Synthesis and characterization of oxygen depleted tert-amine calix[4]arene ligands and study the effect on sigma non-opioid intracellular protein receptor

Structural Chemistry - This study focuses on the biological prospects of oxygen-depleted calix[4]arene ligands on a protein target. Because of their extensive medical relevance, the oxygen-depleted...     

Prediction of turbulence energy dissipation in flexible apron of barrages using numerical method

Barrages form an important component of hydraulic structures constructed to intercept and divert part of the available flow of a river and use it for purposes like irrigation, hydropower and domestic or industrial water supply. A flexible apron is a protection system provided in the barrage to prevent the possibility of the scour hole traveling close to the stilling basin. The turbulence kinetic energy is predicted using a 3D VOF (volume of fluid) realizable k ?? model for both horizontal and depressed flexible aprons placed downstream of the stilling basin of the barrage. The turbulence kinetic energy at the downstream end of the inclined flexible apron is comparably less compared with the horizontal flexible apron for all the cases. Copyright © 2011 John Wiley & Sons, Ltd.     

A Heuristic algorithm for reducing wavelength number of optical WDM networks

This paper proposes a Heuristic algorithm in order to reduce the total number of wavelengths required to accommodate light-paths in a WDM networks with static traffic loading. Proposed algorithm is compared with Dijkstra's algorithm for average light-path length and wavelength number of network. To see the efficiency of this 01algorithm new parameter, reduced wavelength cost (RC_X) has been defined.     

New diorganotin(IV) complexes of Schiff base derived from 4‐amino‐3‐hydrazino‐5‐mercapto‐4H‐1,2,4‐triazole: Synthesis,structural characterization,density functional theory studies,atoms‐in‐molecules analysis and antifungal activity

New diorganotin(IV) complexes of a Schiff base (HL) having general formula R₂Sn(L)Cl (where L is the monoanion of HL and R = n‐Bu or Ph) have been synthesized and characterized using elemental analysis, infrared, NMR (¹H, ¹³C, ¹¹⁹Sn) and UV–visible spectroscopies and mass spectrometry. These investigations suggest that in these 1:1 monomeric derivatives the Schiff base ligand acts in a monoanionic bidentate manner coordinating through the O_phenolic and N_azomethine, with proposed distorted trigonal bipyramidal geometry around tin with O_phenolic and two organic groups in the equatorial plane and the N_azomethine and the third organic group in axial positions. The proposed structures have been validated by density functional theory (DFT)‐based quantum chemical calculations at the B3LYP/6‐31G(d,p)/Def2‐SVP (Sn) level of theory. The simulated UV–visible spectrum was obtained with the time‐dependent DFT method in the gas phase and in the solvent field with the integral equation formalism–polarizable continuum model. A comparative analysis of the experimental vibrational frequencies and simulated harmonic frequencies indicates a good correlation between them. An insight into the intramolecular bonding and interactions among bonds in organotin(IV) complexes of HL was obtained by means of natural bond orbital analysis. The topological and energetic properties of the electron density distribution for the tin–ligand interaction in R₂Sn(L)Cl have been theoretically calculated at the bonds around the central tin atom in terms of atoms‐in‐molecules theory. The R₂Sn(L)Cl complexes were screened for their in vitro antifungal activity against chosen fungal strains.     

Gap Function for Set-Valued Vector Variational-Like Inequalities

Variational-like inequalities with set-valued mappings are very useful in economics and nonsmooth optimization problems. In this paper, we study the existence of solutions and the formulation of solution methods for vector variational-like inequalities (VVLI) with set-valued mappings. We introduce gap functions and establish necessary and sufficient conditions for the existence of a solution of the VVLI. We investigate the existence of a solution for the generalized VVLI with a set-valued mapping by exploiting the existence of a solution of the VVLI with a single-valued function and a continuous selection theorem. The research of first author was partially supported by the Council of Scientific and Industrial Research, New Delhi, Ministry of Human Resources Development, Government of India Grant 25(0132)/ER-II/2004.     

Spectrophotometric Determination of Osmium at the PPB Level Using Pyrocatechol and Hydroxyamidine

Abstract

A sensitive method for the spectrophotometric determination of osmium at the ppb level is described. The method is based on the formation of a brown-coloured complex by heating the reaction mixture containing Os(VIII), pyrocatechol and a hydroxyamidine at pH 8.5 over a boiling water bath, with subsequent extraction of the coloured species into chloroform. The molar absorptivity of the coloured species with N-hydroxy-N,N′-diphenylbenzamidine is 3.95 × 10⁶ 1 mol^?1 cm^?1 at λ_max = 410 nm. The method is free from interferences for almost all ions tested.     

Powers of Sub-Laplacian on Step Two Nilpotent Lie Groups

We give an explicit, and geometrical formula for the fundamental solution for higher order sub-Laplacians on a model step two nilpotent Lie group.