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Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment
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Hydrochloric acid (HCl) is a substance that is frequently utilized in industrial operations for important tasks such as chemical cleaning and pickling metallic surfaces.Therefore, the corrosion inhibition ability of three newly synthesized quinazoline derivatives namely, 3-allyl-2-(propylthio) quinazolin-4(3H)-one) (APQ), (3-allyl-2-(allylthio) quinazolin-4(3H)-one) (AAQ), (3-allyl- 2-( Prop -2-yn -1-ylthio) Quinazolin - 4 (3H) - one) (AYQ) were theoretically determined and these compounds were characterized using Fourier Transform Infra-Red (FTIR) and 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopic. A series of quantum chemical properties of these derivatives: EHOMO, ELUMO, energy gap (ΔE),dipole moment (μ), hardness (η), softness (Ϭ), absolute electronegativity (χ), fractions for electron transferred (ΔN), the ionization potential (I), (TE) and total energy were calculated. The obtained results of all quinazoline derivatives (APQ,AAQ,andAYQ) show almost the same corrosion inhibition with excellent efficiency. Density function theory (DFT) was used to investigate the relationship between the molecular structures and inhibitory efficacies of three quinazoline derivatives. The results of the analysis and measurement of Egap values revealed that the compound AYQ had a modest Egap of 4.999 eV and that strong values of Egap suggest that it will be easier to remove one electron from the HOMO orbital and deposit it in the LUMO orbital

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Publication Date
Thu Mar 30 2023
Journal Name
Iraqi Journal Of Science
Study the Effect of Peganum Harmala Seeds Extracts to Protect Iron Alloy from Corrosion in Salt Media
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This work describes the inhibition effect of different concentration of an aqueous extract of Peganum harmala seed on the corrosion of carbon steel in 3.5 % sodium chloride solution using potentiostatic polarization techniques at the temperature range of 25°C to 55°C. The result show that inhibition efficiency increased with increasing concentration of the inhibitor extracts and temperature. The adsorption of inhibitor on carbon steel surface was fit into Langmuir adsorption isotherm. Kinetic and thermodynamic parameters governing the corrosion and adsorption process were calculated and discussed.

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Publication Date
Wed Oct 23 2013
Journal Name
Journal Of Microbiology And Biotechnology Research
Optimization of flocculation conditions of exopolysaccharide biofloculant from Azotobacter chrococcum and its potential for river water treatment
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Bacteria strain H8, which produces high amount of exopolysaccharide (EPS), was isolated from soil, and identified as strain of Azotobacter chrococcum by its biochemical /physiological characteristics, EPS was extracted, partially purified and used as bioflocculant. The biochemical analysis of the partially purified EPS revealed that it was an alginate. analysis of EPS by Fourier transform infrared spectrometry (FTIR) show that the -OH groups present in bioflocculant are clearly seen at 3433.06 cm-1, the peaks attributed to the -CH3 groups present at 2916.17 cm-1 , and some distinct peaks such as carboxyl group showed strong absorption bands at 1604.66 cm-1, 1411.80 cm-1 and 1303.79 cm-1 indicate the chemical structure of alginate. The effe

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Publication Date
Thu Jul 01 2021
The spontaneous emission performance of a quantum emitter coupled to a hybrid plasmonic waveguide with specified output polarization for on-chip plasmonic single-photon source
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Publication Date
Wed Jan 02 2019
Journal Name
Journal Of Educational And Psychological Researches
Evaluation Tasks of Performance Quality of the University Students According to the Developmental Environment
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 Education is a process of learning and education at the same time. As the conditions of modern life necessitate every person to keep learning, education has become a necessity to meet life needs. The society today is concerned with the educational process and aims to live up the expectations. Since education is an integral part of education and its means, it has become as a mean to achieve its purposes. The educational environment was a traditional environment limited to specific inputs, possibilities and stimulus of both teacher and student. Due to the latest advancement, the educational environment has been expanded to become a rich, with strong connections. It has expanded to encompass the entire global environment. The current

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Publication Date
Sat Dec 30 2023
Journal Name
Iraqi Journal Of Science
Effect of Silver Nanoparticles Synthesized by Pulsed Laser Ablation in Liquid on the Hematological, Hepatic, and Renal Functions of Albino Rats
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     Silver nanoparticles (Ag-NPs) have unique properties as antibacterial effects against locally isolated clinical Escherichia coli.  In this study, the evaluated the antibacterial activity of AgNPs, which were synthesized by laser ablation, against locally isolated clinical  Escherichia coli on nutrient agar media in vitro. Then assessed the toxicity of the bactericidal dose in albino rats in vivo with hematological, liver, and kidney functions as vital parameters. AgNPs were synthesized by pulsed laser ablation in liquid (PLAL).  AgNPs’ shape and nano size were characterized by atomic force microscopy (AFM), UV-vis spectroscopy, and scanning electron microscopy (

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Publication Date
Tue Apr 24 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Evaluations of Probability of Photons Yield Depending on Quantum Chromodynamics Theory
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      Aim of this research is the description with evaluation the photons rate probability at quark-gluon reactions processes theoretically depending on quantum color theory. In high energy physics as well as quantum field theory and quantum chromodynamics theory,they are very important for physical processes. In quark–gluon interaction there are many processes, the Compton scattering, annihilation pairs and quark–gluon plasma. There are many quantum features, each of three  and systems that taken which could make a quark–gluon plasma in character system. First, electric quark charge and color quantum charge that’s satisfied by quantum number. Second, the critical temperature and

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Publication Date
Fri Jan 01 2021
Journal Name
Tigris And Euphrates Rivers: Their Environment From Headwaters To Mouth
Macroplastic and Microplastic in the Freshwater Environment of Southern Iraq: Evidences Obtained from Freshwater Fish Species
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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Develop Bactra system to determine Mutagens in the Environment, Food / IV modified Mutagens use of hydroxylamine
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Use Almtafr axis to study the response component that isolates gave a positive response to the use of standard Almtafr which leads to lower the temperature and the number of cells at a temperature suitable Rifampicin resistant less than that TJ and similarly reflected on the frequency of mutations induced

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Publication Date
Sat Jan 01 2022
Journal Name
Communications In Mathematical Biology And Neuroscience
The impact of fear and harvesting on plankton-fish system dynamics incorporating harmful phytoplankton in the contaminated environment
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Publication Date
Sat Dec 01 2018
Journal Name
International Journal Of Entrepreneurship
The moderating effect of business environment on the relationship between entrepreneurial skills and small business performance in Iraq
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The purpose of this study is to examine the moderating role of business environment on the relationship between Entrepreneurial Skills (ES) and business performance of Small Business (SB) in Iraq, Baghdad. This study aims to resolve the inconsistencies found in the contemporary literature regarding the relationship between ES and business performance. Questionnaire using a 5-point Likert scale was adopted from previous work to ascertain the responses of the respondents. Survey research design was adopted, and self-administered questionnaires were used to collect the data from small business owners in 9 districts in Baghdad the capital of Iraq. The analysis was conducted using SPSS version 23.0. The direct relationship and hierarchical regre

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