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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
Sat Sep 26 2026
Journal Name
International Journal Of Low-carbon Technologies
Spatiotemporal patterns of bifacial and monofacial photovoltaic energy potential in an arid climate zone
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Abstract<p>Climate change significantly affects photovoltaic (PV) energy potential in arid regions. This study quantifies climate change impacts on both monofacial and bifacial PV energy potential across Iraq using Community Climate System Model (CCSM4) projections under Representative Concentration Pathway (RCP) 4.5 and RCP8.5 scenarios spanning 2020–2100. Specific mathematical frameworks accounting for thermal and irradiance characteristics were applied across 18 representative regions covering Iraq’s diverse climatic zones, with bifacial systems modeled using dual-surface irradiance capture incorporating ground reflection and thermal dynamics. Results reveal distinct northwest–southe</p> ... Show More
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Publication Date
Fri Jul 21 2023
Journal Name
Journal Of Engineering
The designed housing projects as an alternative for the informal building and their impact in addressing the heterogeneity of the urban escape in the built residential areas
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The phenomenon of informal building Spread recently in Iraqi residential areas, in general, and in Baghdad, in particular, due to the urgent housing need, on the one hand, and lack of commitment to building controls, on the other hand, to highlight the phenomenon of uncommitted building to controls and housing governing legislation in Iraq, leading to heterogeneity in both building densities and plot areas, and disorder in the urban fabric and urban escape of those areas. Research problem identified as the absence of a clear vision about the General aspects of the phenomenon of informal building in residential street scene, and the role of designed housing projects as a substitute for informal building in built residential areas. The des

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Publication Date
Mon Jan 01 2024
Journal Name
Tropical Journal Of Natural Product Research
Cytotoxic Potential of Neem (Azadirachta indica A. Juss) Oil
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An increasing interest is emerging in identifying natural products to overcome drug resistance in cancer patients. In this context, the present study was conducted to investigate the cytotoxic effects of neem plant (Azadirachta indica) oil in three different biological models (breast cancer cell lines, Allium cepa root tip, and mice vital organs). The cytotoxic potential of the neem oil was evaluated with two human cell lines (MCF7 and MDA-MB231) and an Allum cepa root tip bioassay. Histopathological analysis was conducted on the neem oil-treated and untreated control mice. The results revealed an anti-proliferative effect for neem oil on both estrogen receptor-positive (MCF7) and estrogen receptor-negative (MDA-MB231) breast cancer cell li

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Publication Date
Tue Dec 10 2019
Journal Name
Journal Of Engineering And Applied Sciences
Rutting Resistance Potential of High Modulus Asphalt Concrete Pavements
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The High Modulus Asphalt Concrete Mixture (HMACM) or (EME) (Enrobes a Module Eleve) developed in France, since, 1980 by Laboratories Central des Ponts et Chaussees (LCPC). Due to the increasing in traffic intensity and axle loading this type of mixing were suitable for pavement subjected to heavy duty. Experiments showed that EME mixtures have an excellent moisture damage resistance permanent deformation, fatigue cracking and reducing costs of maintenance and a significant reduction in thickness of pavement. Because of the high stiffness of EME mixes, the stresses transformed to the bottom laid layer by repeated traffic wheel loads were reduced effectively. This study intend to focus the light into the possibility of producing asphalt mixtu

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Publication Date
Sun Jun 01 2014
Journal Name
Soils And Foundations
Studying collapse potential of gypseous soil treated by grouting
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Publication Date
Sun Dec 31 2023
Journal Name
Tropical Journal Of Natural Product Research
Cytotoxic Potential of Neem (Azadirachta indica A. Juss) Oil
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Publication Date
Mon Dec 05 2022
Journal Name
Baghdad Science Journal
A Security and Privacy Aware Computing Approach on Data Sharing in Cloud Environment
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Today, the role of cloud computing in our day-to-day lives is very prominent. The cloud computing paradigm makes it possible to provide demand-based resources. Cloud computing has changed the way that organizations manage resources due to their robustness, low cost, and pervasive nature. Data security is usually realized using different methods such as encryption. However, the privacy of data is another important challenge that should be considered when transporting, storing, and analyzing data in the public cloud. In this paper, a new method is proposed to track malicious users who use their private key to decrypt data in a system, share it with others and cause system information leakage. Security policies are also considered to be int

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Publication Date
Mon Jun 30 2008
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
The Effect of Temperature and pH on the Removal / Recovery of ZN++ from Solution by Chemical Coagulation
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This work was conducted to study the treatment of industrial waste water, and more particularly those in the General Company of Electrical Industries.This waste water, has zinc ion with maximum concentration in solution of 90 ppm.
The reuse of such effluent can be made possible via appropriate treatments, such as chemical coagulation, Na2S is used as coagulant.
The parameters that influenced the waste water treatment are: temperature, pH, dose of coagulant and settling time.
It was found that the best condition for zinc removal, within the range of operation used ,were a temperature of 20C a pH value of 13 , a coagulant dose of 15 g Na2S /400ml solution and a settling time of 7 days. Under these conditions the zinc concentrat

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Publication Date
Tue Jun 30 2020
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Studying the Rheological Properties of Non-Newtonian Fluids under the Effect of temperature Using Different Chemical Additives
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   This research studies the rheological properties ( plastic viscosity, yield point and apparent viscosity) of Non-Newtonian fluids under the effect of temperature using different chemical additives, such as (xanthan gum (xc-polymer), carboxyl methyl cellulose ( High and low viscosity ) ,polyacrylamide, polyvinyl alcohol, starch, Quebracho and Chrome Lignosulfonate). The samples were prepared by mixing 22.5g of bentonite with 350 ml of water and adding the additives in four different concentrations (3, 6, 9, 13) g by using Hamilton Beach mixer. The rheological properties of prepared samples were measured by using Fan viscometer model 8-speeds. All the samples were subjected to Bingham plastic model. The temperature range studi

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Publication Date
Sun Jan 01 2023
Journal Name
Aip Conference Proceedings
Optimization of Fenton process for removal of chemical oxygen demand (COD) from hospital wastewater using response surface methodology (RSM)
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