Ten new thiourea derivatives 1-10 were prepared in this work using a two-step process that involved reacting 4-methoxybenzoyl chloride with KSCN to afford 4-methoxybenzoyl isothiocyanate. This was followed by reaction with various amines (primary amines, secondary amines, and diamines) to give the aforementioned title products 1-10. These products were characterized by FT-IR, 1H NMR and 13C NMR spectroscopy. Using the DPPH scavenging method, the antioxidant activity of thiourea products was investigated, and derivative 8 had the greatest antioxidant activity in comparison to the other derivatives. Moreover, molecular docking for all compounds was studied using Autodock (4.2.6) software and Bacillus pasteurii urease (pdb id: 4ubp) as a target protein. The best inhibitor activity and docking scores are displayed by compound 7, followed by compounds 5 and 6, which highlight the importance of compounds having two thiourea moieties for higher inhibition activity.
The purpose of this study is to deal with dust and interstellar molecular and atomic gas owing to obtaining a proportion of cold gas to dust and to understand the characteristics of the molecular gas in extragalactic data selected from the Herschel SPIRE/ FTS archive. The physical properties of a sample of 65 extragalactic spectra characterized by the activity of star formation were discussed in this work. Statistical analyses, using STATISTICA program, were made for the content of cold gas (MHI, MH2), dust mass (Mdust), cold temperature of dust (Td) and luminosities in Far-infrared to CO line radiations, while coefficients of partial correlation within those characteristics were established. The results
... Show MorePrograms and performance budget represents a sophisticated method of public budget numbers, which includes all allocations to be determined for each job or activity within a government entity, which is analyzed according to their needs and costs, and this method can be applied using one of the cost accounting techniques, which is the technique of analyzing the value chain that reduces costs by avoiding activities that do not add value and enhance activities that add value to the economic entity, the current research aims to develop the budget system in government entity by using the budget of programs and performance as a tool for planning and monitoring events and activities, thereby reducing the waste of public money by reducing unnecessa
... Show MoreThe climate parameters of rainfall, and average of maximum and minimum temperature were investigated for the period of 2000-2019 in three stations in central and eastern Iraq (Baghdad, Diyala, and Kut provinces). Evidence of climate change was noticed from the results, reflected by decreased mean values of annual rainfall with increased mean of maximum and minimum temperature. In addition, the water balance and the climatic conditions were determined for Khanaqin station for the years 1981-2019. The analysis of Khanaqin climate parameters demonstrated total annual mean values of rainfall of 260.86mm and evaporation of 3119.59mm. The mean monthly relative humidity was 46.65%, sunshine was 8.39h/day, temperature was 23.36C
... Show MoreNew metal ions complexes of tridentate ligand (1-((dicyclohexylamino) methyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrzol-4-ylimino) indolin-2-one) have been synthesized and characterized by chemical-physical analysis. The ligand acts as a tridentate for the complexation reaction with all metal ions. The new complexes, possessing the general formula [M(L)Cl]Cl where M=[Ni(II), Cu(II), Zn(II), Pd(II), Cd(II), Pt(IV) and Hg(II) ] ,show tetrahedral geometry. All complexes ,except Pd(II) complex which has a square planar geometry and Pt(IV) which show an octahedral geometry. The geometry of the prepared compounds has been proposed in another method theoretically by using one of the calculation molecular programs (Hype
... Show MoreThe complexes Shiff base and mixed ligands complexes of bipyridyl and Schiff base 1,5-dimethyl-4-(5-oxohexan-2-ylideneamino)-2-phenyl-1H-pyrazol-3(2H)-one (L) with Cr(III), Mn(II), Fe(II) and Co(II) were prepared. The compounds have been characterized by FT-IR, UV-Vis, mass and 1H and 13C-NMR spectra, magnetic moment, elemental microanalyses (C.H.N.), chloride containing, atomic absorption and molar conductance. The studies made are indicating towards octahedral geometry for these complexes. Hyper Chem-8 program has been used to prediction structural geometries of compounds in gas state, the heat of formation, binding energy, total energy and electronic energy and dipole moment at 298oK. The c
... Show MoreA new imidazolidine 4-one derivative, of namly 2-[2-(4-Bromo-phenyl)-imidazo [1,2-a] pyridine-3-yl]-3-(4-nitro-phenyl)-imidazolidine-4-one (BPIPNP) was investigated as corrosion inhibitor for carbon steel in salty (3.5% NaCl) and acidic (0.5M HCl) solutions using potentiometric polarization measurements. The results revealed that the percentage inhibition efficiencies (%IE) in the salty solution (90.67%) are greater than that in the acidic solution (83.52%). Experimentally, the thermodynamic parameters obtained have supported a physical adsorption mechanism and which followed Langmuir adsorption isotherm. Density Functional Theory (DFT) of quantum mechanical method with B3LYP 6-311++G (2d, 2p) level was used to calculate geometrical stru
... Show MoreIn this study, Mn-Ni Ferrite was prepared by using two composites of manganese ferrite ( MnFe2o4 ) and Nicle Ferrite ( NiFe2O4) tested by X-Ray diffraction (XRD) method. The dielectric constant (ðœ€Ì…) and the dielectric loss tangent (ð‘¡ð‘Žð‘› ð›¿) were studied for the ferrite system prepared at different frequencies (100, 200… and 5000 kHz). It was found that the values of (ðœ€Ì…) and (ð‘¡ð‘Žð‘› ð›¿) decrease with the increase of frequencies.