Exploration of structural and physicochemical properties of small molecules to inhibit NMDA functionality

Structural Chemistry - The N-methyl-D-aspartate (NMDA) is the family of glutamate receptor, which is involved in controlling synaptic plasticity and memory function; but overactivation of this...     

Copper-catalyzed Pummerer type reaction of α-thio aryl/heteroarylacetates: Synthesis of aryl/heteroaryl α-keto esters

A copper catalyzed Pummerer type reaction of α-thio aryl/heteroarylacetates is described for the first time. This transformation represents a new route to synthesize α-keto esters, which are important intermediates for pharmaceuticals and organic synthesis. The reaction proceeds via in situ generation of a thionium ion that undergoes hydrolysis to furnish α-keto esters in synthetically viable yields (up to 82%).     

Isochronicity and limit cycle oscillation in chemical systems

Chemical oscillation is an interesting nonlinear dynamical phenomenon which arises due to complex stability condition of the steady state of a reaction far away from equilibrium which is usually characterised by a periodic attractor or a limit cycle around an interior stationary point. In this context Lienard equation is specifically used in the study of nonlinear dynamical properties of an open system which can be utilized to obtain the condition of limit cycle. In conjunction with the property of limit cycle oscillation, here we have shown the condition for isochronicity for different chemical oscillators with the help of renormalisation group method with multiple time scale analysis from a Lienard system. When two variable open system of equations are transformed into a Lienard system of equation the condition for limit cycle and isochronicity can be stated in a unified way. For any such nonlinear oscillator we have shown the route of a dynamical transformation of a limit cycle oscillation to a periodic orbit of centre type depending on the parameters of the system.     

A new method for exact solutions of variant types of time‐fractional Korteweg‐de Vries equations in shallow water waves

The current article devoted on the new method for finding the exact solutions of some time‐fractional Korteweg–de Vries (KdV) type equations appearing in shallow water waves. We employ the new method here for time‐fractional equations viz. time‐fractional KdV‐Burgers and KdV‐mKdV equations for finding the exact solutions. We use here the fractional complex transform accompanied by properties of local fractional calculus for reduction of fractional partial differential equations to ordinary differential equations. The obtained results are demonstrated by graphs for the new solutions. Copyright © 2016 John Wiley & Sons, Ltd.     

A new numerical approach for single rational soliton solution of Chen‐Lee‐Liu equation with Riesz fractional derivative in optical fibers

In this paper, time‐splitting spectral approximation technique has been proposed for Chen‐Lee‐Liu (CLL) equation involving Riesz fractional derivative. The proposed numerical technique is efficient, unconditionally stable, and of second‐order accuracy in time and of spectral accuracy in space. Moreover, it conserves the total density in the discretized level. In order to examine the results, with the aid of weighted shifted Grünwald‐Letnikov formula for approximating Riesz fractional derivative, Crank‐Nicolson weighted and shifted Grünwald difference (CN‐WSGD) method has been applied for Riesz fractional CLL equation. The comparison of results reveals that the proposed time‐splitting spectral method is very effective and simple for obtaining single soliton numerical solution of Riesz fractional CLL equation.     

The transport dynamics in complex systems governing by anomalous diffusion modelled with Riesz fractional partial differential equations

In this paper, numerical solutions of fractional Fokker–Planck equations with Riesz space fractional derivatives have been developed. Here, the fractional Fokker–Planck equations have been considered in a finite domain. In order to deal with the Riesz fractional derivative operator, shifted Grünwald approximation and fractional centred difference approaches have been used. The explicit finite difference method and Crank–Nicolson implicit method have been applied to obtain the numerical solutions of fractional diffusion equation and fractional Fokker–Planck equations, respectively. Numerical results are presented to demonstrate the accuracy and effectiveness of the proposed numerical solution techniques. Copyright © 2016 John Wiley & Sons, Ltd.     

On the determination and construction of optimal row-column designs having unequal row and column sizes

In this paper we consider experimental situations requiring usage of a row-column design where v treatments are to be applied to experimental units arranged in b ₁ rows and b ₂ columns where row i has size k _1i , i=1,..., b ₁ and column j has size k _2j , j=1,..., b ₂. Conditions analogous to those given in Kunert (1983, Ann. Statis., 11, 247–257) and Cheng (1978, Ann. Statist., 6, 1262–1272) are given which can often be used to establish the optimality of a given row-column design from the optimality of an associated block design. In addition, sufficient conditions are derived which guarantee the existence of an optimal row-column design which can be constructed by appropriately arranging treatments within blocks of an optimal block design.Visiting from the Indian Statistical Institute.     

The effect of rapid rotation on a vertical bridgman furnace at large Rayleigh number

In quasi-steady operation, convection currents in a Bridgmandevice, used for producing a semi-conductor crystal, createinhomogeneities that may make the crystal unusable. It has oftenbeen suggested that additional forces due to rotation or magnetismmight be efficacious in reducing the segregation of the elementsof the alloy. It has been found that, over a wide range of rotationrates, there is no improvement in performance due to rotationabout the vertical axis. However, numerical results that havebeen obtained previously (Lee & Pearlstein, J. Crys. Growth240, 2002) indicate that, when effects of centrifugal buoyancyare introduced, a substantial reduction in segregation is achieved.In the work reported here, by contrast, in which we extend previouslarge-Rayleigh-number asymptotic analysis to include centrifugalbuoyancy, we find no improvement in radial segregation, butrather increasing segregation with increasing rotation rate.     

Characteristics of in-out intermittency in delay-coupled FitzHugh–Nagumo oscillators

We analyze a pair of delay-coupled FitzHugh–Nagumo oscillators exhibiting in-out intermittency as a part of the generating mechanism of extreme events. We study in detail the characteristics of in-out intermittency and identify the invariant subsets involved – a saddle fixed point and a saddle periodic orbit – neither of which are chaotic as in the previously reported cases of in-out intermittency. Based on the analysis of a periodic attractor possessing in-out dynamics, we can characterize the approach to the invariant synchronization manifold and the spiralling out to the saddle periodic orbit with subsequent ejection from the manifold. Due to the striking similarities, this analysis of in-out dynamics also explains in-out intermittency