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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Fri Mar 03 2023
Journal Name
World Journal Of Biology Pharmacy &health Science
Ventricular septal defect in children and adults by echocardiography study in Iraqi patients
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A ventricular septal defect (VSD) is defined as a communication between the left and right ventricles or between the left ventricle and the right atrium. VSDs are amongst the most common abnormalities of the heart. They can be present in isolation or in association with other congenital cardiac abnormalities. This is study done with the aim to evaluate the types, size, associated CHD with ventricular septal defect in children and adolescent in two cardiac centers (Medical City Complex cardiac clinics, Ibn Al Nafaes teaching hospital) in Baghdad - Iraq

Publication Date
Wed Apr 12 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
the Optical Properties of Electrostatic Design and Study Mirror By using Bimurzaev Technique
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In this research a computational simulation  has been carried out on the design and properties of the electrostatic mirror and a mathematical expression has been suggested  to represent the axial potential of an electrostatic mirror. The electron beam path using the Bimurzaev  technique had been investigated as mirror trajectory with the aid of Runge – Kutta  method. The spherical and chromatic aberration coefficients of mirror has computed and normalized in terms of the focal length. The choice of the mirror depends on the operational requirements. The Electrode shape of mirror two electrodes has been determined by using package SIMION computer program. Computations have shown that the suggested potentials giv

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Publication Date
Thu Nov 05 2015
Journal Name
Spectroscopy Europe
Fast and versatile ambient surface analysis by plasmaassisted desorption/ionisation mass spectrometry
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has experienced a step-change since the inception of ambient mass spectrometry removed the requirement for samples to be investigated under vacuum conditions. Approaches based on surface– plasma interactions are especially promising, including PADI. Whilst the mechanisms involved in generating PADI spectra still need to be unravelled, PADI shows significant promise to become a valuable and versatile tool in the instrumental arsenal available to the surface analyst

Publication Date
Sat Mar 01 2014
Journal Name
Glob. J. Mol. Evol. Genom
Genetic diversity and relationships among Verbascum species in Iraq by RAPD-PCR technique
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Publication Date
Mon Mar 01 2021
Journal Name
Iraqi Journal Of Physics
Antibacterial and morphological properties of polypyrrole/silver nanocomposites synthesized by chemical oxidative polymerization
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Polypyrrole/silver (PPy/Ag) nanocomposites was synthesized via a chemical oxidative method. The AFM analysis is performed to study the surface roughness, morphology and size distribution of the PPy particles and PPy-ag nanocomposites. The results indicated that as the concentration of Ag in the nanocomposite increases, the roughness also increases. The size of nanoparticles was also evaluated and found in the range of 15 nm to 125 nm. The PPy/Ag nanocomposites exhibited an effectiveness against Gram-negative Escherichia coli showing an inhibition zone of 4mm and displayed poor efficacy against Gram-positive Staphylococcus aureus. Based on given adequate antibacterial characteristics of PPy/Ag nanocomposites, it can be identified as a pro

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Publication Date
Wed Dec 08 2021
Journal Name
J. Inf. Hiding Multim. Signal Process.
Predication of Most Significant Features in Medical Image by Utilized CNN and Heatmap.
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The growth of developments in machine learning, the image processing methods along with availability of the medical imaging data are taking a big increase in the utilization of machine learning strategies in the medical area. The utilization of neural networks, mainly, in recent days, the convolutional neural networks (CNN), have powerful descriptors for computer added diagnosis systems. Even so, there are several issues when work with medical images in which many of medical images possess a low-quality noise-to-signal (NSR) ratio compared to scenes obtained with a digital camera, that generally qualified a confusingly low spatial resolution and tends to make the contrast between different tissues of body are very low and it difficult to co

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Publication Date
Mon Feb 07 2022
Journal Name
Innovative Infrastructure Solutions
Chemical and rheological properties of reclaimed asphalt binders modified by waste engine oil
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Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
Green synthesis of gold NPs by using dragon fruit: Toxicity and wound healing
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Abstract<p>In this work, the study of <italic>Hylocereus undatus</italic> properties was done by studying quantitative phytochemical compounds and seeking for total phenolic compounds, synthesis of gold nanoparticles was created via reduction of aqueous gold ions with the aqueous fruit extract of The <italic>Hylocereus undatus</italic> (dragon). The synthesized AuNPs were asserted by using (Uv-Vis) spectrophotometer; Fourier transforms infrared (FI-IR) spectroscopy, Atomic force microscope (AFM), Scanning Electron Microscopy (SEM) Zitasizer. The absorbance for SPR is noticed in 546 nm by using Uv-Visible spectroscopy The SEM and AFM analysis evidenced the particle size betwee</p> ... Show More
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Publication Date
Sun Sep 22 2019
Journal Name
Baghdad Science Journal
Comparative Antimicrobial Activity of Silver Nanoparticles Synthesized by Corynebacterium glutamicum and Plant Extracts
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           Biosynthesis of nanoparticles has received considerable attention due to the growing need to develop environmentally benign nanoparticle synthesis processes that do not use toxic chemicals. Therefore, biosynthetic methods employing both biological agents such as bacteria and fungus or plant extracts have emerged as a simple and a viable alternative to chemical synthetic and physical method .It is well known that many microbes produce an organic material either intracellular or extracellular which is playing important role in the remediation of toxic metals through reduction of metal ions and acting as interesting Nano factories. As a result, in the present study Ag NPs were syn

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Publication Date
Sun Jun 21 2020
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Enhancement of Aqueous Solubility and Dissolution Rate of Etoricoxib by Solid Dispersion Technique
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Etoricoxib (EXB) is a highly selective cox-2 inhibitor which belongs to the non-steroidal anti-inflammatory drug (NSAID). EXB is a class II drug according to the biopharmaceutical classification system (BCS), which possess a very low aqueous solubility in water.  In the present study, many trials were made to improve the aqueous solubility and dissolution rate of EXB by solid dispersion technique.

Eighteenth EXB formulas were formulated as a solid dispersion using a variety of hydrophilic polymers (as carriers)   including poloxamer 407 (PXM 407), poloxamer 188 (PXM 188) and polyethylene glycol 4000 (PEG 4000) at different drug: polymer ratios (1:1, 1:3 and 1:5). These formulas were prepared by two methods; solvent

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