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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
Fri Dec 30 2022
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Enhance the Properties of Lignosulfonate Mud by Adding Nanoparticles of Aluminum Oxide and Iron Oxide
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Oil well drilling fluid rheology, lubricity, swelling, and fluid loss control are all critical factors to take into account before beginning the hole's construction. Drilling fluids can be made smoother, more cost-effective, and more efficient by investigating and evaluating the effects of various nanoparticles including aluminum oxide (Al2O3) and iron oxide (Fe2O3) on their performance. A drilling fluid's performance can be assessed by comparing its baseline characteristics to those of nanoparticle (NPs) enhanced fluids. It was found that the drilling mud contained NPs in concentrations of 0,0.25, 0. 5, 0.75 and 1 g. According to the results, when drilling fluid was used without NPs, the coeff

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Preparation of Graphene Flakes and Studying Its Structural Properties
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The grapheme Flakes were prepared by reduction graphite oxide which was prepared by Hummer’s method. X-ray diffraction (XRD) pattern showed that the graphene oxide have a sharp peak at (001) with d-spacing d001= 7.4Å at angle 2ϴ=11.85˚and graphene has broad peak at (002) with d-spacing d002=3.4Å at angle 2ϴ= 25.72˚ with lattice constant (a=2.47 Å). The particle size was calculated by using equation Debye - Scherer and Williamson - Hall equations, Scanning electron microscopy examination and particle size analyzer proved that the graphene Flakes were in nano size. Also the surface area of nanoparticles showed a value 270 m2/g . The micrographs of (scanning electron microscopy) showed that graphene oxide has a fluffy aggregation a

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Publication Date
Wed Jun 01 2022
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Plasmonic hybrid terahertz photomixer of graphene nanoantenna and nanowires
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Due to their attractive properties, silver nanowires (Ag-NWs) are newly used as nanoelectrodes in continuous wave (CW) THz photomixer. However, since these nanowires have small contact area, the nanowires fill factor in the photomixer active region is low, which leads to reduce the nanowires conductivity. In this work, we proposed to add graphene nanoantenna array as nanoelectrodes to the silver nanowires-based photomixer to improve the conductivity. In addition, the graphene nanoantenna array and the silver nanowires form new hybrid nanoelectrodes for the CW-THz photomixer leading to improve the device conversion efficiency by the plasmonic effect. Two types of graphene nanoantenna array are proposed in two separate photomixer conf

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Publication Date
Wed Dec 01 2010
Journal Name
Baghdad Science Journal
Relation between Body Iron Store and Insulin Resistance in Type 2 Diabetes
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The clinical impact of interaction between body iron status (serum iron and ferritin) and type 2 diabetes has been investigated in this study. Thirty-six females were enrolled, eighteen type 2 diabetes and eighteen apparently healthy. These two groups were matched for age and body mass index BMI. The eighteen diabetes females were matched for age, BMI, pharmacological treatment (oral hypoglycemic agent), and chronic diabetes complications. The biochemical parameters measured for both groups (control and diabetes patient) were fasting insulin (Io), fasting blood glucose (Go), serum iron and ferritin. A significant increase in all parameters in patients compared to healthy control was noticed. The insulin resistance (IR) which was calculat

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Publication Date
Sat Jan 01 2022
Journal Name
Rsc Advances
Antioxidant properties of butylated phenol with oxadiazole and hydrazone moiety at <i>ortho</i> position supported by DFT study
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Two series of 1,3,4-oxadiazole derivatives at the sixth position of the 2,4-di-tert-butylphenol group were synthesized.

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Publication Date
Mon Dec 03 2018
Journal Name
Journal Of Engineering
The Effect of Urban Land Use Changing on Green Area Neighborhoods No. 336 & 338 in Baghdad – Case Study
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The role of the green areas lies in being one of the systems that plays the vital role in achieving the environmental dimension besides the socio-cultural body and the economic dimension in the hidden value of ecosystem services. However, many developing countries are characterized by a state of low community environmental awareness, which coincides with the basic need for land for housing and other uses, to take precedence over nature protection strategies. In the absence of clear planning and long-term planning strategies, all this led to abuses and violations of urban land use. In Iraq, the situation became more apparent due to the political, security and social conditions that followed the year 2003. Hence, the resea

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Publication Date
Thu Jun 30 2022
Journal Name
Iraqi Journal Of Science
The Effect of Mutual Interaction and Harvesting on Food Chain Model
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       This paper treats the interactions among four population species. The system includes one mutuality prey, one harvested prey and two predators. The four species interaction can be described as a food chain, where the first prey helps the second harvested prey. The first and the second predator attack the first and the second prey, respectively, according to Lotka-Volterra type functional responses. The model is formulated using differential equations. One equilibrium point of the model is found and analysed to reveal a threshold that will allow the coexistence of all species. All other equilibrium points of the system are located, with their local and global stability being assessed. To back up the conclusions of the mathema

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Publication Date
Thu Apr 28 2022
Journal Name
Iraqi Journal Of Science
Synthesis, Spectroscopic and Antibacterial Activity Study of N-[2(2-phenyl hydrazinyl) phenyl]Benzothiazol-2-Amine Complexes
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The new ligand N-[2-(2-Phenyl hydrazinyl)Phenyl]benzothiazol-2-amine (L) was prepared from the reaction of orthoaminohydrazo benzene with 2-mercaptobenzothiazole in mole ratio (1:1). It was characterized by elemental analysis (CHN), 1H, 13C-NMR, IR and UV-Vis. The complexes of the bivalent ions Co(II), Ni(II), Cu(II), Cd(II), Hg(II) and Pb(II) have been prepared and characterized. The structural feature were established by elemental analysis (CHN), IR, UV-Vis spectra, conductivity measurements, atomic absorption and magnetic susceptibility. All complexes have been showed octahedral geometry except Cu(II) complex showed square planer. Dissociation degree, stability constant and molar absorptivity (l. mol-1. cm-1) were calculated for all c

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Publication Date
Sun Apr 24 2022
Journal Name
Journal Of The Faculty Of Medicine Baghdad
The outcome of Pleurodesis in Malignant Pleural Effusion : No subtitle
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Background: Accumulation of fluid in pleural space, which is malignant in nature, is secondary to lung, breast or ovarian tumors. Metastatic Adeno Ca is most commonly seen in male and breast Ca is most commonly seen in female. It indicates advanced disease and reduced survival.

Aim: Is to study prospectively thirty patients with malignant pleural effusion according to their clinical presentation, ways of diagnosis, and methods of chemical pleurodesis.

Patient and methods: Data of thirty patients with malignant pleural effusion collected and analyzed using a form to categorize them according to their age, gender, presenting features, imaging studies and

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Publication Date
Mon Dec 21 2020
Journal Name
International Journal Of Environmental Analytical Chemistry
Comparative study of embedded functionalised MWCNTs and GO in Ultrafiltration (UF) PVC membrane: interaction mechanisms and performance
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