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Bonding, Aromaticity and Isomerization of Furfuraldehyde through <i>Off</i> ‐Nucleus Isotropic Magnetic Shielding
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Off-nucleus isotropic magnetic shielding (σiso(r)) and multi-points nucleus independent chemical shift (NICS(0-2 Å)) index were utilized to find the impacts of the isomerization of gas-phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional (1D to 3D) grids of ghost atoms (bqs) were used as local magnetic probes to evaluate σiso(r) through gauge-including atomic orbitals (GIAO) at density functional theory (DFT) and B3LYP functional/6-311+G(d,p) basis set level of theory. 1D σiso(r) responses along each bond of FD were examined. Also, a σiso(r) 2D-scan was performed to obtain σiso(r) behavior at vertical heights of 0–1 Å above the FD plane in its cis, transition state (TS) and trans forms. New techniques for evaluating 2D σiso(r) cross-sections are also included. Our findings showed that bonds in cyclic and acyclic parts of FD are dissimilar. Unlike the C−O bond of furanyl, the C=O bond of the formyl group is magnetically different. C−C and C−H bonds in furanyl are found similar to those in aromatic rings. A unique σiso(r) trend was observed for the C2−C6 bond during FD isomerization. Based on NICS(0-2 Å) values, the degree of aromaticity follows the order of cis FD

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Publication Date
Sat Aug 01 2015
Journal Name
Materials Science And Engineering: C
Antibacterial activity of magnetic iron oxide nanoparticles synthesized by laser ablation in liquid
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In this study, (50–110 nm) magnetic iron oxide (α-Fe2O3) nanoparticles were synthesized by pulsed laser ablation of iron target in dimethylformamide (DMF) and sodium dodecyl sulfate (SDS) solutions. The structural properties of the synthesized nanoparticles were investigated by using Fourier Transform Infrared (FT-IR) spectroscopy, UV–VIS absorption, scanning electron microscopy (SEM), atomic force microscopy (AFM), and X-ray diffraction (XRD). The effect of laser fluence on the characteristics of these nanoparticles was studied. Antibacterial activities of iron oxide nanoparticles were tested against Gram-positive; Staphylococcus aureus and Gram-negative; Escherichia coli, Pseudomonas aeruginosa and Serratia marcescens. The results sh

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Publication Date
Thu Dec 23 2021
Journal Name
Iraqi Journal Of Science
The Effect of Magnetic Water on The Production and Physiological Traits in The Quail (Coturnix coturnix (Linnaeus, 1758))
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An experiment is conducted to determine the effect of magnetic water on the production performance and blood characteristics of common quail, Coturnix coturnix (Linnaeus, 1758). The experimental treatments included T1 = control treatment, T2 = drinking water magnetization at1000 gauss, T3 = drinking water magnetization at 1500 gauss, T4 = diet sprayed with magnetized water 1000 gauss, T5 = diet sprayed with magnetized water 1500 gauss, each treatment with three replicates. The results showed significant superiority of control group in the body weight, weight gain and feed intake compared with treated groups. The egg shell thickness of T2 showed a significant decrease compared to other groups. The third treatment showed

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Publication Date
Fri Dec 01 2023
Journal Name
Case Studies In Construction Materials
Enhancing asphalt binder performance through nano-SiO2 and nano-CaCO3 additives: Rheological and physical insights
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During the last two decades, nanomaterial application has gained a significant attraction into asphalt technology due to their effect in enhancing asphalt binder improving the asphaltic mixture. This study will modify the asphalt binder with two different nano types, nano SiO2 and CaCO3, at levels ranging from 1% to 7%. The resulting optimum nano-modified Asphalt will be subject to a series of rheological tests, including dynamic shear rheometer (DSR), Viscosity, and bending beam rheometer (BBR) to determine asphalt binder sensitivity towards low-medium-high temperature range. Results indicate that both nano types improved the physical characteristics of Asphalt, and 5% by weight of Asphalt was suggested as a reasonable dosage of nano-SiO2

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Publication Date
Sat Sep 23 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Isoscaler and isovector for one body of magnetic dipole transitions of Ba(A=130- 136) isotopes using IBM-1
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Isoscalar   and  isovector   for  one   body  of  magnetic   dipole transitions    of   even even   Ba   (A=l30-136)  isotopes   have   been calculated using IBM-1 . The present calculations are predicted that the maximum   values    of   magnetic    dipole   reduced   matrix   clement (11  II fr.·Hil lll1 

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Publication Date
Wed May 15 2024
Journal Name
Ieee Sensors Journal
Surface Crack Size Estimation Based on Quantification and Decoupling of Magnetic Flux Leakage (MFL) Signals of Circular Array Sensors
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Publication Date
Sat Feb 26 2022
Journal Name
Iraqi Journal Of Science
Recent Development-1 of CADTEL Software: The Resolution and Focusing Parameters Affecting at the Properties of Electron Magnetic Lenses
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     Computer Aided Designing Tools of Electron Lenses (CADTEL) is a software packages cares about design, compute and plot simultaneously of the objective and projector properties of electron magnetic lenses. The developments in CADTEL software leads to contain a large fields and methods, adding to previous publish in 2013. The current improvement  is inserting of some  important parameters which are the resolution and focusing parameters. These parameters are angular semi-angle (α), focusing power (β), resolution limit (δ), image rotation (θ), spherical aberration (Cs), defocus (ΔZ), wave aberration (Χwab), depth of field (Dfld), and depth of focus (Dfoc) a

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Publication Date
Thu Sep 01 2022
Journal Name
Iraqi Journal Of Physics
Calculation of the Magnetic Dipole and Electric Quadrupole Moments of some Sodium Isotopes using Shell Model with Skyrme Interaction
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         In the present work, the magnetic dipole and electric quadrupole moments for some sodium isotopes have been calculated using the shell model, considering the effect of the two-body effective interactions and the single-particle potentials. These isotopes are; 21Na (3/2+), 23Na (3/2+), 25Na (5/2+), 26Na (3+), 27Na (5/2+), 28Na (1+) and, 29Na (3/2+). The one-body transition density matrix elements (OBDM) have been calculated using the (USDA, USDB, HBUMSD and W) two-body effective interactions carried out in the sd-shell model space. The sd shell model space consists of the active 2s1/2, 1d5/2,

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Publication Date
Wed Aug 30 2023
Journal Name
Iraqi Journal Of Science
Computational Study of the Flow of Newtonian Fluid Through A Straight Channel and Lid-Driven Cavity
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     This article aims to introducenumerical study of two different incompressible Newtonian fluid flows. The first type of flow is through the straight channel, while the second flow is enclosed within a square cavity and the fluid is moved by the upper plate at a specific velocity. Numerically, a Taylor-Galerkin\ pressure-correction finite element method (TGPCFEM) is chosen to address the relevant governing equations. The Naiver-Stoke partial differential equations are usually used to describe the activity of fluids. These equations consist of the continuity equation (conservation of mass) and the time-dependent conservation of momentum, which are preserved in Cartesian coordinates. In this study, the effect of Reynolds number (

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Publication Date
Sat Jul 23 2022
Journal Name
Environmental Monitoring And Assessment
Impact of using magnetic water on the micro structure of leached saline-sodic soil
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Publication Date
Tue Jun 20 2023
Journal Name
Baghdad Science Journal
Assessment of image quality of cervical spine complications using Three Magnetic Resonance Imaging Sequences
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Examining and comparing the image quality of degenerative cervical spine diseases through the application of three MRI sequences; the Two-Dimension T2 Weighed Turbo Spin Echo (2D T2W TSE), the Three-Dimension T2 Weighted Turbo Spin Echo (3D T2W TSE), and the T2 Turbo Field Echo (T2_TFE). Thirty-three patients who were diagnosed as having degenerative cervical spine diseases were involved in this study. Their age range was 40-60 years old. The images were produced via a 1.5 Tesla MRI device using (2D T2W TSE, 3D T2W TSE, and T2_TFE) sequences in the sagittal plane. The image quality was examined by objective and subjective assessments. The MRI image characteristics of the cervical spines (C4-C5, C5-C6, C6-C7) showed significant difference

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