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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
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Synthesis of New Heterocyclic Derivatives from 4-(3, 5-Dimethyl-1-phenyl-1H-pyrazol-4-ylazo)- benzoic acid
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In this work pyrazolin derivatives were prepared from the diazonium chloride salt of 4-aminobenzoic acid. Azo compounds were prepared from the reaction of an ethanolic solution of sodium acetate and calculated amount of active methylene compound namely, acetyl acetone to obtain the corresponding hydrazono derivative (1). Cyclocondensation reaction of compounds (1) with hydrazine hydrate and phenyl hydrazine in boiling ethanol affording the corresponding pyrazoline-5-one derivatives of 4-aminobenzoic acid (2,3). Then compound (3) was reacted with thionyl chloride to give the corresponding acid chloride derivative(4), followed by conversion into the corresponding acid hydrazide derivative (5) carboxylic acid thiosemicarbazide (11), esters

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Publication Date
Thu Apr 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Determination of Sialic acid, Paraoxonase-1and IgG levels in Patients with Polycystic Ovary Syndrome in Messan Female Patients
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    Polycystic ovary syndrome (PCOS) is a heterogeneous disorder . PCOS affects 6–10% of women during their reproductive life. Patients with PCOS are in the high risk for coronary heart disease because of their abnormal lipid profile, insulin resistance and obesity. The present study aimed to shed a light on the contribution of  sialic acid, paraoxonase and immunoglobulin G as a clinical indicator in the pathogenesis of PCOS. Seventy five female patients with age range (16-38) years taken from Al-Sadder Teaching Hospital and AlZahrawi Hospital in Governorate of    Messan through the period from July 2013 to December 2013 and twenty five apparently health subject as a control group were

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Publication Date
Tue Jan 02 2018
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Humoral immune factor changes in group of patients with Non-muscle invasive bladder cancer treated with intravesical therapy.
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Background: Bladder cancer (BC) one of the most common urologic cancer characterized by the highest recurrence rate, many types belong to BC, but most common of them worldwide are transitional cell carcinoma(TCC) which constitute about 90-95% cases, squamous cell carcinoma (SCC) and adenocarcinomas
Objective: This study was designed to evaluate parameters of humoral immunity in Non-muscle invasive (superficial or early) bladder cancer patients in Iraq that may provide a new insight into the future of immunotherapies development and BC management.
Materials and methods: Fifty-nine volunteer's patients ranged from 24 to 83years old, and 30 control individuals ranged from 51-80 years old, who attended and admitted to Hospital of Gazi

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Publication Date
Wed Jun 01 2016
Journal Name
Journal Of Economics And Administrative Sciences
Strategic Risk's Variation as a function of Competitive Intelligence Investment - An applied research on some Iraqi's manufacturing Companies –
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ABSTRUCT

          The main aim of this research has been associated with the study of relationship between competitive intelligence and strategic risk, and to deduct their specific trends, which are interpreted as predicted by research hypotheses according to a review of literature including prior studies. The basic theme  of these hypotheses is related to the probability that declining levels of strategic risk and competitive positions of industrial companies is dependent upon the growing capacity to stay ahead of competitors in the market.

    A purposive non-random

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Publication Date
Fri Sep 01 2023
Journal Name
Journal Of Building Engineering
Discharge performance assessment of a vertical double-pipe latent heat storage unit equipped with circular Y-shaped fins
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This paper aims to study the effect of circular Y-shaped fin arrangement to improve the low thermal response rates of a double-tube heat exchanger containing Paraffin phase change material (PCM). ANSYS software is employed to perform the computational fluid dynamic (CFD) simulations of the heat exchanger, including fluid flow, heat transfer, and the phase change process. The optimum state of the fin configuration is derived through sensitivity analysis by evaluating the geometrical parameters of the Y-shaped fin. For the same height of the fins (10 mm), the solidification time is reduced by almost 22%, and the discharging rate is enhanced by almost 26% using Y-shaped fins compared with the straight fins. The results demonstrate that the sol

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Publication Date
Sat Apr 30 2022
Journal Name
Iraqi Journal Of Science
Lithology Evaluation of Nahr Umr Formation Using AI with Vp/Vs relationship at Amara Oil Field, Southern Iraq
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The litholog     of Nahr Umr Formation was evaluated using the Acoustic Impedance (AI), Vp/Vs ratio cross plot colored by petrophysical properties (Vsh, PHIT, PHIE, and Sw) in Am-6-Am-10 wells. Bulk density is an important physical property that reflects matrix density and fluid density that exist in rocks pores. It is used as the main parameters to estimate physical characteristics (porosity, water saturation, shale volume, and others). AI was calculated using RHOB and VP logs. Shear velocity was calculated using Greenberg Castagna equations used for estimating the Vp/Vs ratio and the result Showed that the Nahr Umr Formation is composed of two main lithological units. The upper unit (depth 3540m -3672m) is composed of limestone (li

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Publication Date
Wed Jan 01 2014
Journal Name
The Scientific World Journal
Heat Transfer Enhancement of Laminar Nanofluids Flow in a Circular Tube Fitted with Parabolic-Cut Twisted Tape Inserts
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Numerical investigation has been carried out on heat transfer and friction factor characteristics of copper-water nanofluid flow in a constant heat-fluxed tube with the existence of new configuration of vortex generator using Computational Fluid Dynamics (CFD) simulation. Two types of swirl flow generator: Classical twisted tape (CTT) and Parabolic-cut twisted tape (PCT) with a different twist ratio (y= 2.93, 3.91 and 4.89) and different cut depth (w= 0.5, 1.0 and 1.5 cm) with 2% and 4% volume concentration

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Publication Date
Thu Dec 01 2022
Journal Name
Chemical Data Collections
Removal of an anionic Eosin dye from aqueous solution using modified activated carbon prepared from date palm fronds
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Publication Date
Sun Jan 01 2017
Journal Name
Journal Of Pharmacy And Biological Sciences
Effect of Oral Zinc Sulfate on Local Inflammatory Cytokines Level in Iraqi Women Infected With Human Papillomavirus (HPV)
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This study was aimed to monitor oral zinc sulfate role on local cervical proinflammatory cytokines in HPV-infected women comparing with these cytokines before treatment application. A cervical secretion got from 28 infected women before and after treatment with zinc sulfate, these samples assessed various markers of inflammation including interleukin-1β, IL-8, and IL-12. Results manifested that improve and clear the cervical HPV infections after three months of zinc treatment 46.43% and 21.43%, respectively. Viral infections with single and multiple HPV high-risk types are raising of studied cytokines after 3-month compared with single HPV low-risk type. Moreover, this increasing was statistically significant only in IL-12 and IL-1. Women

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Publication Date
Sun Apr 04 2010
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Molecular diagnosis of bcr-abl fusion gene in CML patients using Monoplex-Two Steps- Reveres Transcriptase–Polymerase Chain
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Background: Chronic myeloid leukemia (CML) is a stem cell disorder associated with an acquired chromosomal abnormality, Philadelphia chromosome (Ph), which arises from the reciprocal translocation of part of long arm of chromosome 9, in which proto-oncogene ablson gene (abl) is located, to long arm of chromosome 22, in which break point cluster region gene (bcr) is located. The bcr-abl fusion gene can be detected using several molecular methods. For its simplicity, rapidity, and sensitivity, Reverse Transcriptase-Polymerase Chain Reaction (RT-PCR) is one of the most common techniques used for analyzing whether a target gene is being expressed or not.
Patients and methods: Venous blood (VB) sample from hem

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