Minimum and maximum principle sufficiency properties for nonsmooth variational inequalities

This paper deals with the study of minimum and maximum principle sufficiency properties for nonsmooth variational inequalities (in short, NVI) by using gap functions. Several characterizations of these two sufficiency properties are provided. We also discuss the error bound for nonsmooth variational inequalities. Two open questions are given at the end.     

Ultrasound Irradiated Synthesis of Bis-pyrimidine Derivative in Aqueous MediA

Pyrimidine derivatives have been found to possess a broad spectrum of biological activities. Among various pyrimidine derivatives, bis-pyrimidine seems to be the rarely studied. A variety of methods have been reported for the preparation of this class of compound. However, in spite of their potential utility, some of the reported methods suffer from drawbacks such as long reaction times, cumbersome product-isolation procedures, and environmental concerns. Organic reactions in aqueous media have attracted increasing interest recently because of environmental issues and the understanding of biochemical processes. Ultrasound has increasingly been used in organic synthesis for greater yields, shorter reaction times or milder conditions.     

Isotopic characteristics of a few selected structurally controlled geothermal systems of the Western Ghats,India

The Western Ghats is the most potential area of India in terms of geothermal energy exploitation and they are characterized by numerous faults. These faults acts as conduit for the deeper circulation of the geothermal water of meteoric origin and are controlling the geothermal systems of this region. The stable isotopic composition (δ¹⁸O and δ²H) of a few selected geothermal springs and non-thermal groundwater were monitored to identify their recharge sources. Tritium in geothermal water and groundwater were also measured to evaluate their transit time and the mixing processes governing within the geothermal systems. The temperature of hot springs varies from 56 to 71 °C. The stable isotope result shows that geothermal springs have absence of magmatic component and rainwater is their recharge source. It was also established that geothermal water has not undergone much fractionation because of rock–water interaction. Tritium content of the geothermal springs are low indicate deeper circulation and longer residence time of the thermal water. Lower tritium also shows insignificant mixing with non-thermal ground water.

     

Visible light promoted formation of N─S bond by photocatalyst Eosin Y

A novel efficient protocol for the synthesis of 5-imino-1,2,4-thiadiazole motif in open air and visible light has been reported. The reaction involves Eosin Y as photocatalyst which is a cost-effective organic dye. The designed protocol represents a novel, mild, metal free, green strategy for the construction of 1,2,4-thiadiazole nucleus by intramolecular cyclization via N─S bond formation. The reaction has been carried out under visible light exposure in ethanol: water (4:1) mixture using 2-aminopyridine and isocyanate as reactants.     

Site selective [bmIm]OH catalyzed CC bond functionalization under green conditions

Effective methodology that activates selectively either end of a carbon–carbon triple bond requires key challenge of differentiating between the multitude of CC bonds present in complex organic molecule. The synthetic strategy exploited the electronic biases within the substrate and successfully achieved site–selective [bmIm]OH catalyzed CC bond functionalization under mild reaction conditions. This resulted in C-2-selective addition of phenacyl bromide on p-substituted phenyl acetylene and C-1 selective addition on the o-substituted phenyl acetylene leading to CC bond formation. The reaction proceeded smoothly with excellent yield under ambient conditions. This report demonstrates the progress on the catalytic activity of recyclable [bmIm]OH for selective CC bond formation.     

Studying the buckling and vibration characteristics of single-walled zinc oxide nanotubes using a nanoscale finite element model

The free vibration and axial buckling of achiral zinc oxide nanotubes (ZnONTs) are studied in this paper based on a three-dimensional finite-element model in which bonds are modeled using beam elements and mass elements are placed at the joints of beams instead of atoms. To determine the mechanical properties of the nanotubes, a linkage is established between molecular mechanics and density functional theory. The fundamental frequency and critical buckling load of ZnONTs with different geometries, chiralities and boundary conditions are calculated. It is shown that zigzag nanotubes are more stable than armchair ones. Investigating the effect of aspect ratio on the critical force shows that longer nanotubes are less stable. Also, it is indicated that increasing the length of the nanotubes will result in decreasing the frequency. Moreover, as the aspect ratio increases, the effect of end conditions diminishes.     

Recession methods for generalized vector equilibrium problems

By using the recession method, we give some necessary and/or sufficient condition of solutions of generalized vector equilibrium problems.     

Geometric Properties and Coincidence Theorems with Applications to Generalized Vector Equilibrium Problems

The present paper is divided into two parts. In the first part, we derive a Fan-KKM type theorem and establish some Fan type geometric properties of convex spaces. By applying our results, we also obtain some coincidence theorems and fixed-point theorems in the setting of convex spaces. The second part deals with the applications of our coincidence theorem to establish some existence results for a solution to the generalized vector equilibrium problems.     

Sliding on DNA: From Peptides to Small Molecules

Many DNA binding proteins utilize one‐dimensional (1D) diffusion along DNA to accelerate their DNA target recognition. Although 1D diffusion of proteins along DNA has been studied for decades, a quantitative understanding is only beginning to emerge and few chemical tools are available to apply 1D diffusion as a design principle. Recently, we discovered that peptides can bind and slide along DNA—even transporting cargo along DNA. Such molecules are known as molecular sleds. Here, to advance our understanding of structure–function relationships governing sequence nonspecific DNA interaction of natural molecular sleds and to explore the potential for controlling sliding activity, we test the DNA binding and sliding activities of chemically modified peptides and analogs, and show that synthetic small molecules can slide on DNA. We found new ways to control molecular sled activity, novel small‐molecule synthetic sleds, and molecular sled activity in N‐methylpyrrole/N‐methylimidazole polyamides that helps explain how these molecules locate rare target sites.     

Numerical analysis for slugging of steam-water stratified two-phase flow in horizontal duct

Thermalhydraulic transient phenomena of a steam-water two-phase flow was calculated numerically in order to investigate the onset of slugging from a stratified flow in a horizontal duct. Conservation equations were solved by the finite difference method using a two-phase flow analyzer ‘MINCS’. The analysis was performed to investigate the initiation of slugging with and without phase change, or condensation. The present instability criteria for the onset of slugging with no condensation agreed well with that of the Mishima–Ishii relation while it was much lower than that defined by the Kelvin–Helmholtz instability criteria. However, as the temperature difference between phases increased, steam velocity became higher for the onset of slugging condition. The characteristics of flow reversal and water hammering which were the consequences of slugging with condensation, were investigated and described. It is expected that this modeling could be well applied to complicated thermalhydraulic phenomena accompanied by flow reversal and water hammering in power plants.