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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
Thu Sep 19 2024
Journal Name
Irish Journal Of Medical Science (1971 -)
Correlation between clinical and MRI findings in disc herniation in the lumbosacral region
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Publication Date
Wed Oct 31 2018
Journal Name
Iraqi Journal Of Science
The relationship between Chlamydia pneumoniae infection and TNF-Ξ± in cardiovascular disease patients
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Over the last few years the role of microorganisms in the pathogenesis of atherosclerosis has been widely discussed.  Advance in basic science have established a fundamental role for inflammation immediating all stages of cardiovascular diseases. Chlamydia pneumoniae activates immune cells to produce cytokines such us TNF-α that are important contributor to atherosclerosis. All blood samples were assayed for molecular detection of Chlamydia pneumoniae by using conventional polymerase chain reaction (PCR) relying on16SrRNAand the level of serum TNF-α measured by enzyme linked immunosorbent assay (ELISA).Seventy patients who suffering from CVD (angina, myocardial Infarction and atherosclerosis) aged between 33-86 y

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Publication Date
Mon May 01 2023
Journal Name
Journal Of Engineering
Design Comparison between the Gravity and Pressure Sand Filters for Water Treatment, Review
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Hygienic engineering has dedicated a lot of time and energy to studying water filtration because of how important it is to human health. Thorough familiarity with the filtration process is essential for the design engineer to keep up with and profit from advances in filtering technology and equipment as the properties of raw water continue to change. Because it removes sediment, chemicals, odors, and microbes, filtration is an integral part of the water purification process. The most popular technique for treating surface water for municipal water supply is considered fast sand filtration, which can be achieved using either gravity or pressure sand filters. Predicting the performance of units in water treatment plants is

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Publication Date
Mon Mar 07 2022
Journal Name
Journal Of Educational And Psychological Researches
The Relationship between Psychological Stress and Social Isolation among Displaced Secondary School Students
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The problem of the current research addressed the close link between the psychological stress and social isolation as behavior and experience, as well as, the stress of the displaced pupils by the sense of alienation and isolation from the society to which they had moved. It reflects a sense of mystery to the displaced pupils about their lives in the present and future. Therefore, the current research aims to identify the psychological presence and the level of social isolation among secondary school displaced pupils and identify whether there were statistically significant differences in the variables between the displaced pupils (males-females). Moreover, it attempts to identify the relationship between psychological stress and social

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Publication Date
Wed Feb 01 2017
Journal Name
Journal Of Economics And Administrative Sciences
Trade relations between Iraq and selected Arab countries for the period 2003 -2013
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Ping message focused on highlighting the fact commodity trading in Iraq, and increased exposure to world merchandise trade imbalance, which dominate Iraq's foreign trade major commodity is oil, and therefore the inability of Iraq to control financial revenue as a result of the fluctuations in the international market, the shortage of commodity products will lead inevitably to the weakness in the ability of the local market to meet the internal demand and due to the lack of flexible production machine For agricultural, industrial and economic sectors are responding to changes in the domestic or external demand which will open the door to merchandise imports to invade these markets, since the adoption of the Iraq oil exports,

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Publication Date
Sat Dec 30 2023
Journal Name
Iraqi Journal Of Science
Effect of Voltage on Gas Sensor Performance of Anodization Synthesized TiO2 Nanotubes Arrays
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     Serious gases have been highly related to being prejudiced against human life within the environment. The evolution of a trustworthy gas sensor with an elevated response is of major importance for detecting various hazardous gases. Titanium dioxide (TiO2) nanotubes (TNTs) are favorable candidates with considerable potential and stellar performance in gas sensor applications. In this work, we have studied the effect of voltage on preparing TiO2 nanotubular arrays via the anodization technique for gas sensor applications. A simple electrochemical anodization approach was used to synthesize titanium dioxide nanotubes. Diverse techniques of characterization were used to evaluate TNTs. The results gained from fi

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Publication Date
Sun Mar 04 2018
Journal Name
Baghdad Science Journal
Effects of Gas Flow on Spectral Properties of Plasma Jet Induced by Microwave
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In this paper, a construction microwave induced plasma jet(MIPJ) system was used to produce a non-thermal plasma jet at atmospheric pressure, at standard frequency of 2.45 GHz and microwave power of 800 W. The working gas Argon (Ar) was supplied to flow through the torch with adjustable flow rate using flow meter regulator. The influence of the MIPJ parameters such as applied voltage and argon gas flow rate on macroscopic microwave plasma parameters were studied. The macroscopic parameters results show increasing of microwave plasma jet length with increasing of applied voltage, argon gas flow rate where the plasma jet length exceed 12 cm as maximum value. While the increasing of argon gas flow rate will cause increasing into the ar

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Publication Date
Thu Aug 01 2019
Journal Name
International Journal Of Research - Granthaalayah
CALCULATION OF MULTIPLE MIXING RATIOS OF GAMMA RAYS FROM 𝑡𝒅(𝒏,𝒏)πŸ”πŸŽ πŸπŸ’πŸβˆ’πŸπŸ“πŸŽ ) πŸ”πŸŽπ‘΅π’… πŸπŸ’πŸβˆ’πŸπŸ“πŸŽ INTERACTION
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In the current research, multiple mixing ratios of gamma -transitions of the energy levels 60𝑁𝑑 142−150 isotopes populated in 𝑁𝑑(𝑛, 𝑛 ˊ 60 142−150 ) 60𝑁𝑑 142−150 interaction are calculated using the constant statistical tensor (CST) method. The results obtained are, in general, in good agreement or consistent, within the experimental error, with the results published in the previously researches. Existing discrepancies result from inaccuracies in the experimental results of previous works. The current results confirm the validity of the constant statistical tenser method of calculating the values of mixing ratios and its predictability of errors in experimental results

Publication Date
Mon Jan 01 2018
Journal Name
Journal Of Pharmaceutical Sciences And Research
Biosynthesis of zinc oxide nanoparticles by hot aqueous extract of Allium sativum plants
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Current studies interested on the biosynthesis of zinc oxide nanoparticles (ZnO-NPs) using hot plants extracts of Allium sativum and characterization of them using: Atomic Force Microscopy (AFM), X-ray diffractions (XRD), Fourier Transform Infrared Spectroscopy (FT- IR), UV–visible spectral and Hot stage. The results found that all NPs are had nano-size. ZnO NPs was produced by four procedures using hot extract of Allium sativum. The average diameters were: 101.59 nm, 110.33 nm, 75.69 nm, 88.67 nm for first, second, third and fourth procedures respectively compared with 47.57 nm for standard NPs. The Roughness averages (Ra) were: 10.8 nm, 6.83 nm, 13.8 nm, 0.541 nm for first, second, third and fourth respectively. The Root mean square (Sq

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Publication Date
Sun Feb 23 2025
Journal Name
Tikrit Journal Of Administrative And EconomicΒ sciences
Analyzing the relationship between human resource management practices and the creative behavior of employees Analytical research in the Ministry of Science and Technology
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