform method (IELDTM) is derived here for time integration of the nonlinear (2?+?1)-dimensional...     

The CO2 adsorption performance of aminosilane-modified mesoporous silicas

Journal of Thermal Analysis and Calorimetry - Aminosilane-modified MCM-41 and SBA-15 mesoporous silicas were synthesized using sodium silicate extracted from gold mine tailings slurry in this...     

A Bifunctional B,N-Based Asymmetric Catalytic Nitrostyrene-Michael Addition Acting through a 10-Membered Ring Cyclic Transition State

The B,N-bifunctional catalyst homoboroproline has been applied to a catalytic asymmetric nitroalkene-Michael addition to β-nitrostyrene analogues, showing broad substrate tolerance, high conversions and moderate to good asymmetric induction. The ability of homoboroproline to act as an efficient catalyst based on enamine-formation of the secondary amine, coupled with intramolecular Lewis-acid chelation of the nitro function, in a non-FLP manner, to effect efficient and enantioselective catalysis via a proposed large 10-membered ring transition state is remarkable and reinforced by theoretical calculations.     

Impurity-related optical response in a 2D and 3D quantum dot with Gaussian confinement under intense laser field

ABSTRACT

Using the two-dimensional (2D) diagonalisation method, the impurity-related electronic states and optical response in a 2D quantum dot with Gaussian confinement potential under nonresonant intense laser field are investigated. The effects of a hydrogenic impurity on the energy spectrum and binding energy of the electron and also intersubband optical absorption are calculated. The obtained numerical results show that the degeneracies of the excited electron states are broken and the absorption spectrum exhibits a redshift with the values of the laser field. The findings indicate a new degree of freedom to tune the performance of novel optoelectronic devices, based on the quantum dots and to control their specific properties by means of intense laser field and hydrogenic donor impurity. Using the same Gaussian confinement model, the electronic properties of a confined electron in the region of a spherical quantum dot are studied under the combined effects of on-centre donor impurity and a linearly polarised intense laser radiation. The three-dimensional problem is used to theoretically model, with very good agreement, some experimental findings reported in the literature related to the photoluminescence peak energy transition.     

A One‐Pot Synthesis of N‐Aryl‐2‐Oxazolidinones and Cyclic Urethanes by the Lewis Base Catalyzed Fixation of Carbon Dioxide into Anilines and Bromoalkanes

The multicomponent assembly of pharmaceutically relevant N‐aryl‐oxazolidinones through the direct insertion of carbon dioxide into readily available anilines and dibromoalkanes is described. The addition of catalytic amounts of an organosuperbase such as Barton's base enables this transformation to proceed with high yields and exquisite substrate functional‐group tolerance under ambient CO₂ pressure and mild temperature. This report also provides the first proof‐of‐principle for the single‐operation synthesis of elusive seven‐membered ring cyclic urethanes.     

Radiation damage induced in Zircaloy-4 by 2.6 MeV proton irradiation

Journal of Radioanalytical and Nuclear Chemistry - Radiation damage induced in Zircaloy-4 by 2.6 MeV proton irradiation at low doses was studied. Our aim is to emulate the effect of...     

High‐order finite difference schemes for numerical solutions of the generalized Burgers–Huxley equation

In this article, up to tenth‐order finite difference schemes are proposed to solve the generalized Burgers–Huxley equation. The schemes based on high‐order differences are presented using Taylor series expansion. To establish the numerical solutions of the corresponding equation, the high‐order schemes in space and a fourth‐order Runge‐Kutta scheme in time have been combined. Numerical experiments have been conducted to demonstrate the high‐order accuracy of the current algorithms with relatively minimal computational effort. The results showed that use of the present approaches in the simulation is very applicable for the solution of the generalized Burgers–Huxley equation. The current results are also seen to be more accurate than some results given in the literature. The proposed algorithms are seen to be very good alternatives to existing approaches for such physical applications. © 2010 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 27: 1313‐1326, 2011     

On totalization of the Kurzweil-Henstock integral in the multidimensional space

In this paper a full totalization is presented of the Kurzweil-Henstock integral in the multidimensional space. A residual function of the total Kurzweil-Henstock primitive is defined.     

Dynamic transcritical bifurcations in a class of slow-fast predator-prey models

We study the stability loss delay phenomenon in a dynamic transcritical bifurcation in a class of three-dimensional prey and predator systems. The dynamics of the predator is assumed to be slow comparatively to the dynamics of the prey. As an application, a well-known model considered by Clark will be discussed.     

Synthesis and characterization of azo-linked Schiff bases and their nickel(II), copper(II), and zinc(II) complexes

Azo compounds were prepared by coupling of benzenediazonium chloride ions with 1-amino-2-hydroxy-4-naphthalene sulfonic acid under alkaline conditions, and Schiff bases, L_1–3 were then obtained by the condensation of 1-amino-2-hydroxy-3-(phenylazo)-4-naphthalene sulfonic acid, 1-amino-2-hydroxy-3-(4-ethylphenylazo)-4-naphthalene sulfonic acid, and 1-amino-2-hydroxy-3-(4-nitrophenylazo)-4-naphthalene sulfonic acid with salicylaldehyde. New copper(II), nickel(II), and zinc(II) complexes of the Schiff base ligands were also prepared and characterized by spectroscopic methods, magnetic measurements, elemental, and thermogravimetric analysis.