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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 Jan 10 2024
Journal Name
Nanotechnology
Improving the targeted delivery of curcumin to esophageal cancer cells via a novel formulation of biodegradable lecithin/chitosan nanoparticles with downregulated miR-20a and miR-21 expression
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Abstract<p>Nanoencapsulation, employing safe materials, holds substantial promise for enhancing bioactive compounds’ delivery, stability, and bioactivity. In this study, we present an innovative and safe methodology for augmenting the incorporation of the anticancer agent, curcumin, thereby inducing apoptosis by downregulating miR20a and miR21 expression. Our established methodology introduces three pivotal elements that, to our knowledge, have not undergone formal validation: (1) Novel formulation: We introduce a unique formula for curcumin incorporation. (2) Biocompatibility and biodegradability: our formulation exclusively consists of biocompatible and biodegradable constituents, ensuring t</p> ... Show More
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Publication Date
Wed May 25 2022
Journal Name
Iraqi Journal Of Science
Intensive and Explanatory Statistical Analysis of the Relationship Between Inorganic Phosphate Content and Antioxidant Activity in Fresh and Canned Fruit Juices
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     The inorganic phosphate content and antioxidant activity of fresh fruit juices and canned fruit juices commonly consumed in Bahrain were compared. The fruits considered in this study were kiwi, guava, black grape, strawberry, apple, and pineapple. The inorganic phosphate content of the juices was determined by a colorimetric method using a UV/VIS spectrophotometer. Among the fresh juices, the highest inorganic phosphate content was measured for black grape juice (17.330 ±0.068 mg/L), and among the canned juices, the highest inorganic phosphate was measured for black grape canned juice too (16.020 ±0.141 mg/L, brand 3). The antioxidant activity was determined in-vitro by measuring the percentage of 2,2-diphenyl-1-picrylhydrazyl

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
fabrication and study the characteristic of PbTelSi
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In this research has been the manufacture and study the properties of the solar cell type retail hybrid manner thermal evaporation emptiness were studying the properties of the cell at room temperature showed measurements stream circuit behavior linear cell manufacturers reached were calculated efficiency tool cell manufacturers, as well as the expense of workers filling the cell

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Publication Date
Mon Jan 01 2024
Journal Name
International Journal Of Hydrogen Energy
Modeling of electrocatalytic hydrogen evolution via high voltage alkaline electrolyzer with different nano-electrocatalysts
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Publication Date
Sun Apr 26 2020
Journal Name
Iraqi Journal Of Science
Fabrication of a Chemical Sensor Based on Surface Plasmon Resonance via Plastic Optical Fiber
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In this work, a chemical optical fiber sensor based on Surface Plasmon Resonance (SPR) was designed and implemented using plastic optical fiber. The sensor is used for estimating refractive indices and concentrations of various chemical materials (methanol, distilled water, ethanol, kerosene) as well as for evaluating the performance parameters such as sensitivity, signal to noise ratio, resolution and the figure of merit of the fabricated sensor. It was found that the value of the sensitivity of the optical fiber-based SPR sensor, with 40 nm thick and 10 mm long Au metal film of exposed sensing region, was 3μm/RIU, while the SNR was 0.24, the figure of merit was 20, and the resolution was 0.00066. The sort of optical fiber utilized i

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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Physics
Optical, Structural, Morphological Properties of Chromium (III) Oxide Nanostructure Synthesized Using Spray Pyrolysis Technique
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Nanostructure of chromium oxide (Cr2O3-NPs) with rhombohedral structure were successfully prepared by spray pyrolysis technique using Aqueous solution of Chromium (III) chloride CrCl3 as solution. The films were deposited on glass substrates heated to 450°C using X-ray diffraction (XRD) shows the nature of polycrystalline samples. The calculated lattice constant value for the grown Cr2O3 nanostructures is a = b = 4.959 Å & c = 13.594 Å and the average crystallize size (46.3-55.6) nm calculated from diffraction peaks, Spectral analysis revealed FTIR peak characteristic vibrations of Cr-O Extended and Two sharp peaks present at 630 and 578 cm-1 attributed to Cr-O “stretching

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Publication Date
Sun Aug 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Ag+ ,Pb+2 ,Fe+3 ,Cr+3 Complexes with the New Antipyrene – Azo Ligand.
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oupling reaction of 4-aminoantipyrene with the (L-Histidine) gave the new bidentate azo ligand.The prepared ligand was identified by FT.IR, UV-Vis and HNMR spectroscopics technique. Treatment of the prepared ligand was done with the following metal ions (Ag+ ,Pb+2 ,Fe+3 ,Cr+3  ) in aqueous ethanol with a1:1 and 1:2  M:L ratio . The prepared complexes were characterized by using FT. IR and UV- VIS spectroscopic method as well as conductivity measurements. Their structures were suggested according to the results obtained.

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Publication Date
Fri Apr 12 2019
Journal Name
Journal Of Economics And Administrative Sciences
Compare between simex and Quassi-likelihood methods in estimation of regression function in the presence of measurement error
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       In recent years, the attention of researchers has increased of semi-parametric regression models, because it is possible to integrate the parametric and non-parametric regression models in one and then form a regression model has the potential to deal with the cruse of dimensionality in non-parametric models that occurs through the increasing of explanatory variables. Involved in the analysis and then decreasing the accuracy of the estimation. As well as the privilege of this type of model with flexibility in the application field compared to the parametric models which comply with certain conditions such as knowledge of the distribution of errors or the parametric models may

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Publication Date
Fri Jan 26 2024
Journal Name
Iraqi Journal Of Science
The Exploitation of Dar-Zarrouk Parameters to Differentiate Between Fresh And Saline Groundwater Aquifers of Sinjar Plain Area.
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This research discusses the exploitation of Dar-Zarrouk (D-Z) parameters which
were deduced from the quantitative interpretation of 80 Schlumberger Vertical
Electrical Sounding VES points distributed in six profiles within the Sinjar plain
area which bounded by the coordinates:Latitudes :35P
o
P 22P

P 00P
’’
P S – 36P
o
P 22P

P 00P
’’
P N ;
longitudes : 41P
o
P 36P

P 00P
’’
PW – 43P
o
P 00P

P 00P
’’
P E. The VES field data were provided by the
Iraqi general commission of groundwater. The VES field readings were interpreted
manually by applying the (auxiliary point -partial resistivity curve matching)
method, th

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Publication Date
Fri Jul 01 2022
Journal Name
Iraqi Journal Of Science
Pre-Planning of Casing Seat Position to Choose Optimum Equivalent Circulation Density to prevent lost circulation
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Loss of drilling fluid in the Nasiriyah oil field can be considered as a big,
serious, and expensive problem at the same time, therefore accurate and integrated
program must be prepared before start drilling in layers that are likely to get loss
circulation. From the available data of well Ns-13, the area of loss was detected in
five layers, which are Dammam, Um- radoma, Tayarat, Shiranish and Hartha since
these layers contain natural cracks and high porosity represented by vugs.
Methods of prevention have been identified by specifying the minimum values
of drilling parameters to reduce hydrostatic pressure, thus reducing equivalent
density of drilling mud during the circulation, depths of casing shoes is
deter

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