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Ab–Initio large unit cell calculations of the electronic structure of Si and Ge nanocrystals
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Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have stronger directional bonds that in their bulk structure. The surface states are found to be mostly non-degenerated because of the effect of surface discontinuity and the existence of oxygen atoms. Valence and conduction bands are found to be wider on the surface due to the splitting of energy levels due to the existence of oxygen atoms. The present method can be used to investigate the electronic structure of bulk, surface and nanocrystals.

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Publication Date
Mon Jun 27 2022
Journal Name
. J Pharm Negative Results
Synthesis, Antioxidant, antibacterial and docking structure of new dihydro-pyrimidine derivatives containing multi phenol
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Newly series of 6,6’-((2-(Aryl)dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene))bis(2-methoxy phenol) (3a-i) were synthesized from cyclization of 6,6’-((propane-1,3-diylbis (azanediyl)) bis(methylene)) bis(2-methoxyphenol) with several aryl aldehyde in the presence of acetic acid. The newly compounds characterized from their IR, NMR and EIMs spectra. The antioxidant capacity of these compounds screened by utilizing DPPH and FRAP assays. Compounds 3g and 3i exhibited significant antioxidant capability in both assays. Docking study for these compounds as a potential inhibitors of gyrase enzyme were carried out. Compound 3g exhibited significant inhibition with binding free energies (DG) higher than novobiocin. compounds 2, 3a, 3b, 3

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Publication Date
Thu May 18 2023
Journal Name
Journal Of Engineering
Optimal Dimensions of Small Hydraulic Structure Cutoffs Using Coupled Genetic Algorithm and ANN Model
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A genetic algorithm model coupled with artificial neural network model was developed to find the optimal values of upstream, downstream cutoff lengths, length of floor and length of downstream protection required for a hydraulic structure. These were obtained for a given maximum difference head, depth of impervious layer and degree of anisotropy. The objective function to be minimized was the cost function with relative cost coefficients for the different dimensions obtained. Constraints used were those that satisfy a factor of safety of 2 against uplift pressure failure and 3 against piping failure.
Different cases reaching 1200 were modeled and analyzed using geo-studio modeling, with different values of input variables. The soil wa

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Publication Date
Wed Apr 01 2020
Journal Name
Aajps
Morphological description and histological structure of Gallbladder in local adult chicken Gallus gallus domesticus
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The present study aimed to investigate the morphological description and histological structure of Gallbladder in the adult local chicken bird. The morphological description and histological structure of the Gallbladder in the local chicken Gallus gallus domesticus found in the form of a cystic, spindle or pear-shaped, dark green color, located within the visceral abdominal side of the right lobe of the liver, histologically it was found that its wall consisted of three tunicae. The first tunica is mucosa which consists of an epithelial lining layer and lamina propria layer, while the muscularis mucosa was missing. The second tunica is musclaris, which is composed of smooth circularly arranged muscle fibers, and the third tunica is serosa o

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Publication Date
Mon Aug 04 2014
Journal Name
Photonic Sensors
Crystalline structure and surface morphology of tin oxide films grown by DC reactive sputtering
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Publication Date
Mon Dec 01 2014
Journal Name
Photonic Sensors
Crystalline Structure and Surface Morphology of Tin Oxide Films Grown by DC Reactive Sputtering
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Abstract: Tin oxide thin films were deposited by direct current (DC) reactive sputtering at gas pressures of 0.015 mbar – 0.15 mbar. The crystalline structure and surface morphology of the prepared SnO2 films were introduced by X-ray diffraction (XRD) and atomic force microscopy (AFM). These films showed preferred orientation in the (110) plane. Due to AFM micrographs, the grain size increased non-uniformly as the working gas pressure increased.

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Publication Date
Sat Dec 31 2016
Journal Name
Journal Of Madenat Alelem
Morphological Description and Histological Structure of Kidney in Iraqi Black Partridge Francolinusfrancolinus (Linnaeus, 1766)
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Publication Date
Thu Jan 12 2023
Journal Name
Journal Of Inorganic And Organometallic Polymers And Materials
Nanoarchitectonics of Silver/Poly (Methyl Methacrylate) Films: Structure, Optical Characteristics, Antibacterial Activity, and Wettability
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Publication Date
Mon Feb 23 2026
Journal Name
Baghdad Science Journal
Determination of Mebeverine – HCl Using 3, 5–Dinitrosalicylic Acid and Multiple Continuous Flow Cell That Works as a Solo Flow Cell with 4S×3 – 3D Analyzer
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A new method, simple and sensitive was utilized in determining mebeverine – HCl (MB-HCl) (3, 4-Dimethoxy benzoic acid ethyl 2, 4 methoxy4-phenyl-1-methyl ethyl amino-butyl ester) in pure and pharmaceutical formulations via utilization this multiple continuous flow cell. The method is dependent on genesis for complex of ion pair(4-((3, 4-dimethoxybenzoyl) oxy)-N-ethyl-N-(1-(4-methoxyphenyl) propan-2-yl) butan-1-aminium-2-hydroxy-3,5- dinitrobenzoate) among mebeverine–HCl (MB-HCl) and 3,5-Dinitrosalicylic acid (3,5-DNSA) in ammonium acetate middle to configure a whiteish yellow precipitate compound via utilizing multiple continuous flow cell that works as a solo flow cell with 4S×3 – 3D analyzer. Optimum parameters were studied to rai

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Publication Date
Fri Jun 30 2023
Journal Name
Biomedical And Pharmacology Journal
Study the Bacterial Activity Isolated from Colon and Rectal Cancer Biopsy in Cell Lines Culture
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Colorectal cancer (CRC) is the most common disease and cause of death globally. The aim of the study is investigation and detection of some bacterial interfering with CRC occurrence and progression. The study conducted between September 2022 till February 2023, a total of 50 specimens were collected from confirmed CRC patients. In addition, 50 stool specimens were collected from Healthy volunteers, considers as control group. Isolation and identification of bacteria in all collected specimens were done by using cultural and differential media (blood agar, macconkey agar and Pfizer agar), as well as the VITEK- 2 compact system. The bacterial species, in the specimens of control were ( Escherichia coli 50 (86.20%), Klebsiella Pneumoni

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Publication Date
Sun Sep 27 2020
Journal Name
Iraqi Geological Journal
ROCK JOINTS ANALYSIS TO DETERMINE THE MAIN STRESS FIELD IN BUSTANAH STRUCTURE NORTHEAST OF IRAQ
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Joints are among the most widespread geologic structures as they are found in most each exposure of rock. They differ greatly in appearance, dimensions, and arrangement, besides they occur in quite different tectonic environments. This study is important because joints provide evidence on what kind of stress produced them (history of deformation) and also because they change the characteristics of the rocks in which they occur. The Measured data of joints from the studied area which are located in the high folded zone – Northeast of Iraq, were classified according to their relationship with the tectonic axes by projecting them stereographically using Schmidt net in GEOrient ver.9.5.0 software. The joint systems revealed the orientation of

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Scopus (5)
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