A meshfree method for the numerical solution of the RLW equation

In this paper, we present a meshfree technique for the numerical solution of the regularized long wave (RLW) equation. This approach is based on a global collocation method using the radial basis functions (RBFs). Different kinds of RBFs are used for this purpose. Accuracy of the new method is tested in terms of _L2$L_2$ and _L∞$L_{\infty }$ error norms. In case of non-availability of the exact solution, performance of the new method is compared with existing methods. Stability analysis of the method is established. Propagation of single and double solitary waves, wave undulation, and conservation properties of mass, energy and momentum of the RLW equation are discussed.     

IRAS investigation of a catenane adsorption on Au(1 1 1)

The adsorption of a benzylic amide [2]catenane on a Au(1 1 1) single crystal has been studied using infrared reflection absorption spectroscopy. The evolution of the infrared spectra during catenane deposition at different temperatures of the gold substrate (300 and 90 K) has been compared. Evidence of the catenane deformation upon chemisorption have been found at 300 K only. At 90 K the catenane is weakly adsorbed without any deformation.     

Fenofibric acid

Unlike the related fenofibrate molecule [Henry, Zhang, Gao & Bruckner (2003). Acta Cryst. E 59 , o699–o700], fenofibric acid {systematic name: 2‐[4‐(4‐chlorobenzoyl)phenoxy]‐2‐methylpropanoic acid}, C₁₇H₁₅ClO₄, contains a carboxylic acid moiety instead of an ester moiety. This polar moiety plays an important role in the formation of a rare acid‐to‐ketone hydrogen‐bond‐type packing interaction. The lack of an isopropyl group in fenofibric acid aligns the carboxyl group on the same side as the ketone carbonyl group; this conformation may play an important role in discrimination between the acid and the fenofibrate mol­ecule in molecular recognition.     

怀孕期头发中一些元素含量的变化趋势

用同步辐射激发X射线荧光分析,对11个产妇怀孕期间头发内一些元素含量的变化趋势进行了测量,在各自对比的基础上,得到了一些结果。     

阳离子表面活性剂三甲基溴化铵与硝酸铵相互作用的表面和热力学研究

本文系统研究了阳离子表面活性剂三甲基溴化铵和硝酸铵盐的表面现象和自聚集行为. 采用电导法和表面张力法研究在不同温度下阳离子表面活性剂三甲基溴化铵的表面性质和热力学性质. 通过表面张力测定得到临界胶束浓度、吸附自由能、胶束化的自由能、最小分子面积和表面过量浓度. 该研究表明,胶束化过程是自发放热反应. 电导测定结果确定了临界胶束浓度、电离程度和反离子结合度. 加入硝酸铵盐至表面活性剂溶液后,临界胶束浓度降低,电离程度和反离子结合度增加,更加有利于胶束化过程的自发. 该研究对进一步理解电解质和表面活性剂之间相互作用具有重要意义.     

Bioactive Heteroleptic Bismuth(V) Complexes: Synthesis,Structural Analysis and Binding Pattern Validation

Heteroleptic triorganobismuth (V) complexes of general formula, R₃Bi(OOCR')₂ ( 1 – 7 ), where R = C₆H₅ ( 1 – 3 ), p‐CH₃C₆H₄ ( 4 – 7 ) and R' = 3,5‐Cl₂C₆H₃ ( 1 , 5 ); 3,4,5‐(OCH₃)₃C₆H₂ ( 2 , 6 ); 3‐CH₃C₆H₄ ( 3 , 7 ); 2‐OH‐3‐OCH₃C₆H₃ ( 4 ) have been synthesized and fully characterized by FT‐IR, ¹H &¹³C NMR spectroscopy, single crystal X‐ray crystallography and elemental analysis. The molecular geometry observed for the compounds is predominantly distorted trigonal bipyramidal, the fact which was subsequently authenticated through X‐ray analyses for ( 1 – 4 ). All the synthesized compounds have been bio‐assayed for antileishmanial (Leishmania tropica KWH23) and Jack beans urease inhibitory activity, and human Lymphocytes were used to measure the general toxicity. Of these, ( 4 ) proved to be highly effective against the target species (Leishmania tropica KWH23), while being non‐toxic towards the mammalian cells at levels below 0.74 μgmL^?1, making it highly promising drug candidate. The high activities for ( 2 , 4 , and 6 ) against Jack beans Urease as compared to the reference standard demonstrate their significance in searching of therapeutic agents in future programs. The significant binding score of ( 2 & 4 ) against H. pylori in molecular docking studies further revealed their importance in future drug discovery processes.     

A mesh-free method for the numerical solution of the KdV–Burgers equation

This paper formulates a simple classical radial basis functions (RBFs) collocation (Kansa) method for the numerical solution of the nonlinear dispersive and dissipative KdV–Burgers’ (KdVB) equation. The computed results show implementation of the method to nonlinear partial differential equations. This method has an edge over traditional methods such as finite-difference and finite element methods because it does not require a mesh to discretize the problem domain, and a set of scattered nodes in the domain of influence provided by initial data is required for the realization of the method. Accuracy of the method is assessed in terms of error norms _L2,_L∞$L_2\text{,}{L}_{\infty }$, number of nodes in the domain of influence, parameter dependent RBFs and time step length. Numerical experiments demonstrate accuracy and robustness of the method for solving nonlinear dispersive and dissipative problems.     

Active and passive controls of nanoparticles in Maxwell stagnation point flow over a slipped stretched surface

A steady stagnation-point flow of an incompressible Maxwell fluid towards a linearly stretching sheet with active and passive controls of nanoparticles is studied numerically. The momentum equation of the Maxwell nanofluid is inserted with an external velocity term as a result of the flow approaches the stagnation point. Conventional energy equation is modified by incorporation of nanofluid Brownian and thermophoresis effects. The condition of zero normal flux of nanoparticles at the stretching surface is defined to impulse the particles away from the surface in combination with nonzero normal flux condition. A hydrodynamic slip velocity is also added to the initial condition as a component of the entrenched stretching velocity. The governing partial differential equations are then reduced into a system of ordinary differential equations by using similarity transformation. A classical shooting method is applied to solve the nonlinear coupled differential equations. The velocity, temperature and nanoparticle volume fraction profiles together with the reduced skin friction coefficient, Nusselt number and Sherwood number are graphically presented to visualize the effects of particular parameters. Temperature distributions in passive control model are consistently lower than in the active control model. The magnitude of the reduced skin friction coefficient, Nusselt number and Sherwood number decrease as the hydrodynamic slip parameter increases while the Brownian parameter has negligible effect on the reduced heat transfer rate when nanoparticles are passively controlled at the surface. It is also found that the stagnation parameter contributes better heat transfer performance of the nanofluid under both active and passive controls of normal mass flux.     

Nanoemulsification Improves the Pharmaceutical Properties and Bioactivities of Niaouli Essential Oil (Melaleuca quinquenervia L.)

We develop a suitable delivery system for niaouli essential oil (NEO) using a nanoemulsification method for acne vulgaris. Prepared nanoemulsions (NEs) were characterized for droplet dimension, rheology, surface charge, and stability. The ability of NEO formulations against Propionibacterium acnes and Staphylococcus epidermidis was investigated and all formulations showed antiacne potential in vitro. Ex vivo permeation studies indicated significant improvement in drug permeations and steady state flux of all NEO-NEs compared to the neat NEO (p < 0.05). On the basis of the studied pharmaceutical parameters, enhanced ex vivo skin permeation, and marked effect on acne pathogens, formulation NEO-NE₄ was found to be the best (oil (NEO; 10% v/v); Kolliphor EL (9.25% v/v), Carbitol (27.75% v/v), and water (53% v/v)). Concisely, the in vitro and ex vivo results revealed that nanoemulsification improved the delivery as well as bioactivities of NEO significantly.