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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
Fri Aug 02 2024
Journal Name
Engineering, Technology & Applied Science Research
Effects of utilizing Crumb Rubber as Aggregate in Asphalt Mixtures
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Experts have given much attention on the use of waste in asphalt paving because of its significance from a sustainability perspective. This paper evaluated the performance properties of asphalt concrete mixes modified with Crumb Rubber (CR) as a partial replacement for two grade sizes of fine aggregate (2.36, and 0.3 mm) at six replacement rates: 0%, 2%, 4%, 6%, 8%, and 10% by weight. Asphalt concrete mixes were prepared at their Optimum Asphalt Content (OAC) and then tested for their engineering properties. Marshall properties, fatigue, rutting, ideal CT index test, Scanning Electron Microscopy (SEM), and Energy-Dispersive X-ray (EDX) spectroscopy were deployed to examine the crystalline structure and elemental composition of the C

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Publication Date
Thu Mar 01 2018
Journal Name
Arab World English Journal
Pedagogical Stylistics as a Tool in the Classroom: An Investigation of EFL Undergraduate Students' Ability in Analyzing Poetic Language
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Publication Date
Thu Mar 15 2018
Journal Name
Arab World English Journal
Pedagogical Stylistics as a Tool in the Classroom: An Investigation of EFL Undergraduate Students' Ability in Analyzing Poetic Language
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Publication Date
Mon Jan 01 2018
Journal Name
Journal Of Wildlife Diseases
MENINGEAL WORM (PARELAPHOSTRONGYLUS TENUIS) AS A CAUSE OF MORTALITY IN THE RESTORED ELK (CERVUS CANADENSIS) POPULATION IN MISSOURI, USA
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Publication Date
Fri May 01 2015
Journal Name
Journal Of Engineering
Use of non-Conventional Material to Remove Cu+2 ions from Aqueous Solutions using Chemical Coagulation
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Coagulation - flocculation are basic chemical engineering method in the treatment of metal-bearing industrial wastewater because it removes colloidal particles, some soluble compounds and very fine solid suspensions initially present in the wastewater by destabilization and formation of flocs. This research was conducted to study the feasibility of using natural coagulant such as okra and mallow and chemical coagulant such as alum for removing Cu and increase the removal efficiency and reduce the turbidity of treated water. Fourier transform Infrared (FTIR) was carried out for okra and mallow before and after coagulant to determine their type of functional groups. Carbonyl and hydroxyl functional groups on the surface of

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Publication Date
Thu Jun 26 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Evaluation of nano surface modification on CPTi dental implant using chemical method: mechanical and histological evaluation
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Background The application of nanotechnology to biomedical surfaces is explained by the ability of cells to interact with nanometric features. The aim of this study was to consider the role of nanoscale topographic modification of CPTi dental implant using chemical etching method for the purpose of improving osseointegration. Materials and methods: Commercial pure titanium rod was machined into 20 dental implants. Each implant was machined in diameter about 3mm, length of 8mm (5mm was threaded part and 3mm was flat part). Implants were prepared and divided into 2 groups according to the types of surface modification method used: 1st group (10 implant) remained without nano surface modification (control), 2nd group include (10 implant) etche

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Publication Date
Fri Nov 01 2019
Journal Name
Iop Conference Series: Earth And Environmental Science
Phisco-Chemical analysis and sensory evaluation of Iraqi cake incorporated with grape and date (Zahidi) syrup
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Abstract<p>In this research, The effect of substituting sucrose with different level of DS and DG (0, 25, 30,50,70 and 100%) on the physiochemical, microbial and sensory properties of cake were studied. Cake models were as well construed for microbial content and organic structure during, before then next 35 days storing at experimental temperature. Results showed no significant variances (p < 0.01) in the chemo physical structure of the date and grape test cake for protein values while there were significant differences for Asch, fiber and fat content values, Sensory assessment results showed high significant variance (p < 0.01) among the cake trials with the exemption of texture (6.04-6.</p> ... Show More
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Publication Date
Tue May 30 2017
Journal Name
Environmental Earth Sciences
Purification of aqueous solutions from Pb(II) by natural bentonite: an empirical study on chemical adsorption
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Publication Date
Tue May 30 2017
Journal Name
Environmental Earth Sciences
Purification of aqueous solutions from Pb(II) by natural bentonite: an empirical study on chemical adsorption
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Publication Date
Tue Nov 09 2021
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Financial technology as one of the recovery strategies of the Iraqi banking sector in the post-Covid-19 stage: An exploratory study
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The research aims to employ one of the most important strategies for recovery from the crisis of the Covid-19 pandemic, which ravaged the economies of the entire world and its various sectors, including the banking sector, through financial technology that is based on digital transformation to achieve financial sustainability and the creation of innovative financial value chains in light of the decline in the banking sector as a result of The negative effects of the Covid-19 pandemic, be guided by the relevant international accounting standards to control the risks associated with financial technology. To recover from the Covid-19 crisis, the research came out with a set of recommendations, most notably financial technology from

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