This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study.

Aim: To evaluate the cytotoxic activity of newly synthesized a series of novel HDAC inhibitors comprising sulfonamide as zinc binding group and Isatin derivatives as cap group joined by mono amide linker as required to act as HDAC inhibitors. Materials and Methods: The utilization of sulfonamide as zinc binding group joined by N-alkylation reaction with ethyl-bromo hexanoate as linker group that joined by amide reaction with Isatin derivatives as cap groups which known to possess antitumor activity in the designed of new histone deacetylase inhibitors and using the docking and MTT assay to evaluate the compounds. Results: Four compounds have been synthesized and characterized successfully by ART-FTIR, NMR and ESI-Ms. the compounds w

In this study, dead and live anaerobic biomass was used in biosorption of Pb(II), Cr(III) and Cd(II) ions from a synthetic wastewater. The biosorption was investigated by batch adsorption experiments. It was found that, the biosorption capacities were significantly affected by biosorbent dosage. The process follows Langmuir isotherm (regression coefficient 0.995, 0.99 and 0.987 for Pb(II), Cr(III) and Cd(II) ions, respectively, onto dead anaerobic biomass) model with uniform distribution over the biomass surface. The experimental uptake capacity was 51.56, 29.2 and 28 mg/g for Pb(II), Cr(III) and Cd(II), respectively, onto dead anaerobic biomass, compared with 35, 13.6 and 11.8 mg/g for Pb(II), Cr(III) and Cd(II), respectively, onto live

A novel series of mixed-ligand complexes of the type, [ML1(L2)3]Clx [M= Cr(III), Fe(III), Co(II),Ni(II), Cu(II), Cd(II) and Hg(II), n = 2, 3], was synthesized using Schiff base (HL1) as main ligand, nicotinamide (L2) as secondary ligand, and the corresponding metal ions in 1:3:1 molar ratio. The main ligand, HL1 was prepared by the interaction of ampicillin drug and 4-chlorobenzophenone. The synthesized mixed ligand complexes were characterized by elemental analysis, UV-Vis, FT-IR,1H-NMR,13C-NMR and TG/DTG studies. In the mixed-ligand complexes, the Schiff base ligand, HL1 showed coordination to the central metal ion in tridentate manner via azomethine nitrogen, β-lactam ring oxygen and deprotonated carboxylic oxygen atoms, whereas the sec

Two new Schiff bases (S1,S2) derived from 2-Amino-2-deoxy chitosamine and mnitrobenzaldehyde
(S1), and with salicylaldehyde (S2) were prepared and
characterized using FTIR, UV and mass spectrometry. New complexes of the
transition metal ions Co (II), Ni (II), Pd (II), Pt (II) with the two ligands were
synthesized and their structures were elucidated depending on atomic absorption,
FTIR, UV-visible spectra in addition to magnetic susceptibility and electrical
conductivity measurement. Metal to ligand [M: L] ratio was obtained for all
complexes in ethanol using molar ratio method, which gave comparable results with
those obtained for the solid complexes. Stability constant of the complexes were
determined using s

         The objective of the present study is to compare the effect of insulin like growth factor-1 on the lipid profile in sera of diabetic patients with and without dyslipidemia having the same medical treatment and compared with healthy control. The study included three groups. The biochemical parameters which were measured include, fasting blood sugar(FBS), glycated hemoglobin (HbA1c), fasting insulin, insulin like growth factor-1(IGF-1),  lipid profile [Total cholesterol (Tc) , triglyceride(TG), high density lipoprotein cholesterol(HDL-c) ,low density lipoprotein-cholesterol (LDL-c)and very low density lipoprotein-cholesterol (VLDL-c)], Atherogenic index of plasma(AIP), insulin resistance(IR). The resu

Comparative cytogenetic studies were carried out on males of two species of flour beetles, Rust flour beetle Tribolium castaneum and Confused flour beetle Tribolium confusum to investigate the karyotype. In these species, somatic chromosomes were arranged according to its  length except the sex chromosomes.  Results of this study showed that complete chromosomes karyotyping  (2n)  of      T.castaneum equaled to twenty chromosomes ( 2n=20, XY ) whereas (2n) T.confusum equaled eighteen chromosomes ( 2n= 18,XY). In the two species the sex   chromosome Y was the shortest chromosome and had length of average ± standard error in T.castaneum equaled to 1.500 ± 0.0  µm whereas

Design of experiments (DOE) was made by Minitab software for the study of three factors used in the precipitation process of the Sodium Aluminate solution prepared from digestion of α-Al₂O₃  to determine the optimum conditions to a produce Boehmite which is used in production of ɤ-Al₂O₃ during drying and calcination processes, the factors are; the temperature of the sodium aluminate solution, concentration of HCl acid added for the precipitation and the pH of the solution at which the precipitation was ended. The design of the experiments leads to 18 experiments.

   The results show that the optimum conditions for the precipitation of the sodium aluminate solution which

Abstract

This study deals with the fluctuations of oil revenues and its effect on the public debt. This can be studied through the indicators of debt sustainability, the financial, and economic indicators which express the risk of debt. The study focuses on clarification of the public debt path and its management both domestic and foreign. The sustainability of debt takes an important role according the macroeconomic variables. This study stresses the relationship between the rental economy in Iraq and the risk of the public debt, it is very important to work high oil prices, and on investigating during high work to establish a fund to support the budget deficit. This will reduce future risks arising from the use of publi