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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 Sep 30 2022
Journal Name
Iraqi Journal Of Computer, Communication, Control And System 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), Deci

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Publication Date
Fri Jun 11 2021
Journal Name
Journal Of Computing And Information Technology
A Survey on Emotion Recognition for Human Robot Interaction
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With the recent developments of technology and the advances in artificial intelligent and machine learning techniques, it becomes possible for the robot to acquire and show the emotions as a part of Human-Robot Interaction (HRI). An emotional robot can recognize the emotional states of humans so that it will be able to interact more naturally with its human counterpart in different environments. In this article, a survey on emotion recognition for HRI systems has been presented. The survey aims to achieve two objectives. Firstly, it aims to discuss the main challenges that face researchers when building emotional HRI systems. Secondly, it seeks to identify sensing channels that can be used to detect emotions and provides a literature review

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Publication Date
Tue Mar 30 2010
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
PC-Based Controller for Shell and Tube Heat Exchanger
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PC-based controller is an approach to control systems with Real-Time parameters by controlling selected manipulating variable to accomplish the objectives. Shell and tube heat exchanger have been identified as process models that are inherently nonlinear and hard to control due to unavailability of the exact models’ descriptions. PC and analogue input output card will be used as the controller that controls the heat exchanger hot stream to the desired temperature.
The control methodology by using four speed pump as manipulating variable to control the temperature of the hot stream to cool to the desired temperature.
In this work, the dynamics of cross flow shell and tube heat exchanger is modeled from step changes in cold water f

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Publication Date
Sun Oct 01 2017
Journal Name
International Journal Of Scientific & Engineering Research
Horizontal Fragmentation for Most Frequency Frequent Pattern Growth Algorithm
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Abstract: Data mining is become very important at the present time, especially with the increase in the area of information it's became huge, so it was necessary to use data mining to contain them and using them, one of the data mining techniques are association rules here using the Pattern Growth method kind enhancer for the apriori. The pattern growth method depends on fp-tree structure, this paper presents modify of fp-tree algorithm called HFMFFP-Growth by divided dataset and for each part take most frequent item in fp-tree so final nodes for conditional tree less than the original fp-tree. And less memory space and time.

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Publication Date
Sun Jun 01 2014
Journal Name
University Of Baghdad
New Analytical Methods for Drugs Analysis A Comparative Study
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Four different spectrophotometric methods are used in this study for the determination of Sulfamethoxazole and sulfanilamide drugs in pharmaceutical compounds, synthetic samples, and in their pure forms. The work comprises four chapters which are shown in the following: Chapter One: Includes a brief for Ultraviolet-Visible (UV-VIS) Absorption spectroscopy, antibacterial drugs and sulfonamides with some methods for their determination. The chapter lists two methods for optimization; univariate method and multivariate method. The later includes different types, two of these were mentioned; simplex method and design of experiment method. Chapter Two: Includes reaction of the two studied drugs with sodium nitrite and hydrochloric acid for diazo

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Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Engineering
OPTIMUM WATER ALLOCATION FOR ABO-ZIRIQ MARSH ECOLOGICAL RESTORATION
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Optimum allocation of water for restoration of Iraqi marshes is essential for different related authorities. Abo-Ziriq marsh area about 120 km2 is situated 40 km east of Al-Nassryia city. After comparing the measured annual water qualities with the Iraqi standards for surface water quality evaluation, Abo-Ziriq marsh water quality was in acceptable limit. Hydro balance computation were done for each month by using interface among the HEC-RAS, HEC-GeoRAS and ArcView GIS software and built a number of eco-hydro relationships to simulate the marsh ecosystem by using HEC-EFM program to estimate water allocation adequate for ecosystem requirement and constructs a GIS hydraulic reference map to show inundation area, depth grid and velocity dis

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Publication Date
Tue Mar 10 2020
Journal Name
Journal Of Inverse And Ill-posed Problems
Direct and inverse source problems for degenerate parabolic equations
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Abstract<p>Degenerate parabolic partial differential equations (PDEs) with vanishing or unbounded leading coefficient make the PDE non-uniformly parabolic, and new theories need to be developed in the context of practical applications of such rather unstudied mathematical models arising in porous media, population dynamics, financial mathematics, etc. With this new challenge in mind, this paper considers investigating newly formulated direct and inverse problems associated with non-uniform parabolic PDEs where the leading space- and time-dependent coefficient is allowed to vanish on a non-empty, but zero measure, kernel set. In the context of inverse analysis, we consider the linear but ill-pose</p> ... Show More
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Publication Date
Fri Nov 01 2013
Journal Name
Journal Of Cosmetics, Dermatological Sciences And Applications
Podophyllin (10%) Ointment: A New Therapeutic Modality for Psoriasis
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KE Sharquie, AA Noaimi, WK Al-Janabi, Journal of Cosmetics, Dermatological Sciences and Applications, 2013

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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
Sun Mar 06 2016
Journal Name
Baghdad Science Journal
Indirect Method for Optimal Control Problem Using Boubaker Polynomial
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In this paper, a computational method for solving optimal problem is presented, using indirect method (spectral methodtechnique) which is based on Boubaker polynomial. By this method the state and the adjoint variables are approximated by Boubaker polynomial with unknown coefficients, thus an optimal control problem is transformed to algebraic equations which can be solved easily, and then the numerical value of the performance index is obtained. Also the operational matrices of differentiation and integration have been deduced for the same polynomial to help solving the problems easier. A numerical example was given to show the applicability and efficiency of the method. Some characteristics of this polynomial which can be used for solvin

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