N—H⋯N and C—H⋯π inter­actions in 4‐amino‐3‐methyl‐5‐(p‐tol­yl)‐4H‐1,2,4‐triazole and 4‐amino‐3‐methyl‐5‐phenyl‐4H‐1,2,4‐triazole

The title compounds, C₁₀H₁₂N₄, (I), and C₉H₁₀N₄, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)°, respectively. In (I), mol­ecules are linked principally by N—H⋯N hydrogen bonds involving the amino NH₂ group and a triazole N atom, forming R₄⁴(20) and R₂⁴(10) rings which link to give a three‐dimensional network of mol­ecules. The hydrogen bonding is supported by two different C—H⋯π inter­actions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring mol­ecules. In (II), inter­molecular hydrogen bonds and C—H⋯π inter­actions produce R₃⁴(15) and R₄⁴(21) rings.     

An Analytical Solution and Nonlinear Regression Analysis for Sandface Temperature Transient Data in the Presence of a Near-Wellbore Damaged Zone

Throughout this study, we present a dual-continuum model of transport of the natural gas in shale formations. The model includes several physical mechanisms such as diffusion, adsorption and rock stress sensitivity. The slippage has a clear effect in the low-permeability formations which can be described by the apparent permeability. The adsorption mechanism has been modeled by the Langmuir isotherm. The porosity-stress model has been used to describe stress state of the rocks. The thermodynamics deviation factor is calculated using the equation of state of Peng–Robinson. The governing differential system has been solved numerically using the mixed finite element method (MFEM). The stability of the MFEM has been investigated theoretically and numerically. A semi-implicit scheme is employed to solve the two coupled pressure equations, while the thermodynamic calculations are conducted explicitly. Moreover, numerical experiments are performed under the corresponding physical parameters of the model. Some represented results are shown in graphs including the rates of production as well as the pressures and the apparent permeability profiles.

     

Medical imaging using capacitive micromachined ultrasonic transducer arrays

We are investigating the use of capacitive micromachined ultrasonic transducers (cMUT's) for use in medical imaging. We propose an ultrasound probe architecture designed to provide volumetric ultrasound imaging from within an endoscope channel. A complete automated experimental system has been implemented for testing the imaging performance of cMUT arrays. This PC-based system includes custom-designed circuit boards, a software interface, and resolution test phantoms. We have already fabricated 1D and 2D cMUT arrays, and tested the pulse-echo imaging characteristics of 1D arrays. Beamforming and image formation algorithms that aim to reduce the complexity of data acquisition hardware are tested via numerical simulations and using real data acquired from our system.     

Information and preference reversals in lotteries

Several approaches have been proposed for evaluating information in expected utility theory. Among the most popular approaches are the expected utility increase, the selling price and the buying price. While the expected utility increase and the selling price always agree in ranking information alternatives, Hazen and Sounderpandian [11] have demonstrated that the buying price may not always agree with the other two. That is, in some cases, where the expected utility increase would value information A more highly than information B, the buying price may reverse these preferences. In this paper, we discuss the conditions under which all these approaches agree in a generic decision environment where the decision maker may choose to acquire arbitrary information bundles.     

Synthesis of palladium complexes derived from imidazolidin‐2‐ylidene ligands and used for catalytic amination reactions

N‐Aryl amination and the Buchwald–Hartwig reaction are of great synthetic and industrial interest and scientists accept their usefulness and versatility for obtaining arylamines. In this study Ag–N‐heterocyclic carbene complexes were used as transmetallation reagents for the synthesis of Pd–N‐heterocyclic carbene complexes. The new Pd–N‐heterocyclic carbene complexes were characterized using elemental analysis and ¹H NMR, ¹³C NMR and infrared spectroscopies. The crystal structure of one, namely dichlorobis[1,3‐bis(2‐methylbenzyl)imidazolidin‐2‐yliden]palladium(II), is presented. The activity of the Pd(II) complexes in the coupling reaction of anilines or amines with bromobenzene was investigated. These complexes exhibited high catalytic activities in the direct synthesis of triarylamines and secondary amines in a single step. Copyright © 2016 John Wiley & Sons, Ltd.     

A Mach‐uniform preconditioner for incompressible and subsonic flows

In this study, a novel Mach‐uniform preconditioning method is developed for the solution of Euler equations at low subsonic and incompressible flow conditions. In contrast to the methods developed earlier in which the conservation of mass equation is preconditioned, in the present method, the conservation of energy equation is preconditioned, which enforces the divergence free constraint on the velocity field even at the limiting case of incompressible, zero Mach number flows. Despite most preconditioners, the proposed Mach‐uniform preconditioning method does not have a singularity point at zero Mach number. The preconditioned system of equations preserves the strong conservation form of Euler equations for compressible flows and recovers the artificial compressibility equations in the case of zero Mach number. A two‐dimensional Euler solver is developed for validation and performance evaluation of the present formulation for a wide range of Mach number flows. The validation cases studied show the convergence acceleration, stability, and accuracy of the present Mach‐uniform preconditioner in comparison to the non‐preconditioned compressible flow solutions. The convergence acceleration obtained with the present formulation is similar to those of the well‐known preconditioned system of equations for low subsonic flows and to those of the artificial compressibility method for incompressible flows. Copyright © 2013 John Wiley & Sons, Ltd.     

Adhesion in the contact of a spherical indenter with a layered elastic half-space

With the emergence of micro- and nano-technology, the contact mechanics of MEMS and NEMS devices and components is becoming more important. Thus it is important to gain a better understanding of the role of coatings and thin films on micro- and nano-scale contact phenomena, and to understand the interactions of measurement devices, such as an atomic force microscope (AFM), with layered media.More specifically, in this work the frictionless contact, with adhesion, between a spherical indenter and an elastic-layered medium is investigated. This configuration can be viewed as either a single contact model or as a building block of a multi-asperity rough surface contact model. As the scale decreases to the nano level, adhesion becomes an important issue. The presence of adhesion affects the relationships among the applied force, the penetration of the indenter, and the size of the contact area. This axisymmetric problem includes the effect of adhesion using a Maugis type of adhesion model. This model spans the range of the Tabor parameter between the JKR and DMT regions. The key parameters in this analysis are the elastic moduli ratio of the layer and the substrate, the dimensionless layer thickness, and the Maugis adhesion parameter. The results can be applied to a rigid or to an elastic indenter.     

Synthesis of new aryl(hetaryl)-substituted tandospirone analogues with potential anxiolytic activity via reductive Heck type hydroarylations

Tandospirone (I), developed as an anxiolytic drug, is an aryl-piperazine compound that binds to both 5-HT_1A and dopamine D4 receptors. Palladium-catalysed hydroarylation reactions of tandospirone analogues containing an oxygen bridge and 3-(trifluoromethyl)phenyl or 2,3-dichlorophenyl groups were studied in order to find a new stereoselective access to a series of new exo-aryl(hetaryl)-substituted derivatives with potential biological activity.     

One-Pot Synthesis of Mannich Bases Under Solvent-Free Conditions

A mild and practically convenient one-pot procedure for the Mannich reaction via condensation of amines, aldehydes and malonates, β-ketoesters, or β-dicarbonyl compounds has been carried out without using any organic solvent, metallic catalyst, or Lewis acids or bases at room temperature. The present protocol offers several advantages, such as goods yields, simple procedure with easy workup, and the absence of any volatile, hazardous organic solvents and metallic catalyst.     

Paal–Knorr Pyrrole Synthesis in Water

Water was a suitable medium for Paal–Knorr pyrrole cyclocondensation. Hexa-2,5-dione was reacted with several aliphatic and aromatic primary amines, affording N-substituted 2,5-dimethyl pyrrole derivatives in good to excellent yields. An efficient, green method using water either as environmentally friendly solvent or catalyst was presented.