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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
Evaluation of α1-Antitrypsine and Reduced Glutathione in Iraqi Patients of Diabetes Mellitus Type II.
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In order to investigate the levels of reduced glutathione GSH and  α1-antitrypsine in the sera of 20 type 2 diabetic patients and 10 healthy subjects, were enrolled in this study. A significant reduction in GSH level was found in the patient group compared with control.  On the other hand a significant elevation in α1-antitrypsine in patient compared with control was observed.  Correlation between α1-antitrypsine and reduced glutathion was found to be positive (+Ve) for diabetes mellitus type2 patients and negative (-Ve) for healthy control with r values 0.257 and – 0.339 respectively.  In conclusion the depletion of GSH as antioxidant defense insured higher free radical generation in diabetic patients

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Publication Date
Wed Apr 01 2015
Journal Name
Al–bahith Al–a'alami
The Functional Construction of Advertisements in the Iraqi Press Websites
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Communication and media technologies have seen several changes in the last two decades. These changes put the basis for the emergence of communicative and media practices on several levels including political, economic, technological and artistic. And these, in turn, led to the emergence of new media trends and phenomena in various areas of media worthily to be studied and researched for example online advertisings.                                                                                          Online advert

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Publication Date
Fri Nov 29 2019
Journal Name
Iraqi Journal Of Physics
Study of Charge Density Distributions and Elastic Electron Scattering Cross Sections for some Stable Nuclei
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paper

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Publication Date
Wed Jan 20 2021
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study the Effect of Annealing on the Structural Properties of Zinc Oxide Films by Electrolysis Technique
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     Zinc oxide films (ZnO) are prepared by an electrolysis technique and without vacuum and then annealed atvarious temperatures (300,400,500)OC for an hour. The structural analysis performed by X-Ray diffraction (XRD) shows,dominant orientation of this films is plane (101), has a hexagonal structure and  polycrystalline pattern and it was is found that the crystal size increases(24,29) nm at annealing temperatures (300, 400)° C, but the crystal size decreases to (20 nm) at annealing temperature (500 ° C). As the results of a surface nature study of these films showed by examining the atomic force microscope (AFM), the grain  size increases from (60.79 to 88.11) nm, and the surface roughnes

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Publication Date
Wed Jun 01 2022
Journal Name
Innovations
Proteolytics, Their Functional Role and Practical Applications
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RMK Al-Zaid, AT Al-Musawi, SJ Mohammad

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Publication Date
Sat Dec 01 2012
Journal Name
Iraqi Journal Of Physics
Theoretical study of matter density distribution and elastic electron scattering form factors for the neutron-rich 22C exotic nucleus
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The ground state proton, neutron, and matter density distributions and corresponding root-mean-square radii (rms) of the unstable neutron-rich
22C exotic nucleus are investigated by two-frequency shell model (TFSM) approach. The single-particle wave functions of harmonic-oscillator (HO)
potential are used with two oscillator parameters bcore and bhalo. According to this model, the core nucleons of 20C are assumed to move in the model
space of spsdpf. Shell model calculations are performed with (0+2)hw truncations using Warburton-Brown psd-shell (WBP) interaction. The outer (halo) two neutrons in 22C are assumed to move in HASP (H. Hasper) model space (2s1/2, 1d3/2, 2p3/2, and 1f7/2 orbits) using the HASP interaction. The halo st

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Publication Date
Sat Dec 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Molecular Cloning of large DNA Fragments of The Sal t Tolerant wild Tetra ploid bermudagrass Cynodon Dactylon L. Using A Bacteriophage Cloning Vector 2. Ligation a nd in vitro packaging of The Recombinant Phage DNA Molecules
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This  paper represent  the second  step  i n  a molecular clon i ng program ai ming to clone large DNA  fi·agmen ts of the sal t tolerant  bermudagrass (Cyrwdon  dactylon  L.)  DNA  usi ng  the  bacteriophage  (EM13L3) as    a vector.

In th is  work, a yield of about  I 00  g bacteriophage  DNA  per one  liter culture.was obtained  with.a  purity ranging between (1.7-1.8). The vector JJNA  v.as  completely   double   digested   with  the  restriction   enzymes llamHI   and  EcoRI,  followed  by  pu

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Publication Date
Thu Apr 01 2021
Journal Name
Journal Of Molecular Structure
Mixed-ligand complexes of ampicillin derived Schiff base ligand and Nicotinamide: Synthesis, physico-chemical studies, DFT calculation, antibacterial study and molecular docking analysis
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A novel series of mixed-ligand complexes of the type, [ML1(L2)3]Clx [M= Cr(III), Fe(III), Co(II),Ni(II), Cu(II), Cd(II) and Hg(II), n = 2, 3], was synthesized using Schiff base (HL1) as main ligand, nicotinamide (L2) as secondary ligand, and the corresponding metal ions in 1:3:1 molar ratio. The main ligand, HL1 was prepared by the interaction of ampicillin drug and 4-chlorobenzophenone. The synthesized mixed ligand complexes were characterized by elemental analysis, UV-Vis, FT-IR,1H-NMR,13C-NMR and TG/DTG studies. In the mixed-ligand complexes, the Schiff base ligand, HL1 showed coordination to the central metal ion in tridentate manner via azomethine nitrogen, β-lactam ring oxygen and deprotonated carboxylic oxygen atoms, whereas the sec

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Publication Date
Mon May 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study the Influence of Sn Dopant on the Some Structural and Optical Properties of Pure Cadmium Oxide(CdO) Thin Films
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 In this research , pure Cadmium Oxide thin films were prepared by  thermal  evaporation Under  vacuum  method , where  pure cadmium  metal was  deposited on  glass  Substrate in Room temperature (300K) at thickness (400 ± 30) nm with Deposition rate(1.1 ± 0.1) nm/sec   And  then  we  oxidize a pure  cadmium  Film  in Temperature ( 350ºC ) for  one  hour  with existence air flow.       This  research  contained  study of   the  influence  of  doping  process  by  Tin metal (Sn) with two different  ratios (1,3) %  at  substrate temperature (473K ) on th

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Publication Date
Thu Mar 10 2011
Journal Name
University Of Thi-qar Journal
Negative Capability: Theory and Practice in the Poetry of John Keats
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