Highly efficient and easy synthesis of 2,4,6-triarylpyridines catalyzed by pentafluorophenylammonium triflate(PFPAT) as a new recyclable solid acid catalyst in solvent-free conditions

Pentafluorophenylammonium triflate(PFPAT) was found to be a highly efficient catalyst for the preparation of 2,4,6- triarylpyridines from the reaction of acetophenone derivatives,aromatic aldehydes and ammonium acetate.Present methodology offers several advantages,such as short reaction time,high yields,simple procedure with an easy work-up and the absence of any volatile and hazardous organic solvent.In addition,this catalytic system can act as an active,inexpensive,metal-free,recoverable and recyclable catalyst.     

Synthesis of Novel Tris-1,2,4-triazole Derivatives and Their Antibacterial Activity

Russian Journal of Organic Chemistry - A series of novel 3,3′,3″-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]tris(5-aryl-1H-1,2,4-triazole-1-carbothioamide) derivatives were designed and...     

A New Two-Stage Algorithm for Solving Optimization Problems

Optimization seeks to find inputs for an objective function that result in a maximum or minimum. Optimization methods are divided into exact and approximate (algorithms). Several optimization algorithms imitate natural phenomena, laws of physics, and behavior of living organisms. Optimization based on algorithms is the challenge that underlies machine learning, from logistic regression to training neural networks for artificial intelligence. In this paper, a new algorithm called two-stage optimization (TSO) is proposed. The TSO algorithm updates population members in two steps at each iteration. For this purpose, a group of good population members is selected and then two members of this group are randomly used to update the position of each of them. This update is based on the first selected good member at the first stage, and on the second selected good member at the second stage. We describe the stages of the TSO algorithm and model them mathematically. Performance of the TSO algorithm is evaluated for twenty-three standard objective functions. In order to compare the optimization results of the TSO algorithm, eight other competing algorithms are considered, including genetic, gravitational search, grey wolf, marine predators, particle swarm, teaching-learning-based, tunicate swarm, and whale approaches. The numerical results show that the new algorithm is superior and more competitive in solving optimization problems when compared with other algorithms.     

BCS Effect on Quantum Correlation and Tripartite Quantum Entanglement in Spinless Gapless Tomonaga-Luttinger Liquid and Cuprate Superconducting Nanowire

It has been known that quantum information offers powerful instruments to investigate the properties of many-body systems. In this framework, we touched two particular aspect of this activity, namely the quantum entanglement and discord to compare the properties of gapless Tomonaga-Luttinger Liquid (TLL) model and the effect of BCS coupling in spinless fermions of TLL as a cuprate superconducting nanowire. Using two-fermion space-spin density matrix, we investigate quantum correlation of these cases via bipartite and tripartite entanglement, as well as quantum discord. The relations of concurrence (as a measure of quantum entanglement), the lower bound of the generalized robustness of tripartite entanglement and quantum discord in terms of the relative distance between fermions and the coupling parameter were accordingly obtained. The relationship between the compressibility as a physical property of system and quantum correlations has also been studied.

     

Direct determination of the thermodynamics of polyelectrolyte complexation and implications thereof for electrostatic layer-by-layer assembly of multilayer films

Interpolyelectrolyte complex (IPEC) formation between poly(styrene sulfonate) (PSS) and poly(allylamine hydrochloride) (PAH) has been studied over a range of ionic strengths by isothermal titration calorimetry (ITC), turbidity titration, and electrostatic layer-by-layer assembly (ELBL). The results indicate that IPEC formation of PSS/PAH in aqueous solution is predominantly entropy-driven. The thermodynamic parameters suggest the formation of different types of complexes and aggregates due to salt-induced conformational changes in the polyelectrolyte conformation. Differences in polyelectrolyte behavior in the different salt-concentration regimes are described in terms of changes in the Debye screening length of the polyelectrolytes. The relationship of the results to the effect of salt concentration on the assembly of polyelectrolyte multilayer films (PEMs) is discussed.     

Synthesis and in vitro anti-Toxoplasma gondii activity of a new series of aryloxyacetophenone thiosemicarbazones

Molecular Diversity - A new series of aryloxyacetophenone thiosemicarbazones 4a–q have been synthesized as anti-Toxoplasma gondii agents. All compounds showed significant inhibitory activity...     

An implicit 2D hydrodynamic numerical model for free surface–subsurface coupled flow problems

A 2‐dimensional hydrodynamic finite volume model has been proposed for simultaneous simulation of free surface and saturated porous media. The governing equations of the former are 2‐dimensional averaged in a unit width of Navier‐Stokes, whereas that of the latter are Darcy law. An efficient, simple, and stable algorithm has been proposed to track the surface elevation in Cartesian coordinate system by which the water elevation in each computational column has been computed along with the other pressure unknowns simultaneously. The surface position has not been considered to remain in a specific layer so the number of cells in each column have been variably adjusted in accordance with the water surface elevation. Performance of the coupled model has been validated against a range of hydrodynamic problems including propagation of linear short wave, seepage test, tidal oscillation in a lagoon system, gravity current, and saltwater intrusion. Comparison between numerical results, analytical solutions, and experimental data demonstrates that the model represents well the interacting surface water and ground water flow and solute transport processes.     

A new approach to solving Poisson system for free surface nonhydrostatic flow simulations

A nonhydrostatic finite volume model is presented to simulate free surface flow in a two‐dimensional vertical plane. The algorithm is based on a projection method including the solution of the pressure Poisson equation (PPE). The model is developed in a Cartesian grid in which the size of all the cells in the computational domain, excluding those of the top layer, is constant in time. To simulate the variable water surface, the heights of the top layer cells are variable and proportional to the local water elevation. Taking the layout of the grid system into consideration, a new method is proposed to solve the PPE derived in Cartesian coordinates. In this method, the system of pressure equations is divided into two subsystems, namely a subsystem for the upper layer cells and another for the remaining cells. The coefficient matrix of the former is variable with respect to time, whereas that of the latter remains constant. Therefore, the coefficient matrix of the latter subsystem can be inversed once and saved throughout the simulation. The application of this procedure reduces the computational cost compared with other PPE solvers in certain conditions. The model is applied to simulate a series of numerical tests including strong vertical accelerations and is verified against analytical and experimental results, demonstrating satisfactory performance. Copyright © 2011 John Wiley & Sons, Ltd.