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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Wed May 17 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Interaction Effect of Urea and Super Phosphate Fertilizer on the Nutritional Status of Wheat Plant (Triticum aestivum L.)
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 A pots experiment was conducted in the plastic house of Kalar Horticulture station Province of Sulaimania, by using soil brought from one of Kalar region fields during growing season of 2007-2008, to study the effect of increasing levels of urea fertilizer which is           (0, 0.20,0.40,0.80) g/pot which equals to (0,100,200,400) kg urea/ha, and super phosphate fertilizer which is (0,0.24,0.48)gm/pot which is equal (0,120,240) kg sup/ha, in nutrition state of wheat IPA 95 component, clay determining  Nitrogen, Phosphor and Potassium content in green part and seeds.        The Completely Randomized Design was used with three replication per t

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
A Study of the Relationship Between CMV IgG Titers and Blood Pressure in Iraqi patients
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Human cytomegalovirus (CMV) infection is associated with higher risk of cardiovascular diseases in immunocompromised organ transplant patients; it has been linked with the elevated arterial blood pressure. This study aimed to find a relationship between CMV antibody titers and blood pressure elevation by using the enzyme-linked immunosorbent assay (ELISA) to measure CMV IgG levels in the serum of 60 patients with high blood pressure, in comparison to 30 healthy persons with normal blood pressure as a control. All patients and control were 25-50 years old. The results showed that CMV antibody titers were higher in those who undergo blood pressure elevation. This finding supports the hypothesis that; the common CMV infection may leads to i

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Publication Date
Tue Jul 01 2014
Journal Name
Political Sciences Journal
Political pluralism between rejection and acceptance Astrobiological study of the most prominent contemporary Islamic trends
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التعددية السياسية بين الرفلض والقبول دراسة نظرية لأبرز الاتجاهات الاسلامية المعاصرة

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Publication Date
Mon Sep 30 2024
Journal Name
The Scientific World Journal
Relationship Between the Level of Vitamin D3 Deficiency and Successful Osseointegration: A Prospective Clinical Study
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Purpose: This study aimed to evaluate the influence of vitamin D3 levels on bone density, primary dental implant stability, and successful osseointegration.

Materials and Methods: Clinical and radiological examination with a standardized cone‐beam computed tomography (CBCT) machine and laboratory investigation for serum levels of vitamin D3 were performed for all patients. Only patients in need of single or multiple straightforward dental implant surgery in either jaw with no history of systemic disease or condition that may interfere with bone healing were included in this study to receive the dental implant by the same oral and maxillofacial surgeon, which re‐opened

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Publication Date
Mon Jan 01 2018
Journal Name
Journal Of Global Pharma Technology
Synthesis, Diagnosis and Microbiological Studies of Mn+2, Co+2, Ni+2, Cu+2 and Hg+2 Chelates of Two Schiff Bases Derived from OPhathaldehyde
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A new Schiffbase derivative ligands [H4L1] and [H2L2] have been produced by condensed ophathaldehyde with ethylene diamine and [N1, N1'E, N1, N1'E)-N1, N1'-(1, 2-phenylenebis (methan-1-yl- 1ylidene)) diethane-1, 2-diamine] with 2-benzoyl benzoic acid. Schiffbase ligands have been separated and categorized by 1H, 13 C-NMR, (CHN) elemental analysis, UV-visible, mass spectroscopy and FTIR methods. Ten new coordination complexes were prepared and structurally diagnosed: [M(L1)Cl2] and [M2(L2)Cl2] where M(II) = Mn (II), Co(II), Ni(II), Cu(II) and Hg(II). The complexes have been typified by FTIR, UV-visble atomic absorption, molar conductance elemental analysis, and magnetic susceptibility. The details of the ligand (H4L1) compounds are getting a

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Publication Date
Mon Sep 13 2021
Journal Name
Eureka: Physics And Engineering
A numerical study to improve the position and angle of the producer gas injector inside the intake manifold to minimize emissions and efficiency enhancement of a bi engine
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To develop a petrol engine so that it works under the bi-engine pattern (producer gas-petrol) without any additional engine modifications, a single-point injection method inside the intake manifold is a simple and inexpensive method. Still, it leads to poor mixing performance between the air and producer gas. This deficiency can cause unsatisfactory engine performance and high exhaust emissions. In order to improve the mixing inside the intake manifold, nine separate cases were modelled to evaluate the impact of the position and angle orientation inside the intake manifold on the uniformity and spread of the mixture under AFR=2.07. A petrol engine (1.6 L), the maximum engine speed (8000 rpm), and bi-engine mode (petrol-producer ga

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Publication Date
Fri Mar 31 2017
Journal Name
Journal Of Engineering
Experimental Measurements of Viscosity and Thermal Conductivity of Single Layer Graphene Based DI-water Nanofluid
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Experimental measurements of viscosity and thermal conductivity of single layer of graphene . based DI-water nanofluid are performed as a function of  concentrations (0.1-1wt%) and temperatures between (5 to 35ºC). The result reveals that the thermal conductivity of GNPs nanofluids was increased with increasing the nanoparticle weight fraction concentration and temperature, while the maximum enhancement was about 22% for concentration of 1 wt.% at
35ºC. These experimental results were compared with some theoretical models and a good agreement between Nan’s model and the experimental results was observed. The viscosity of the graphene nanofluid displays Newtonian and Non-Newtonian behaviors with respect to nanoparticles concen

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Publication Date
Wed Sep 01 2021
Journal Name
Journal Of Physics: Conference Series
Theory and applications of Marshall Olkin Marshall Olkin Weibull distribution
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Abstract<p>In probability theory generalizing distribution is an important area. Several distributions are inappropriate for data modeling, either symmetrical, semi-symmetrical, or heavily skewed. In this paper, a new compound distribution with four parameters called Marshall Olkin Marshall Olkin Weibull (MOMOWe) is introduced. Several important statistical properties of new distribution were studied and examined. The estimation of unknown four parameters was carried out according to the maximum likelihood estimation method. The flexibility of MOMOWe distribution is demonstrated by the adoption of two real datasets (semi-symmetric and right-skewed) with different information fitting criteria. Su</p> ... Show More
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Publication Date
Mon May 16 2022
Journal Name
International Journal Of Biomaterials
Histopathological and Biochemical Comparative Study of Copper Oxide Nanoparticles and Copper Sulphate Toxicity in Male Albino Mice Reproductive System
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Copper (Cu) is an essential trace element for the efficient functioning of living organisms. Cu can enter the body in different ways, and when it surpasses the range of biological tolerance, it can have negative consequences. The use of different nanoparticles, especially metal oxide nanoparticles, is increasingly being expanded in the fields of industry and biomedical materials. However, the impact of these nanoparticles on human health is still not completely elucidated. This comparative study was conducted to evaluate the impacts of copper oxide nanoparticles (CuO NPs) and copper sulphate (CuSO4 0.5 (H2O)) on infertility and reproductive function in male albino mice BALB/c. Body weight, the weight of male reproductive organs, mal

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Publication Date
Fri Dec 27 2024
Journal Name
Journal Of The College Of Law /al-nahrain University
The financial regulations approved in private universities and colleges in accordance with the Law of Private Higher Education No. (25) of 2016
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