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First-Principles Analysis of Cr-Doped SrTiO 3 Perovskite as Optoelectronic Materials
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The influence of Cr3+ doping on the ground state properties of SrTiO 3 perovskite was evaluated using GGA-PBE approximation. Computational modeling results infered an agreement with the previously published literature. The modification of electronic structure and optical properties due to Cr3+ introducing into SrTiO 3 were investigated. Structural parameters assumed that Cr3+ doping alters the electronic structures of SrTiO 3 by shifting the conduction band through lower energies for the Sr and Ti sites. Besides, results showed that the band gap was reduced by approximately 50% when presenting one Cr3+ atom into the SrTiO 3 system and particularly positioned at Sr sites. Interestingly, substituting Ti site by Cr3+ led to eliminating the band gap indicated a new electrical case of transferring semiconducting material into a conducting material which intern enhance conductivity. Furthermore, it was found that Cr 3+ doping either at Sr or Ti positions could effectively develop the SrTiO3 dielectric constant properties. In addition, the absorption spectra was extended to cover the visible light region of the electromagnetic radiation, indicating the capability of this compound in harvesting sunlight for solar cell applications. Consequently, it can be said that Cr 3+ is an effective dopant which opening up new prospects for various industrial and technological applications.

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Publication Date
Mon Oct 01 2018
Journal Name
Data In Brief
Chemical and structural data of (1, 2, 3-triazol-4-yl) pyridine-containing coordination compounds
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The data presented in this paper are related to the research article entitled “Novel dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3 ]pyridine-κN})metal(II) coordination compounds of seven transition metals (Mn, Fe, Co, Ni, Cu, Zn and Cd)” (Conradie et al., 2018) [1]. This paper presents characterization and structural data of the 2-(1-(4-methyl-phenyl)-1H-1,2,3-triazol-1-yl)pyridine ligand (L2 ) (Tawfiq et al., 2014) [2] as well as seven dichloro(bis{2- [1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3 ]pyridine-κN})metal (II) coordination compounds, [M(L2 )2Cl2], all containing the same ligand but coordinated to different metal ions. The data illustrate the shift in IR, UV/VIS, and NMR (for diamagnetic complexes) peaks wh

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Publication Date
Sun Jun 16 2013
Journal Name
International Journal For Sciences And Technology
Synthesis and Characterization of Some New Thiazine-4-Ones Containing 1, 3, 4-Thiadiazole Moiety
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Small ring heterocycles containing nitrogen and sulfur have been under investigation for a long time because of their important medicinal properties. Among the wide range of heterocycles explored to develop pharmaceutically important molecules, thiadiazoles had played an important role in medicinal chemistry. A survey of literature had shown that compounds having thiadiazole nucleus possess a broad range of biological activities such as anti-inflammatory (1), antibacterial (2), and antifungal activities (3). Thiazine-4-one and their derivatives are import classes of compounds in organic and medicinal chemistry. The thiazine-4-one ring system is a core structure in various synthetic pharmaceutical agents, displaying a broad spectrum of biolo

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Publication Date
Sun Apr 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Classification and Construction of (k,3)-Arcs on Projective Plane Over Galois Field GF(9)
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  In this work, we construct and classify the projectively distinct (k,3)-arcs in PG(2,9), where k ≥ 5, and prove that the complete (k,3)-arcs do not exist, where 5 ≤ k ≤ 13. We found that the maximum complete (k,3)-arc in PG(2,q) is the (16,3)-arc and the minimum complete (k,3)-arc in PG(2,q) is the (14,3)-arc. Moreover, we found the complete (k,3)-arcs between them.

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Delineation of K-3 Cavity Using 2D Imaging Resistivity Technique in Haditha Area (Western Iraq)
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The 2D imaging survey was conducted across an unknown K- 3 cavity that is located in Haditha area-Western Iraq.2D measurements are collected along two intercrossing traverses above the cavity with 105m length of each one. Dipole-dipole array is performed with n-factor of 6 and a-spacing equals to 5m. The inverse models of 2D imaging technique showed clearly that the resistivity contrast between the anomalous part of cavity and background resistivity of rocks is about 800:100 Ωm .In addition, the invers models showed that the depth from ground surface to the upper roof of cavity approximately equals to 11m near the cavity operator. So, the K-3 cavity is well defined from 2D imaging with Dipole –dipole array in comparison with the actua

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Publication Date
Sun Apr 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Classification and Construction of (k,3)-Arcs on Projective Plane Over Galois Field GF(7)
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  The purpose of this work is to study the classification and construction of (k,3)-arcs in the projective plane PG(2,7). We found that there are two (5,3)-arcs, four (6,3)-arcs, six (7,3)arcs, six (8,3)-arcs, seven (9,3)-arcs, six (10,3)-arcs and six (11,3)-arcs.         All of these arcs are incomplete.         The number of distinct (12,3)-arcs are six, two of them are complete.         There are four distinct (13,3)-arcs, two of them are complete and one (14,3)-arc which is incomplete.         There exists one complete (15,3)-arc.
 

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Publication Date
Wed Jan 01 2020
Journal Name
Systematic Reviews In Pharmacy
Synthesis of New Ibuprofen Derivatives Containing (Oxothiazolidin-3-yl) Amino Moiety with Expected Biological Activity
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Nonsteroidal anti-inflammatory drugs (NSAIDs) are drugs that help reduce inflammation, which often helps to relieve pain. In this research new ibuprofen oxothiazolidnone derivatives were synthesized from the reaction of Schiff base derivatives of Ibuprofen with mercapto acetic acid VI a-c, to improve the potency and to decrease the drug's potential side effects, a new series of 4-thiazolidinone derivatives of ibuprofen was synthesized VI a-c . The characterizations of the compounds were identified by using FTIR, 1HNMR technique and by measuring the physical properties.

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Scopus
Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
SYNTHESIS AND ANTIMICROBIAL ACTIVITY OF SOME (2-AMINO-5-THIOL-1, 3, 4-THIADIAZOLE DERIVATIVES
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Five derivatives of thiadiazole were prepared with aldehydes and alkyl halides, compoundA: 2-amino-5-thiol-1,3,4- thiadiazole, compound B :2-(o-hydroxybenzylidine)amino-5-thiol-1,3,4-thiadiazole, compoundC: 2(2-butan-lidine)amino-5-thiol-1,3,4-thiadiazole, compound E: 2- amino-5-(2-Propanylthio)-1,3,4-thiadiazol) and compound F:2(o-chlorobenzylamino)-5-(2-propanyl thio)-1,3,4 thiadiazol. All prepared compounds were diagnosed by (IR) and (UV) Spectroscopy. All of those compounds were screened for their anti-microbial activity in vitro. The results show that most of the compounds A, B, C exhibited moderate to good activity against Gram-positive bacteria and the same compound exhibit low to moderate activity on most gram-negative bacte

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Publication Date
Sat Jul 22 2023
Journal Name
Journal Of Engineering
Fatigue Analysis of Hip Prosthesis
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The present work covers the analytical design process of three dimensional (3-D) hip joint prosthesis with numerical fatigue stress analysis. The analytical generation equations describing the different stem constructive parts (ball, neck, tour, cone, lower ball) have been presented to reform the stem model in a mathematical feature. The generated surface has been introduced to FE solver (Ansys version 11) in order to simulate the induced dynamic stresses and investigate the effect of every design parameter (ball radius, angle of neck, radius of neck, neck ratio, main tour radius, and outer tour radius) on the max. equivalent stresses for hip prosthesis made from titanium alloy. The dynamic loading case has been studied to a stumbling ca

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Crossref (1)
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Publication Date
Fri Feb 04 2022
Journal Name
Iraqi Journal Of Science
Analysis of Hierarchical Routing Models
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In this study, flow-based routing model is investigated. The aim of this study is to increase scalability of flow control, routing and network resources solutions, as well as to improve Quality of Service and performance of the whole system. A method of hierarchical routing is proposed. The goal coordination method alsoused in this paper. Two routing models (model with quadratic objective function and model with traffic engineering) were fully analyzed. The basic functions of the hierarchical routing model levels based on goal coordination method were addressed Both models’ convergence is also explained. The dependence of the coordination iterations number on the packet flow rates for both models is graphically shown. The results shows

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Publication Date
Sat Dec 01 2018
Journal Name
Journal Of Pharmaceutical Sciences And Research
Pryparation, characterization and biological activity of new derivatives of 2-biphenyl-3-aminomethylimidazo(1,2-a)pyrimidine
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New Fourteen compounds were synthesized in four steps. The first step included synthesis of 2-biphenyl fused ring of imidazo(1,2- a)pyrimidine from the reaction of 2-aminopyrimidine and biphenyl phenacyl bromide . The second step was introduced aldehyde group from the reaction of 2-biphenyl fused rings of imidazo(1,2-a)pyrimidine with POCl3 in presence of DMF and CHCl3. 3-Carbaladehyde derivatives of fused imidazo/pyrimidine was reacted with different aromatic amines to afford new Schiff bases. These new 3- imines derivatives was reduced by using sodiumborohydride to yield another new 3-aminomethyl-2-biphenyl imidazo (1,2-a)pyrimidine derivatives in moderate yield .Some new prepared compounds were identified by melting point, FT- IR , 13C-

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