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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
Sat Apr 30 2022
Journal Name
Iraqi Journal Of Science
Measurements and Calculations of parametrs of Zinc Oxide Plasma Produced by Laser induced Breakdown Spectroscopy
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          In this work, the optical emission characteristics of the ZnO plasma were presented. The plasma parameters: electron temperature (Te), electron density( ne), plasma frequency (fp) and Debye length (λD) were  studied with  a spectrometer that collects the spectrum ZnO plasma in air produced by Nd:YAG laser,(λ=1064 nm) at ratio X=0.5 in the range of energy of (700-1000 mJ), duration (10 ns). The Boltzmann plot methodwas employed to calculate the electron temperature (Te), while the Stark broadening  was used to determine the electron density (ne), Debye duration (λD), and plasma frequency (fp).  Te, ne, and fp

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Publication Date
Fri Aug 28 2020
Journal Name
Iraqi Journal Of Science
Biosorption of Lead and Chromium Ions by Using Penicillium digitatum (Pers.) Sacc. from Industrial Water
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Some microorganisms, including fungi, are characterized by their removal efficiency and reducing the concentrations of heavy metals such as Pb and Cr from industrial water. The present study aims to estimate the efficiency of Penicillium digitatum (Pers.) Sacc. as a low-cost biosorbent in reducing Pb and Cr from industrial water with optimum biosorption conditions (acidity of 1.5 , 4, and 5; temperature of 30 °C). The Fourier transform infrared spectroscopy (FTIR) analysis was also used for determining the roles of the functional groups in this biosorbent. The results indicated that the highest P. digitatum efficiency values for reducing the levels of Pb and Cr were 84% and 70% , respectively, at pH of 5 after 24 h.

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Publication Date
Sun Feb 25 2024
Journal Name
Baghdad Science Journal
Early Diagnose Alzheimer's Disease by Convolution Neural Network-based Histogram Features Extracting and Canny Edge
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Alzheimer's disease (AD) increasingly affects the elderly and is a major killer of those 65 and over. Different deep-learning methods are used for automatic diagnosis, yet they have some limitations. Deep Learning is one of the modern methods that were used to detect and classify a medical image because of the ability of deep Learning to extract the features of images automatically. However, there are still limitations to using deep learning to accurately classify medical images because extracting the fine edges of medical images is sometimes considered difficult, and some distortion in the images. Therefore, this research aims to develop A Computer-Aided Brain Diagnosis (CABD) system that can tell if a brain scan exhibits indications of

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Publication Date
Mon Mar 01 2021
Journal Name
Desalination And Water Treatment
Extraction model to remove antibiotics from aqueous solution by emulsion and Pickering emulsion liquid membrane
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Publication Date
Mon Jan 05 2009
Journal Name
J. Duhok Univ
The role of red pigment produced by Serratia marcescens as antibacterial and plasmid curing agent
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Publication Date
Wed Apr 01 2020
Journal Name
Iop Conference Series: Earth And Environmental Science
Study for the Informal Settlement Supposed to Be Distributed by the Iraq Government for Poor People in Baghdad City - Republic of Iraq
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This paper set forth the spatial suitability of the informal settlement supposed to be distributed by the Iraqis government to poor people. The Iraqi government identified 9 locations of informal settlement in Baghdad city and acceptance it as a reality as a help for them to getting home. In this paper I discovered the suitability of those locations which one will be suitable more than others for living. The analysis process was applied using the GIS environment – spatial analysis. According to the results, It has been identified as the most important measures to identify which one of these areas suitable for development for housing by using some criteria (Distance from the city center, Proximity from transport routes, Proximity of high v

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Publication Date
Fri Aug 30 2024
Journal Name
Iraqi Journal Of Science
The Dissipation of the Kinetic Energy for 2D Bounded Flow by Using Moment-Based Boundary Conditions with Burnett Order Stress for LBM
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     In this article, the lattice Boltzmann method with two relaxation time  (TRT)  for the  D2Q9 model is used to investigate numerical results for 2D flow. The problem is performed to show the dissipation of the kinetic energy rate and its relationship with the enstrophy growth for 2D dipole wall collision. The investigation is carried out for normal collision and oblique incidents at an angle of . We prove the accuracy of moment -based boundary conditions with slip and Navier-Maxwell slip conditions to simulate this flow. These conditions are under the effect of Burnett-order stress conditions that are consistent with the discrete Boltzmann equation. Stable results are found by using this kind of boundary condition where d

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Publication Date
Wed Apr 07 2010
Journal Name
Ibn Al-haitham Journal For Pure And Applied Science
Synthesis and Spectral Studies for new Schiff base and its Binuclear Complexes with ZnII,CdII and HgII
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A new ligand (H4L) and its complexes with ( ZnII, CdII and HgII) were prepared. This ligand was prepared in two steps. In the first step a solution of terephthaldehyde in methanol was reacted under reflux with 1,2-phenylenediamine to give an precursor compound which reacted in the second step with 2,4-dihydroxybenzaldehyde to give the ligand. The complexes were then synthesized by direct reaction of the corresponding metal chloride with the ligand. The ligand and complexes were characterized by spectroscopic methods FT-IR, UV-Vis, 1 HNMR, and atomic absorption, chloride content, HPLC, mole-ratio determination. in addition to conductivity measurement. The data of these measurements suggest a distorted tetrahedral geometry for ZnII, C

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Publication Date
Wed May 31 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Spectral Studies for new Schiff base and its Binuclear Complexes with ZnII,CdII and HgII
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     A new ligand (H4L) and its complexes with ( ZnII, CdII and HgII) were prepared. This ligand was prepared in two steps. In the first step a solution of terephthaldehyde in methanol was reacted under reflux with 1,2-phenylenediamine to give an precursor compound which reacted in the second step with 2,4-dihydroxybenzaldehyde to give the ligand. The complexes were then synthesized by direct reaction of the corresponding metal chloride with the ligand. The ligand and complexes were characterized by spectroscopic methods FT-IR, UV-Vis, 1HNMR, and atomic absorption, chloride content, HPLC, mole-ratio determination. in addition to conductivity measurement. The data of these measurements suggest a distorted tetrahedral g

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Publication Date
Mon Nov 05 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Evaluation of Aqueous and Ethanolic Extraction for Coriander Seeds, Leaves and Stems and Studying their Antibacterial Activity
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Objective: To evaluate two kinds of extraction (aqueous and ethanolic) for coriander using seeds, leaves and stems and
studying their antibacterial activity against nine different microorganisms.
Methodology: Coriander was selected to carry out this study. Seeds, leaves and stems were collected from local markets in
Baghdad then dried in shade for at least 10 days and grinded to fine powder. Aqueous hot extracts for 1hr. at (50
c) and
cold extracts for 24 hrs at (4
c) were performed by using seeds, leaves and stems then studied antibacterial effect against
nine different microorganisms by using well diffusion technique. Cold aqueous extracts of coriander seeds for 48 hrs. and
72 hrs and ethanolic extraction

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