some of the adamantane properties were calculated in this study. chemical shift, free energy ofsolvation, free energy of cavity formation, henry's law constant, and other properties ofadamantane in dry phase, three solvents and three temperatures have been calculated with abinitio method base on density functional theory (dft) at b3lyp/6-31g, b31yp/6-31g*, b3lyp/6-31+g* and b3lyp/6-31++g** leve...

In this paper we propose a new approach to plane partitioning with similar features to those of Polar Diagram, but we assume that the pole is close to the sites. The result is a new tessellation of the plane in regions called Near Pole Polar Diagram NPPD. Here we define the (NPPD) of points, the dual and the Contracted dual of it, present an optimal algorithms to draw them and discuss the appli...

This study was designed to examine the chemical composition and in-vitro antioxidant activity of the essential oil and methanolic extract of Teucrium orientale subsp. taylori. The GC and GC–MS analysis of the essential oil resulted in determination of 40 components representing 96.4% of the oil. The major constituents of the oil were linalool (28.6%), caryophyllene oxide (15.6%), 1,8-cineol (4....

The aim of this study was to analyse polar lipids of Candida species isolated from Ahwaz (Iran) by Fast Atom Bombardment Mass Spectrometry (FAB MS). Nine isolates of Candida Sp. were identified by growth at 45°C, production of chlamydoconidia on cornmeal agar, colonial colour on CHROMagar Candida, germ tube production and ID 32C kits. Then polar lipids were extracted from freeze-dried cult...

The present work reported density, viscosity, speed of sound, electrical conductivity and refractive index data of L-alanine in the aqueous solutions of 1-hexyl-3-methylimidazolium ibuprofenate at T= 298.15 K. Using the measured data, partial molar volume of transfer ( ), partial molar isentropic compressibility of transfer ( ), viscosity B-coefficient of transfer (∆traB), ion association const...

Surface discharge is one of the reasons for insulation failure. Polyimide (PI) used in gas-solid high-frequency electric power equipment. Therefore, based on density functional theory, effects single molecular chain structure, energy level, states, electrostatic potential, excited state and other micro parameters under external field trap formation surface both PI polar- group- OH<sup>– &...

Requirements of a treatment process for drinking water production from challenged surface water sources shifted over the past decades. The role UV can play in an integrated treatment approach is illustrated by a case study discussing the various research results leading to treatment upgrades at Andijk. The paper describes the feasibility of advanced oxidation based on MP UV/ H2O2 treatment for ...

conclusions as a result of the full range uv-vis scanning of the responsible band in the hptlc experiments (200-700 nm), the flavonoid was the most imaginable natural compound. results through the bioassay guided fractionation method, the greatest antibacterial activities were related to the n-hexane extract. it was also revealed that the effective anti-mrsa agent of the assessed plant was a re...

mnco2o4 (mno-co2o3) nanocomposite as a binary oxide has been successfully prepared by precipitation method using cobalt nitrate and manganese nitrate as the precursors and then characterized by scanning electron microscopy-energy dispersive micro-analysis (sem-edx) and x-ray diffraction (xrd) techniques. in this work, we report the hydrolysis kinetics reactions of semi mustard (chloroethyl ethy...