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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 Nov 01 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Impact of functional disability on lifestyle for patients with arthritis
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A descriptive study, which was using an assessment approach, was conducted for the
determination of the impact of rheumatoid arthritis and osteoarthritis patient’s functional disability
upon their life style. The study was carried out at the Rheumatology and outpatients clinics of ALKarama
Teaching Hospital, Baghdad Teaching Hospital AL-Kindey Teaching Hospital and Specialized
surgeries Teaching Hospital for the period of October 15th 2003 through May 13th 2004 in Baghdad
City. A purposive (non-probability) sample of (245) arthritis patients which was comprised (111)
rheumatoid arthritis patients and (134) osteoarthritis patients, was selected out of the early stated
settings. The questionnaire was comprised of

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Publication Date
Sun Jun 04 2017
Journal Name
Baghdad Science Journal
The Effect of Variety and Gibberellic acid and Brassinolide and their Interaction on Some of The Chemical Characteristics and Total chlorophyll of the plant Dill Anethum graveolens L.
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The experiment was carried out to study the effect of variety and gibberellic acid in concentration (0 and 50)mg.lat-1 and BL in five concentration (0, 0.50 ,1 ,2 and 3)mg.ltr-1 and their interaction in some chemical Characteristics and total chlorophyll for Dill plant . the experiment designed according Randomized Complete Block Design (RCBD) and three replicates per treatment, compared to the average using less significant difference at the level of probability (0.05) , the results showed the following:- The effect of brassinolide with it,s concentrations led to obtain a significant increase in all the studied characteristics, so the superiority of the concentration of 2 mg.L-1 of brassinolide in each of Ca, Mg,Fe, and total chlorophyll T

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Publication Date
Thu Mar 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Schiff Base Derived From Chitosan and Its Complexes With (Co+2, Ni+2 and Cu+2)
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     In this research, new Schiff base is derived from chitosan O-nitrobenzyldehyde and its complexes were synthesized. All compounds were characterized by FT-IR, UV-Visible, TGA, DTA, TG and molar conductivity with melting point. The results showed that Schiff base was coordinated via  nitrogen atom azomethine with the center metal ions Co+2,Ni+2 and Cu+2 behaving monodentate ligand and forming complexes with molecular formula [M(L)Cl2H2O] The tetrahedral geometrical was suggested for all prepared complexes based on the characterization data for all techniques.   +2,Cu+2, Ni+2M = Co   

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Publication Date
Wed Jan 08 2025
Journal Name
Journal Of Baghdad College Of Dentistry
A Study the Effect of Addition of Silanized Zirconium Oxide Nanoparticles on Some Properties of High-Impact Heat-Cured Acrylic Resin
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Background: The incorporation of rubber has not been entirely successful because it can have detrimental effects on the transverse Strength and hence the rigidity of the denture base. Materials and methods: Zirconium oxide nanoparticales were coated with a layer of trimethoxysilylpropylmethacrylate (TMSPM) before sonication in monomer (MMA) with the percentages 3% by weight then mixed with powder using conventional procedure.(100) samples were prepared and divided into five groups according to the test performed ,Each group consisted of 20 specimens and these were subdivided into 2 groupsGroup (A): control group (10 specimens of high impact acrylic resin without zirconium oxide) and Group (B):zirconium oxide group(10 specimens of high impac

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Publication Date
Wed Mar 30 2022
Journal Name
Iraqi Journal Of Science
Study of Matter Density Distributions, Elastic Electron Scattering Form factors and Root Mean Square Radii of 9C, 12N, 23Al, 11Be and 15C Exotic Nuclei
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    The ground state densities of neutron-rich (11Be,15C) and proton-rich (9C,12N,23Al) exotic nuclei are investigated using a two-body nucleon density distribution (2BNDD) with two frequency shells model (TFSM). The structure of the valence one-neutron of 11Be is in pure (1p1/2) and of 15C in pure (1d5/2) configuration, while the structure of valence one-proton configuration is in 9C,12N are to be in a pure (1p1/2) and 23Al in a pure  (2s1/2) . For our studied nuclei, an efficient (2BNDD) operator for point nucleon system folded with two-body correlation operator's functions is  u

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Preliminary Cytotoxic Study of Some Novel Furo-2-quinolone Compounds
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In this research, new series of Furo-2-quinolone [FQ] compounds have been synthesized. These novel [FQ] compounds were prepared from coumarin derivatives (Furocoumarins: psoralen and isopsoralen).Identifications of these FQ compounds were performed by using infrared spectrum (I.R), Ultraviolet spectrum (U.V) and Nuclear Magnetic Resonance spectrum (H1-NMR) besides some physical data. The cytotoxic screening involves ;using HEP-2 cell line which gave differential responses against tested compounds : 4,6 Dimethyl furo[2, 3-g] coumarin (C1), 1-(2`, 4`, Dimethoxy benzylideneimino)-2,6-dimethyl Furo [2, 3-g] quinoline-2-one (C3) and the angular psoralen of the same derivative

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Publication Date
Thu Oct 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Investigating the Structural and Magnetic Properties of Nickel Oxide Nanoparticles Prepared by Precipitation Method
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This work used the deposition method to synthesize nickel oxide nanoparticles. The materials mainly used in this study were nickel sulfate hexahydrate (as a precursor) and NaOH (as a precipitant). The properties of the nanopowder were characterized by XRD, FE-SEM, EDX, and VSM. The obtained results confirmed the presence of nickel oxide nanoparticles with a face-centered cubic (FCC) structure with a lattice constant (a=4.17834 Å). Scherer and Williamson-Hall equations were used to calculate the crystallite size of about (30.5-35.5) nm. The FE-SEM images showed that the particle shape had a ball-like appearance with a uniform and homogeneous distribution and confirmed that the particles were within the nanoscale. The presence of oxygen a

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Publication Date
Tue Apr 13 2021
Journal Name
Neuroquantology
Sintering Additives Effects on the Microstructure and Electrical Behavior of Yttrium Oxide Ceramic Composites
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Ceramics type Yttrium oxide with Silicon carbide. were selected to investigate its sintered density, microstructure and electrical properties, after adding V2O5, of 100 nm grain size. Different weight percentages ranging from (0.01,0.02,0.03 and 0.04) were used. Dry milling applied for twelve hours. The pelletized samples were sintered at atmospheric of static air and at sintering temperature 1400 ˚C, for three hours. The crustal structure test shoes the phase which is yttrium silicon carbide Scanning electron microscopy, scan sintered microstructure. Samples after sintering were electrically investigated by measuring its capacitance, dielectric constant and their results showed increasing after added V2O5 particles at the combinat

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Publication Date
Sun Apr 02 2006
Journal Name
Journal Of The Faculty Of Medicine Baghdad
a study on trichomonas vaginalis and comparison between the efficacy of metronidazole and secnizole on women in Kirkuk province
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Background:

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Publication Date
Thu Oct 01 2009
Journal Name
2009 Ieee Symposium On Industrial Electronics &amp; Applications
Assessing combinatorial interaction strategy for reverse engineering of combinational circuits
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