Electronic properties including (bond length, energy gap, HOMO, LUMO and density of state) as well as spectroscopic properties such like infrared, Raman scattering, force constant, reduced mass and longitu- dinal optical mode as a function of frequency are based on size and concentration of the molecular and nanostructures of aluminum nitride ALN, boron nitride BN and AlxB7-XN7 as nanotubes has calculated using Ab –initio approximation method dependent on density functional theory and generalized gradient approximation. The geometrical structure are calculated by using Gauss view 05 as a complementary program. Shows the energy gap of ALN, BN and AlxB7-XN7 as a function of the total number of atoms , start from smallest molecule to reached

A multistep synthesis was established for the preparation of a new vanillic acid-1, 2, 4-1triazole-3-thiol conjugate (4). Finally, several aromatized aldehydes reacted with compound (4) to produce Schiff bases derivatives (5–11). The purpose of this research is to prepare new vanillic acid derivatives with 1, 2, 4-triazole-3-thiol heterocyclic ring structures and to evaluate their antimicrobial activity in a preliminary assessment. Fourier-transform infrared (FT-IR) and proton nuclear magnetic resonance spectroscopy (¹H-NMR) were used to verify the structures of the newly synthesized compounds. all the final synthesized compounds (

The present research investigates hydrodesulfurization (HDS) and hydrodearomatization (HAD) of raw kerosene with 0.364 wt. % sulfur and 16.498 wt. % aromatics supplied from Al-Dura Refinery. Hydrotreating reactions were carried out in one stage reactor over high metal  Ni W/γ-Al2O3 prepared catalyst at different temperatures 275-350oC, pressures 32-62 bar, LHSV 1-4 hr-1, and H2/HC ratios 200-500. The prepared catalyst was pre-sulfided remarkably at low temperature and high pressure to avoid risky of sintering associated with gaining the active sulfide phase at high temperatures.  Results showed an obvious differences between HDS and HAD rates due to difficulty of polyaromatics saturation compared with desulfurization. Sulfur and

New mixed ligand complexes of New Schiff base 4,4'- ((naphthalen-1-ylimino) methylene) dibenzene-1,3-diol and 8-hydroxy quinoline: Synthesis, Spectral Characterization, Thermal studies and Biological Activities

Cephalexin and its derivatives are commonly utilized in the pharmaceutical and medicinal industry due to their biological and pharmaceutical activities, including anti-microbial, anti-cancer, anti-bacterial, and herbicidal activities as well as possessing high palatability and being useful for skin and joint infections. Interestingly, some organic drugs, including cephalexin, which exhibit toxicological and pharmacological properties, can be administered in forms of metal complexes. Many researchers have synthesized organic ligands derived from cephalexin in forms of Schiff bases and azo compounds which exhibited higher biological and medicinal properties when compared to cephalexin alone. One of the important features that make Schiff base

This research involved the preparation of a new Schiff base derivative (1) and azo derivatives (2–7) based on sulfamethoxazole through the coupling reaction of diazonium salt with various phenols. The yields were very high, ranging from 81% to 91%. The synthesis of these compounds was characterized using various techniques such as FT-IR, 1H-NMR and 13C-NMR. The antioxidant activity of these com-pounds was investigated utilizing the DPPH radical scavenging assay. The findings indicated that all compounds possessed antioxidant activity that increased proportionally with increasing concentration, particularly compounds 6 and 7, possibly due to the presence of hydroxyl groups in their structures. The biological activity