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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
Mon Apr 01 2019
Journal Name
Dental Materials
An integrated multifunctional hybrid cement (pRMGIC) for dental applications
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Objective. Glass-ionomer and resin-modified glass-ionomer cements are versatile materials with the ability to form a direct bond with tooth tissues. The aim of this study was to formulate a novel class of dental bio-interactive restorative material (pRMGIC) based on resin-modified glass-ionomer cements via the inclusion of an organophosphorus monomer, ethylene glycol methacrylate phosphate, with a potential to improve the mechanical properties and also function as a reparative restorative material. Methods. pRMGIC was formulated with modification of the resin phase by forming mixes of ethylene glycol methacrylate phosphate (EGMP; 0–40%wt) and 2-hydroxyethyl methacrylate monomer into the liquid phase of a RMGIC (Fuji II LC, GC Corp.).

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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
Wed May 30 2018
Journal Name
International Journal Of Computer Networks &amp; Communications
Robot Human Interface for Housekeeper Robot with Wireless Capabilities
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Publication Date
Mon Jan 01 2018
Journal Name
Lamport
Cryptanalysis for Brute Force Attack and XOR Ciphering Methods
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Publication Date
Thu Sep 15 2022
Journal Name
Al-academy
Production mechanisms and their implications for Iraqi theater techniques
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Theatrical production mechanisms were determined according to the extents of the theatrical performance, the directing plan, and the ideas that the theatrical performance seeks to convey to the audience. Accordingly, theatrical production mechanisms differ between one theatrical performance and another according to the requirements of each of them and the surrounding circumstances that accompany the production of theatrical performance, and in order to search for production mechanisms and their repercussions on the show. Theatrical The current research was divided into four chapters, namely (Chapter One - Methodology), which identified the research problem in the following question: What are the production mechanisms and their implicatio

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Publication Date
Mon Mar 31 2025
Journal Name
Iraqi Statisticians Journal
Hypothesis Testing for Non-Normal Multiple Compact Regression Model
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Generalized multivariate transmuted Bessel distribution belongs to the family of probability distributions with a symmetric heavy tail. It is considered a mixed continuous probability distribution. It is the result of mixing the multivariate Gaussian mixture distribution with the generalized inverse normal distribution. On this basis, the paper will study a multiple compact regression model when the random error follows a generalized multivariate transmuted Bessel distribution. Assuming that the shape parameters are known, the parameters of the multiple compact regression model will be estimated using the maximum likelihood method and Bayesian approach depending on non-informative prior information. In addition, the Bayes factor was used

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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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Publication Date
Thu Jun 09 2022
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
G Protein-Coupled Receptors: Undervalued Targets for Cancer Therapy
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Despite the G protein-coupled receptors (GPCRs) being the largest family of signalling proteins at the surface of cells, their potential to be targeted in cancer therapy is still under-utilised. This review highlights the contribution of these receptors to the process of oncogenesis and points to some likely challenges that might be encountered in targeting them. GPCR-signalling pathways are often complex and can be tissue-specific. Cancer cells hijack these communication networks to their proliferative advantage. The role of selected GPCRs in the different hallmarks of cancer is examined to highlight the complexity of targeting these receptors for therapeutic benefit. Our

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Publication Date
Thu Sep 01 2022
Journal Name
Journal Of Engineering
Methods for Removing Dyes from Polluted Water; A Review
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Most of the water pollutants with dyes are leftovers from industries, including textiles, wool and others. There are many ways to remove dyes such as sorption, oxidation, coagulation, filtration, and biodegradation, Chlorination, ozonation, chemical precipitation, adsorption, electrochemical processes, membrane approaches, and biological treatment are among the most widely used technologies for removing colors from wastewater. Dyes are divided into two types: natural dyes and synthetic dyes.

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Publication Date
Thu Sep 01 2022
Journal Name
Iraqi Journal Of Computers, Communications, Control And Systems Engineering
A Framework for Predicting Airfare Prices Using Machine Learning
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Many academics have concentrated on applying machine learning to retrieve information from databases to enable researchers to perform better. A difficult issue in prediction models is the selection of practical strategies that yield satisfactory forecast accuracy. Traditional software testing techniques have been extended to testing machine learning systems; however, they are insufficient for the latter because of the diversity of problems that machine learning systems create. Hence, the proposed methodologies were used to predict flight prices. A variety of artificial intelligence algorithms are used to attain the required, such as Bayesian modeling techniques such as Stochastic Gradient Descent (SGD), Adaptive boosting (ADA), Decision Tre

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