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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 Jun 19 2019
Journal Name
Scientific Reports
Environmental microcystin targets the microbiome and increases the risk of intestinal inflammatory pathology via NOX2 in underlying murine model of Nonalcoholic Fatty Liver Disease
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Abstract<p>With increased climate change pressures likely to influence harmful algal blooms, exposure to microcystin, a known hepatotoxin and a byproduct of cyanobacterial blooms can be a risk factor for NAFLD associated comorbidities. Using both <italic>in vivo</italic> and <italic>in vitro</italic> experiments we show that microcystin exposure in NAFLD mice cause rapid alteration of gut microbiome, rise in bacterial genus known for mediating gut inflammation and lactate production. Changes in the microbiome were strongly associated with inflammatory pathology in the intestine, gut leaching, tight junction protein alterations and increased oxidative tyrosyl radicals. Increased lactate produ</p> ... Show More
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Publication Date
Sun Dec 01 2013
Journal Name
Baghdad Science Journal
Theoretical Study of Charge Transfer in Styryl Thiazilo Quinoxaline Dyes STQ-1, STQ-2,and STQ-3 in Organic Media System
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Charge transfer in styryl dyes STQ-1, STQ-2,and STQ-3 with organic media system has been studied theoretically depending on the Franck- Condon rule and continuum dielectric model . The reorientation energies (eV) were evaluated theoretically depending on dipole momentum, dielectric constant , and refrective index n. The rate constant of charge transfer has been calculated depending on the reorientation energy (eV) ,effective free energy , potential height barrier , and coupling coefficient . A matlap program has been written to calculated the rate constant of charge transfer and other parameter. The results of calculations show that STQ-2 dye is more reaction for charge transfer compare with STQ-1 and STQ-3 dyes

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Publication Date
Thu Apr 28 2022
Journal Name
Iraqi Journal Of Science
Noble Metals/NiO Core- Shell Based Gas Sensors
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The application of novel core-shell nanostructure composed of Cu, Ag, Au/NiO to improve the sensitivity of pure NiO to H2S gas sensors is demonstrated in this study. The growth of Cu, Ag, Au/NiO core-shell nanostructure is performed by chemical reaction of NiO on metal nanoparticle (Cu, Ag and Au) that prepared by pulsed laser ablation (PLA( technique. This is to form the homogeneous structure of the sensors investigated in this report to assess their sensitivity in terms of H2S detection. These novel H2S gas sensors were evaluated at operating temperatures of 25 °C, 100 °C and at 150 °C. The result reveals the Cu, Ag, Au/NiO core-shell nanostructure present a good sensitivity at low working temperatures compared by pure NiO nanoparti

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Publication Date
Tue Feb 01 2022
Journal Name
Chalcogenide Letters
Copper telluride thin films for gas sensing applications
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Copper Telluride Thin films of thickness 700nm and 900nm, prepared thin films using thermal evaporation on cleaned Si substrates kept at 300K under the vacuum about (4x10-5 ) mbar. The XRD analysis and (AFM) measurements use to study structure properties. The sensitivity (S) of the fabricated sensors to NO2 and H2 was measured at room temperature. The experimental relationship between S and thickness of the sensitive film was investigated, and higher S values were recorded for thicker sensors. Results showed that the best sensitivity was attributed to the Cu2Te film of 900 nm thickness at the H2 gas.

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Publication Date
Thu May 01 1997
Journal Name
Polymer-plastics Technology And Engineering
An Efficient Method for Real Gas Pseudopressure Calculation
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Publication Date
Wed Feb 12 2025
Journal Name
Journal Of Engineering
Stratified Water-Oil-Gas Flow Through Horizontal Pipes
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Publication Date
Fri Jul 21 2023
Journal Name
Journal Of Engineering
Bubble Size Distribution In Gas-Liquid Dispersion Column
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The present work investigates the effect of; superficial air velocities of: 1, 3, and 6 cm/s for two types of perforated distributor on hydrodynamic characteristic in a gas-liquid dispersion column of; air-water, and airaqueous-n-propanol solution. Bubble distribution, gas holdup, and power consumption are parameters take in consideration. Experimental work was carried out in perspex column of 8.5 cm inside diameter and 1.5 m height. Two types of bubble generator (perforated plate) were fixed at the bottom of the column; plate A (99 holes of 0.5 mm diameter and free area of 0.34%), plate B (20 holes of 1.5 mm diameter and free area of 0.62%). Photographic technique was used to measure the bubble parameters. The experimental results were

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Publication Date
Tue Feb 01 2022
Journal Name
Chalcogenide Letters
Copper telluride thin films for gas sensing applications
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Publication Date
Sun Mar 19 2023
Journal Name
Journal Of Educational And Psychological Researches
Standard Characteristics of (Philip Carter) Tests of Mental Agility Estimated According To the Classical Measurement Theory among University Students
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Abstract

The aim of the current research is to extract the psychometric properties of Philip Carter's tests (for mental agility) according to the classical measurement theory. To achieve these goals, the researcher took a number of scientific steps to analyze Philip Carter's tests (for mental agility) according to the classical measurement theory. The researcher translated Philip Carter's (mental agility) tests from English into Arabic and then he translated them conversely. For the purpose of statistical analysis of paragraphs of the Philip Carter tests (mental agility) to extract the psychometric properties, the tests were applied to a sample of (1000) male and female students who were selected by cluster sampl

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Publication Date
Thu Jul 06 2017
Journal Name
Al-mustansiriyah Journal Of Science
Physiological and histological effects of (zinc and iron) oxide nanoparticles on some fertility parameters in female mice
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Nowadays nanoparticles have widespread application in various industriesbecause of their special and unique features, there are many studies in sideeffects of nanomaterial. This study done by 40 white female mice withevery other day intraperitoneally injection of low and high doses of both ofZnO kg of body weight) and FeOnanoparticles (5 and 40 mg/kg). After a 15 days period, the mice weresacrificed and blood samples were collected for hormone analysis, andtissue samples for morphometric studies.Statistical Analysis shows significant differences in LH, Estrogen,Progesterone hormone levels between groups, while there are insignificantdifferences in Follicle stimulating hormone (FSH) level between thegroups compared with its level in

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