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Reaction pathways and transition states of the C-C and C-H bond cleavage in the aromatic pyrenemolecule - A Density Functional study
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The activation and reaction energies of the C-C and C-H bonds cleavage in pyrene molecule are calculated applying the Density Functional Theory and 6-311G Gaussian basis. Different values for the energies result for the different bonds, depending on the location of the bond and the structure of the corresponding transition states. The C-C bond cleavage reactions include H atom migration, in many cases, leading to the formation of CH2 groups and H-C≡C- acetylenic fragments. The activation energy values of the C-C reactions are greater than 190.00 kcal/mol for all bonds, those for the C-H bonds are greater than 160.00 kcal/mol. The reaction energy values for the C-C bonds range between 56.497 to 191.503 kcal/mol. As for the C-H cleavage reactions the activation energies range from 163.535 to 165.116 kcal/mol, the reaction energies are nearly constant, 117.500kcal/mol. The geometries of the transition states and reaction products are discussed too.

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Publication Date
Mon Jun 01 2020
Journal Name
Iraqi Journal Of Physics
A Calculation real abundance of gaseous elements of the comet PanSTARRS C/2011 S4
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    X-ray emission contains some of the gaseous properties is produced when the particles of the solar wind strike the atmosphere of comet ISON and PanSTARRS Comets. The data collected with NASA Chandra X-ray Observatory of the two comets, C/2012 S1 (also known as Comet ISON) and C/2011 S4 (Comet PanSTARRS) are used in this study.

   The real abundance of the observed X-ray spectrum elements has been extracted by a new simple mathematic model. The study found some physical properties of these elements in the comet’s gas such as a relationship between the abundance with emitted energy. The elements that have emission energy (2500-6800) eV, have abundance (0.1-0.15) %, while the elements

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Publication Date
Mon Mar 06 2023
Journal Name
Rheumatology (bulgaria)
Tenascin-C and Interleukin-17 Up-regulation in Axial Spondyloarthritis Patients
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Background: Axial spondyloarthritis (axSpA) is an inflammatory, systemic rheumatic condition that mostly affects the axial skeleton. Tenascin-C (TN-C) is a hexameric glycoprotein of considerable size, upregulated in many inflammatory conditions, while Interleukin-17 (IL-17) a cytokine that plays an important role in SpA symptoms. Objective: to investigate the upregulation between the serum levels of TN-C and IL-17 in Iraqi axSpA patients and the disease characteristics. Patients and Methods: Seventy-four axSpA patients and 28 matched controls were studied. Fifty-four patients received a tumor necrosis factor inhibitor (TNFi) and 20 did not. Serum TN-C and IL-17 concentrations were determined using the ELISA technique. The Bath Ankyl

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Publication Date
Sun Dec 01 2013
Journal Name
Baghdad Science Journal
Studying the possibility of confection of hepatitis C and hepatitis G viruses in Iraqi patients
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The aim of this study was spot light to the possibility of confection between hepatitis C&G viruses in Iraqi patients. The groups was studied included two groups as follow: 1- first group: its (Infected group) the patients of this group have Anti-HCV abs in their serum by using Indirect ELISA technique. 2- second group: its (Control group) the persons of this group have no Anti-HCV abs in their serum by using indirect ELISA technique. The result of this study was observed there was two patients from the first group have Anti-HGVabs in their serum with infection percent 2.70%, also the same result was found in the second group wich mean there was two persons have Anti-HGVabs in their serum with infection percent 8.33% .So when we comparin

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Publication Date
Sat May 31 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Immunohistochemical expression of Fas/Fasligand and c-Myc in oral lichen planus
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Background: Oral Lichen Planus is a chronic inflammatory mucosal disease, presenting in various clinical forms .Both antigen-specific and non-specific mechanisms involved in the pathogenesis of OLP. Apoptosis or programmed-cell death is a physiological process essential for the normal development and maintenance of homeostasis in many organisms. Fas is a cell-surface glycoprotein, 40-kDa, that belongs to the nerve growth factor / tumor necrosis factor (TNF) receptor family. Fas is expressed in several tissues including blood, where its expression is upregulated on activated T and B lymphocytes and natural killer cells. Fas ligand is a type II transmembrane protein that belongs to the tumor necrosis factor family. The proto-oncogene c-Myc is

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
The Classification of Fetus Gender Based on Fuzzy C-Mean Using a Hybrid Filter
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Abstract<p>This paper proposes a new approach, of Clustering Ultrasound images using the Hybrid Filter (CUHF) to determine the gender of the fetus in the early stages. The possible advantage of CUHF, a better result can be achieved when fuzzy c-mean FCM returns incorrect clusters. The proposed approach is conducted in two steps. Firstly, a preprocessing step to decrease the noise presented in ultrasound images by applying the filters: Local Binary Pattern (LBP), median, median and discrete wavelet (DWT), (median, DWT & LBP) and (median & Laplacian) ML. Secondly, implementing Fuzzy C-Mean (FCM) for clustering the resulted images from the first step. Amongst those filters, Median & Lap</p> ... Show More
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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Structural and Electrical Properties Dependence on annealing temperature of a-Ge:Sb/c-Si Heterojunction
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 In this work, we are Study the effect of annealing temperature on the structure of a-Ge films doped with Sb and the electrical properties of a-Ge:Sb/c-Si heterojunction fabricated by deposition of a-Ge:Sb film on c-Si by using thermal evaporation. Electrical properties of aGe:Sb/c-Si heterojunction include I-V characteristics in dark at different annealing temperatures and C-V characteristics and with the C-V characteristics suggest that the fabricated heterojunction was abrupt type, built in potential determined by extrapolation from 1/C2-V curve and show that the built - inpotential (Vbi) for the Ge:Sb/Si system increases with the increase of annealing temperatures

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Publication Date
Fri Dec 01 2023
Journal Name
Iraqi Journal Of Physics
Characterization and Photovoltaic Effect of (Sb2O3: Metal Oxides)/ C-Si Heterojunctions
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This work concerns the synthesis of two types of composites based on antimony oxide named (Sb2O3):(WO3, In2O3). Thin films were fabricated using pulsed laser deposition. The compositional analysis was explored using Fourier transform infrared spectrum (FTIR), which confirms the existence of antimony, tungsten, and indium oxides in the prepared samples. The hall effect measurement showed that antimony oxide nanostructure thin films are p-type and gradually converted to n-type by the addition of tungsten oxide, while they are converted almost instantly to n-type by the addition of indium oxide. Different heterojunction solar cells were prepared from (Sb2O3:WO

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Publication Date
Wed Sep 22 2021
Journal Name
International Journal Of Corrosion And Scale Inhibition
Role of vitamin C in the protection of the gum and implants in the human body: theoretical and experimental studies
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The article describes a study on the role of vitamin C as a protective agent for the teeth, gum, and implants using quantum chemical calculations and polarization tests. The Density Functional Theory (DFT) at 6-311G (d, p) basis set is used to estimate the ability of vitamin C to inhibit the corrosion of the abovementioned parts. The experimental study was performed in a at human body media simulator (Hank’s balanced salt solution) at a temperature of 37°C. The compound was optimized for its ground state, physical properties, and corrosion parameters. Further, HOMO, LUMO, energy gap, dipole moment, and other parameters were used to predict the inhibitor’s efficiency. Gaussian 09, UCA-FUKUI, MGL tools, DSV, and LigPlus software was used

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Publication Date
Mon Jun 05 2006
Journal Name
College Of Education For Women
The Image of the Teacher in Selected Novels by Kingsley Amis Muriel Spark and C. P. Snow
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The study introduces the twentieth century background where the image of teacher is shaped by various factors according to the wide emergence of new educational institutions in the aftermath of the Second World War. A group of writers mirrored the influence of the war on educational institutions and accordingly on the image of teacher in their novels whose main action is set in and around the campus of a university. The genre dates back to the nineteen forties. where they show the foibles of human nature and reactions to external pressures. One of the early examples of this genre is Lucky Jim (1954). The image of teacher is swinged in many shapes from the tyrant to the rebellion to the defiant. All is personified in the characters of these

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Publication Date
Sat Jul 02 2016
Journal Name
Iraqi Medical Journal
Screeing for Hepatitis ( HBs Ag) and Hepatitis C (HCV Ab) Among Dialysis Children.
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