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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 Jul 01 2017
Journal Name
Journal Of King Saud University - Science
A semi-analytical iterative technique for solving chemistry problems
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Publication Date
Fri Feb 08 2019
Journal Name
Iraqi Journal Of Laser
Nano Fluid Detection for HPHE System Using Different Lasers
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Among the different passive techniques heat pipe heat exchanger (HPHE) seems to be the most effective one for energy saving in heating ventilation and air conditioning system (HVAC). The applications for nanofluids with high conductivity are favorable to increase the thermal performance in HPHE. Even though the nanofluid has the higher heat conduction coefficient that dispels more heat theoretically but the higher concentration will make clustering .Clustering is a problem that must be solved before nanofluids can be considered for long-term practical uses. Results showed that the maximum value of relative power is 0.13 mW at nanofluid compared with other concentrations due to the low density of nanofluid at this concentration. For highe

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Publication Date
Sun Oct 15 2023
Journal Name
Journal Of Yarmouk
Artificial Intelligence Techniques for Colon Cancer Detection: A Review
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Publication Date
Sun Nov 01 2020
Journal Name
Solid State Technology
Forecasting Crop Coefficient Values for Cucumber Plant (Cucumis sativus)
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In this study predication of crop coefficient (Kc) values through growing season for cucumber plant was conducted. A field experiment was carried out at AL Yusufiyah Township, in the Governorate of Baghdad, (latitude: 33°09' N, longitude: 44°24' E, and altitude: 34 m) in medium loam soil. The plant was cultivated inside the greenhouse under subsurface trickle irrigation system with soil water retention technology (SWRT) during the growing season 2017. Crop coefficient values were guessed from the direct method of measurements of daily crop evapotranspiration, while reference evapotranspiration was obtained from Agricultural Meteorology Project - Station of Baghdad - Abu-Ghraib.  The obtained results were showed that crop coeffici

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Publication Date
Sun Jan 01 2017
Journal Name
Proceedings Of The Conference “recent Trends In Engineering Sciences And Sustainability”, Baghdad
GNSS positioning techniques for enhancing Google Earth data quality
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Due to the easily access to the satellite images, Google Earth (GE) images have become more popular than other online virtual globes. However, the popularity of GE is not an indication of its accuracy. A considerable amount of literature has been published on evaluating the positional accuracy of GE data; however there are few studies which have investigated the subject of improving the GE accuracy. In this paper, a practical method for enhancing the horizontal positional accuracy of GE is suggested by establishing ten reference points, in University of Baghdad main campus, using different Global Navigation Satellite System (GNSS) observation techniques: Rapid Static, Post-Processing Kinematic, and Network. Then, the GE image for the study

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Publication Date
Mon Jul 01 2019
Journal Name
Materials Research Express
SiC composite based selective electromagnetic propagation for GHz application
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Publication Date
Mon May 11 2020
Journal Name
Baghdad Science Journal
A Cryptosystem for Database Security Based on TSFS Algorithm
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Implementation of TSFS (Transposition, Substitution, Folding, and Shifting) algorithm as an encryption algorithm in database security had limitations in character set and the number of keys used. The proposed cryptosystem is based on making some enhancements on the phases of TSFS encryption algorithm by computing the determinant of the keys matrices which affects the implementation of the algorithm phases. These changes showed high security to the database against different types of security attacks by achieving both goals of confusion and diffusion.

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Publication Date
Fri Aug 01 2025
Journal Name
Radio Science
Integrating Drones With Digital Twins for Aerial Remote Sensing
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Abstract<p>Drones are highly autonomous, remote‐controlled platforms capable of performing a variety of tasks in diverse environments. A digital twin (DT) is a virtual replica of a physical system. The integration of DT with drones gives the opportunity to manipulate the drone during a mission. In this paper, the architecture of DT is presented in order to explain how the physical environment can be represented. The techniques via which drones are collecting the necessary information for DT are compared as a next step to introduce the main methods that have been applied in DT progress by drones. The findings of this research indicated that the process of incorporating DTs into drones will result in the advanc</p> ... Show More
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Publication Date
Sat Mar 01 2025
Journal Name
Al-khwarizmi Engineering Journal
Deep-Learning-Based Mobile Application for Detecting COVID-19
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Patients infected with the COVID-19 virus develop severe pneumonia, which typically results in death. Radiological data show that the disease involves interstitial lung involvement, lung opacities, bilateral ground-glass opacities, and patchy opacities. This study aimed to improve COVID-19 diagnosis via radiological chest X-ray (CXR) image analysis, making a substantial contribution to the development of a mobile application that efficiently identifies COVID-19, saving medical professionals time and resources. It also allows for timely preventative interventions by using more than 18000 CXR lung images and the MobileNetV2 convolutional neural network (CNN) architecture. The MobileNetV2 deep-learning model performances were evaluated

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Runge-kutta Numerical Method for Solving Nonlinear Influenza Model
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Abstract<p>The main object of this study is to solve a system of nonlinear ordinary differential equations (ODE) of the first order governing the epidemic model using numerical methods. The application under study is a mathematical epidemic model which is the influenza model at Australia in 1919. Runge-kutta methods of order 4 and of order 45 for solving this initial value problem(IVP) problem have been used. Finally, the results obtained have been discussed tabularly and graphically.</p>
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