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DFT-Quantum Chemical and Experimental Studies of a New 2-(Substituted Thio) Furan as a Corrosion Inhibitor in Acidic Media
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The corrosion inhibiting properties of the new furan derivative 5-(furan-2-ylmethylsulfonyl-4-phenyl-2,4- dihydro [1,2,4] triazole-3-thione in acidic solution (1.0 M HCl) were explored utilizing electrochemical, surface morphology (AFM), and quantum chemical calculations approaches. The novel furan derivative 5-(furan-2-ylmethylsulfonyl-4-phenyl-2,4- dihydro [1,2,4] triazole-3-thione shows with an inhibitory efficiency value of 99.4 percent at 150 ppm, carbon steel corrosion in acidic medium is effectively inhibited, according to the results. The influence of temperature on corrosion prevention was studied using adsorption parameters and activation thermodynamics. The novel furan derivative creates a protective layer over the metallic surface that separates the metal from harsh acid solution and thereby protects it from destructive disintegration, according to the AFM study. The experimental findings are supported by the theoretical method of density functional theory (DFT) at the B3LYP/6-311 ++G basis set for inhibitor.

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Publication Date
Thu Feb 28 2019
Journal Name
Journal Of Engineering
Frequency Domain Analysis for Geometric Nonlinear Seismic Response of Tall Reinforced Concrete Buildings
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This paper aims to study the second-order geometric nonlinearity effects of P-Delta on the dynamic response of tall reinforced concrete buildings due to a wide range of earthquake ground motion forces, including minor earthquake up to moderate and strong earthquakes. The frequency domain dynamic analysis procedure was used for response assessment. Reinforced concrete building models with different heights up to 50 stories were analyzed. The finite element software ETABS (version 16.0.3) was used to analyze reinforced concrete building models.

The study reveals that the percentage increase in buildings' sway and drift due to P-Delta effects are nearly constant for specific building height irrespective of the seism

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Publication Date
Thu Sep 10 2020
Journal Name
Diyala Journal Of Engineering Sciences
Finite Element Analysis of Seepage for Hemrin Earth Dam Using Geo-Studio Software
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Finite Element Approach is employed in this research work to solve the governing differential equations related to seepage via its foundation's dam structure. The primary focus for this reason is the discretization of domain into finite elements through the placement of imaginary nodal points and the discretization of governing equations into an equation system; An equation for each nodal point or part, and unknown variables are solved. The SEEP / W software (program) is a sub-program of the Geo-Studio software, which is used by porous soil media to compensate for the problems of seepage. To achieve the research goals, a study was carried out on Hemrin dam, which located in the Diyala River 100 km northeast of Baghdad, Iraq. Thus, o

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Publication Date
Sun Mar 15 2026
Journal Name
Alustath Journal For Human And Social Sciences
Investing the English Academic Writing Lesson for Developing College of Languages Graduates Employability
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Employment and employability requirements are currently a substantial concern for many Iraqi and international institutions and universities due to their vital role in empowering and enhancing graduates' opportunities of obtaining a job that suits their specializations and mends the gap between job applicants and employers. Most Iraqi universities and institutions lack a supportive mechanism that provides employment skills, requirements, and training courses to empower an eligible applicant. This study invests academic writing lesson to qualify (110) students from the English department who participated in a one-month training course aimed at raising awareness of the importance of understanding and mastering employability requiremen

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Publication Date
Sat Nov 03 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Evaluation of Nursing Care Management for Diabetes Mellitus Patient with Total Hip Replacement
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Objective: The aim of the study to evaluate the nursing care management for diabetes mellitus patient
with total hip replacement after fractured hip.
Methodology: A field study carried out on patients with diabetes mellitus and have total hip
replacement after fractured hip in orthopedic ward at the hospital of surgical specialization (malefemale)during
January 2002 to January 2003.Physical and psychological nursing
assessment
immediately after the surgery was done for the both subjects (control and experimental) and then a
scientific management with daily nursing care were provided to the experimental subject with daily
nursing care to the patient condition by using a scientific and practical methods and leave th

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Publication Date
Wed Jun 29 2022
Journal Name
Chemphyschem
Spherical Aromaticity of Tetrahedral Pnictogens Through <i>Off</i> ‐Nucleus Isotropic Magnetic Shielding
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This work revealed the spherical aromaticity of some inorganic E4 cages and their protonated E4H+ ions (E=N, P, As, Sb, and Bi). For this purpose, we employed several evaluations like (0D-1D) nucleus independent chemical shift (NICS), multidimensional (2D-3D) off-nucleus isotropic shielding σiso(r), and natural bond orbital (NBO) analysis. The magnetic calculations involved gauge-including atomic orbitals (GIAO) with two density functionals B3LYP and WB97XD, and basis sets of Jorge-ATZP, 6-311+G(d,p), and Lanl2DZp. The Jorge-ATZP basis set showed the best consistency. Our findings disclosed non-classical aromatic characters in the above molecules, which decreased from N to Bi cages. Also, the results showed more aromaticity in E4 than E4H+

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Publication Date
Tue Sep 30 2025
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Oxidation desulfurization of model oil using carbon composite derived from peach stone waste
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     In this study, oxidative desulfurization of dibenzothiophene (DBT) with H2O2 as an oxidant was studied, whereas the catalyst used was zirconium oxide supported on Activated carbon (AC). Zirconium oxide (ZrO2) was impregnated over prepared activated carbon (AC) and characterized by various techniques such as XRD, FTIR, BET, SEM, and EDX. This composite was used as a heterogeneous catalyst for oxidation desulfurization of simulated oil. The results of this study showed that ZrO2/AC composite exhibited significant catalytic activity and stability, effectively lowering sulfur content under mild conditions. Factors such as reaction temperature (30, 40, 50, 60°C), time (5, 10, 15,20,30,60, 80 100 min), catalyst dose (0.3, 0.5,

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Publication Date
Fri Jul 19 2019
Journal Name
Communications Chemistry
Positive functional synergy of structurally integrated artificial protein dimers assembled by Click chemistry
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Abstract<p>Construction of artificial higher order protein complexes allows sampling of structural architectures and functional features not accessible by classical monomeric proteins. Here, we combine in silico modelling with expanded genetic code facilitated strain promoted azide-alkyne cycloaddition to construct artificial complexes that are structurally integrated protein dimers and demonstrate functional synergy. Using fluorescent proteins sfGFP and Venus as models, homodimers and heterodimers are constructed that switched ON once assembled and display enhanced spectral properties. Symmetrical crosslinks are found to be important for functional enhancement. The determined molecular structure of one artific</p> ... Show More
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Publication Date
Mon Dec 05 2022
Journal Name
Baghdad Science Journal
An Asymptotic Analysis of the Gradient Remediability Problem for Disturbed Distributed Linear Systems
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The goal of this work is demonstrating, through the gradient observation of a   of type linear ( -systems), the possibility for reducing the effect of any disturbances (pollution, radiation, infection, etc.) asymptotically, by a suitable choice of related actuators of these systems. Thus, a class of  ( -system) was developed based on finite time  ( -system). Furthermore, definitions and some properties of this concept -system and asymptotically gradient controllable system ( -controllable) were stated and studied. More precisely, asymptotically gradient efficient actuators ensuring the weak asymptotically gradient compensation system ( -system) of known or unknown disturbances are examined. Consequently, under convenient hypo

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Publication Date
Tue Dec 05 2023
Journal Name
Baghdad Science Journal
Recognizing Different Foot Deformities Using FSR Sensors by Static Classification of Neural Networks
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Sensing insole systems are a promising technology for various applications in healthcare and sports. They can provide valuable information about the foot pressure distribution and gait patterns of different individuals. However, designing and implementing such systems poses several challenges, such as sensor selection, calibration, data processing, and interpretation. This paper proposes a sensing insole system that uses force-sensitive resistors (FSRs) to measure the pressure exerted by the foot on different regions of the insole. This system classifies four types of foot deformities: normal, flat, over-pronation, and excessive supination. The classification stage uses the differential values of pressure points as input for a feedforwar

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Publication Date
Wed Sep 30 2026
Journal Name
Al-qadisiyah Journal For Engineering Sciences
The effects of interactive space variables on the healing process for children’s hospitals
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Interactive spaces are thought to be crucial for improving hospital stays. The current study aims to look into the effects of interactive space on the healing process, which could be applied in waiting rooms in children’s hospitals. The main question of this research is: What are the variables of the interactive space system that can enhance the healing process? This article made use of a deductive technique and quantity method. The responding sample is 80 parents and 49 children. That was accomplished by focusing on literature discussing interactive spaces and the healing process and a Case study on the Child Protection Hospital in Medical City, Baghdad, Iraq. Simulation through animations made for children and observations condu

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