Determination of Chlorpromazine Hydrochloride with a Layered Double Hydroxide Modified Glassy Carbon Electrode as a Nanocatalyst

We report a simple and sensitive voltammetric sensor for the determination of chlorpromazine (CPZ) based on Ni?Al layered double hydroxide (NiAlLDH) modified glassy carbon electrode (GCE). NiAlLDH was simply electrodeposited on GCE surface in a very short time. The response linear range was 1×10^?3–1×10^?9 mol L^?1, with a detection limit of 1×10^?9 mol L^?1. The NiAlLDH film showed well defined and well separate peaks for dopamine, ascorbic acid, uric acid and CPZ in the same solution. The proposed electrode was used to measure the active pharmaceutical ingredient of CPZ tablet as a real sample.     

Growth and structural properties of Mg(N) (N = 10-56) clusters: density functional theory study

Using the minima hopping global geometry optimization method on density functional potential energy surface, we have studied the structural and electronic properties of magnesium clusters for a size range of Mg(N) where N = 10-56. Our exhaustive search reveals that most of our global minima are nonsymmetric in the size range above N = 20. We elucidate the evolutionary trend of the entire series and present more details about the peculiar growth of the clusters. For N > 20, it is possible to divide the cluster into two regions: the core region and the surface region. It turns out that the growth follows a peculiar cyclic pattern where the core and surface grow alternatively. The surface energy, as a function of number of atoms shows a clear signature as the number of atoms in the core increases by one. We have also carried out stability analysis and the stable sizes(magic numbers) agree very well with the experimental magic numbers reported by Diederich [J. Chem. Phys. 2011, 134, 124302]. We point out the similarities and differences between our results and sodium clusters.     

Correlation between entanglement and spin density in nitrogen-vacancy center of diamond

Many-body wavefunctions were utilized to calculate von Neumann’s entropy as an entanglement measurement for neutral and negatively charged nitrogen vacancy (NV) centers in diamond. A generalized Hubbard Hamiltonian which considers e-e interaction terms completely was used to calculate many-electron wavefunctions of the ground and excited states. Correlation between entanglement and spin density distributed on neighboring atoms of NV is presented. The behavior of spin density and entanglement under relaxations of neighboring atoms is the same for all investigated ground and excited states. The results suggest that the spin density may be used to quantify the entanglemnt and vice versa.     

Efficient preprocessing of complex geometries for CFD simulations

Preprocessing remains one the main bottlenecks in the computational fluid Dynamics simulations of flows involving complex geometries as advances in the algorithm development, turbulence modelling and parallel computing are made. To this end, two approaches are presented here to efficiently deal with complex geometries in order to reduce the preprocessing time and manual effort. First, a hybrid blocking approach, combining the medial axis-based method with level set iso-surface is presented to aid the block topology generation for subsequent structured meshing of complex 3D external flow domains. Secondly, a hierarchical geometry handling approach is demonstrated which makes use of the lower order modelling, overset meshes and zonal blocking for efficient preprocessing. Typical external aerodynamics cases have been showcased to describe how such techniques can be used to address modern challenges in the preparation of complex geometries for flow simulations.     

The role of folic acid in inducing of apoptosis by zinc(II) complex in ovary and cervix cancer cells

Molecular Diversity - Herein, the synthesis, structure, binding affinity, cytotoxicity, and apoptotic properties of the new Zn(II) complex composed of folic acid and bipyridine ligands are...     

Calculation of Viscosity and Diffusion Coefficients for Two Binary Gaseous Mixtures Using the Semi-empirical Inversion Method

The accurate reduced potential energies for two binary gas mixtures including benzene-methanol and methane-tetrafluoromethane at low density have been obtained by direct inversion of the viscosity collision integral equations. The kinetic theory along with the extended principle of corresponding-states has been used to calculate the viscosity and dif-fusion coefficients over a wide range of temperature and composition. Good agreements between calculated and experimental data are obtained.     

An Analytical Solution for Capillary Gravity Drainage with Dominant Viscous Forces

The development of the capillary fringe during gravity drainage has a significant influence on saturation and pressure distributions in porous formations (Sarkarfarshi et al. in Int J Greenh Gas Control 23:61–71, 2014). This paper introduces an analytical solution for gravity drainage in an axisymmetric geometry with significant capillary pressure. The drainage process results from the injection of a lighter and less viscous injectant into a porous medium saturated with a heavier and more viscous pore fluid. If the viscous force dominates the capillary and the buoyancy forces, then the flow regime is approximated by differential equations and the admissible solution comprises a front shock wave and a trailing simple wave. In contrast to existing analytical solutions for capillary gravity drainage problems (e.g., Nordbotten and Dahle in 47(2) 2011; Golding et al. in J Fluid Mech 678:248–270 2011), this solution targets the saturation distribution during injection at an earlier point in time. Another contribution of this analytical solution is the incorporation of a completely drained flow regime close to the injection well. The analytical solution demonstrates the strong dependency of the saturation distribution upon relative permeability functions, gas entry capillary pressure, and residual saturation. The analytical results are compared to results from a commercial reservoir engineering software package (\(\hbox {CMG } \hbox {STARS}^{\mathrm{TM}}\)).     

Electrochemical Pseudocapacitors Based on Ternary Nanocomposite of Conductive Polymer/Graphene/Metal Oxide: An Introduction and Review to it in Recent Studies

This review gives an overview of the synthesis, surface and electrochemical investigations over ternary nanocomposite of conductive polymers in the development of new supercapacitors. They utilize both Faradaic and non‐Faradaic procedures to store charge, leading to higher specific capacitance and energy density, higher cell voltage, longer life cycle and moderated power density. Owing to a unique combination of features such as superb electrical conductivity, corrosion resistance in aqueous electrolytes, highly modifiable nanostructures, long cycle life and the large theoretical specific‐surface area, the use of ternary nanocomposites as a supercapacitor electrode material has become the focus of a significant amount of current scientific researches in the field of energy storage devices. In these nanocomposites, graphene not only can be utilized to provide a substrate for growing nanostructured polymers in a polymer‐carbon nanocomposite structure in order to overcome the insulating nature of conductive polymers at dedoped states, but also is capable of providing a platform for the decoration of metal oxide nanoparticles to avoid their agglomeration. In this regard, synthesis, characterization and performance of different ternary nanocomposites of conductive polymer/graphene/metal oxide are discussed in detail. These remarkable results demonstrate the exciting commercial potential for high performance, environmentally friendly and low‐cost electrical energy storage devices based on ternary nanocomposite of conductive polymer/graphene/metal oxide.     

A quantitative study of sodium tungstate protective effect on pancreatic beta cells in streptozotocin-induced diabetic rats

Diabetes is a major public health problem. Development of new therapies that are able to improve glycemia management, cure diabetes, and can even protect from it, are of great interest. This study investigated the protective effect of sodium tungstate against STZ-induced beta-cell damages by means of stereological methods. Sixty rats were divided into six groups: control (C), tungstate-treated control (TC), STZ-induced diabetic (D), STZ-induced diabetic rats were treated by sodium tungstate from 1 week before STZ injection (TDB), food-restricted diabetic (FRD), and diabetic rats treated with sodium tungstate 1 week after STZ administration (TDA). Stereological estimation of pancreas volume, islets volume density, volume-weighted mean islets volume and mass of beta cells, islets, and pancreas and total number of islets were done. Islets volume density, volume-weighted mean islets volume, and mass of beta cells, islets, and pancreas of TDB group was significantly higher than D, FRD and TDA groups (P < 0.001) and was comparable to controls (C and TC groups). Total number of islets, pancreas wet weight and volume did not show any significant changes between these groups (P > 0.05).Results suggested that sodium tungstate preserves pancreatic beta cells from STZ-induced damages and diabetes induction in rats.