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In-silico design, molecular docking, molecular dynamic simulations, Molecular mechanics with generalised Born and surface area solvation study, and pharmacokinetic prediction of novel diclofenac as anti-inflammatory compounds
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The prostaglandins inside inflamed tissues are produced by cyclooxygenase-2 (COX-2), making it an important target for improving anti-inflammatory medications over a long period. Adverse effects have been related to the traditional usage of non-steroidal anti-inflammatory drugs (NSAIDs) for the treatment of inflammation, mainly centered around gastrointestinal (GI) complications. The current research involves the creation of a virtual library of innovative molecules showing similar drug properties via a structure-based drug design. A library that includes five novel derivatives of Diclofenac was designed. Subsequently, molecular docking through the Glide module and determining the binding free energy implementing the Prime-MMGBSA module by the Schrödinger software package was used to identify compounds that showed marked specificity towards the COX-2 isoform. In addition, the ligands are subject to evaluation of their drug-like properties and ADMET (absorption, distribution, metabolism, excretion, and toxicity) characteristics using the QikProp module. Finally, molecular dynamics simulation has been calculated for the best molecule. The docking results indicated that all compounds own a predictive capability for specific binding to the COX-2 enzyme compared to the standard drug with a docking score range from -10.07 to -10.66 Kcal/mole, thus potentially overcoming the limitations imposed previously by the drugs currently used in clinical use. The ADMET analysis of the virtually active compounds demonstrated an acceptable drug-like profile and desirable pharmacokinetics properties. MM/GBSA calculation revealed that all the suggested compounds exhibited favorable free binding energies (-49.150 to - 60.185 Kcal/mole), indicating their strong potential to fit well into the COX-2 receptor. Finally, the MD simulation study revealed that compound 1 had perfect alignment with COX-2 receptor. The findings indicated that the compounds possess a predictive capability for specific binding to the COX-2 enzyme, thus potentially surmounting the restrictions imposed by the drugs currently employed in clinical use.

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Publication Date
Wed Jul 01 2020
Journal Name
Ieee Transactions On Industrial Electronics
Finite-Time Continuous Terminal Sliding Mode Control of Servo Motor Systems
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In this article, a continuous terminal sliding mode control algorithm is proposed for servo motor systems. A novel full-order terminal sliding mode surface is proposed based on the bilimit homogeneous property, such that the sliding motion is finite-time stable independent of the system’s initial condition. A new continuous terminal sliding mode control algorithm is proposed to guarantee that the system states reach the sliding surface in finitetime. Not only the robustness is guaranteed by the proposed controller but also the continuity makes the control algorithm more suitable for the servo mechanical systems. Finally, a numerical example is presented to depict the advantages of the proposed control algorithm. An application in the rota

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Publication Date
Thu Dec 04 2025
Journal Name
Journal Of Nature And Science Of Medicine
Impact of Patients’ Education upon Reducing Psychological Distress during Diabetic Journey
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Abstract<sec> <title>Background and Objectives:

Diabetes distress (DD), an emotional burden that does not meet the diagnostic criteria for major depressive disorder, has gained attention in the diabetes literature. It was to evaluate the impact of diabetes education among psychological distress in type 2 diabetes patients.

Materials and Methods:

A cross-sectional study was conducted between November 1, 2024, and March 1, 2025, at the Endocrine and diabetes center in Baghdad City, Iraq, tar

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Publication Date
Wed Jan 01 2025
Journal Name
Frontiers In Heat And Mass Transfer
A Parametrical Comprehensive Review of Solar Assisted Humidification-Dehumidification Desalination Units
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The deficiency of potable water resources and energy supply is emerging as a significant and concerning obstacle to sustainable development. Solar and waste heat-powered humidification dehumidification (HDH) desalination systems become essential due to the severe impacts of global warming and water shortages. This problem highlights the need to apply boosted water desalination solutions. Desalination is a capital-intensive process that demands considerable energy, predominantly sourced from fossil fuels worldwide, posing a significant carbon footprint risk. HDH is a very efficient desalination method suitable for remote areas with moderate freshwater requirements for domestic and agricultural usage. Several operational and maintenance conce

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Publication Date
Mon Nov 25 2024
Journal Name
Iraqi Journal For Computer Science And Matgematics
Posinormality of Operators Treated by Weyl's Theorem on Unbounded Hilbert Space
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Hamiltonians, momentum operators, and other quantum-mechanical perceptible take the form of self-adjoint operators when understood in quantized physical schemes. Unbounded and self-adjoint recognition are required in the situation of positive measurements. The selection of the proper Hilbert space(s) and the selection of the self-adjoint extension must be made in order for this to operate. In this effort, we define a new extension positive measure depending on the measurable field of nonzero positive self-adjoint operator in unbounded Hilbert space of analytic functions of complex variables. Consequently, we define an extension norm in the same space. We show several new properties of the suggested operator and its adjoin operator. These pr

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Publication Date
Sat Feb 28 2026
Journal Name
Journal Of Physical Education
The Effect of Exercises Using Maximum Strength Assisting Training Apparatus On Some Working Muscles&#39; Electric Activity During Bench Press For Physical Strength Athletes Of Baghdad Clubs
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Publication Date
Mon Dec 30 2019
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Enhanced conversion of Glycerol to Glycerol carbonate on modified Bio-Char from reed plant: Enhanced conversion of Glycerol to Glycerol carbonate on modified Bio-Char from reed plant
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The surplus glycerol produced from biodiesel production process as a by-product with high quantity can be considered as a good source to prepare glycerol carbonate (GC) whereas with each 1000 kg from biodiesel obtains 100 kg from glycerol. Glycerol converted to glycerol carbonate over bio-char as a catalyst prepared by slow pyrolysis process under various temperatures from 400 ᴼC to 800 ᴼC. The char prepared at 700 ᴼC considered as a best one between the others which was manufactured to activate the transesterification reaction. GC have large scale of uses such as liquid membrane in gas separation, surfactants ,detergents , blowing agent , in plastics industry, in  Pharmaceutical industry and electrolytes in lithium batteries.

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Publication Date
Mon Dec 28 2020
Journal Name
Journal Of The College Of Education For Women
Preparing the Arabic Language Teacher for Non-Native Speakers, Following the Experience of the Arabic Language Institute at the International University of Africa: منى يوسف محمَّد وقيع الله
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The study aims to examine the reality of preparing the Arabic language teacher for non-native speakers by presenting the experience of the Arabic Language Institute at the International University of Africa. Thus, it addresses the following questions: How is it possible to invest the long scientific experiences in proposal and experiment preperations to qualify Arabic language teachers for non-native speakers? What is the reality of preparing an Arabic language teacher at the Institute? How did the Arabic Language Institute process teacher preparation? What are the problems facing the preparation of the Arabic language teachers and the most important training mechanisms used in that Institute?What problems faced the implementation of the

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Publication Date
Sun Sep 01 2024
Journal Name
Polish Journal Of Chemical Technology
Preparation of nano SnO<sub>2</sub>-Sb<sub>2</sub>O<sub>3</sub> composite electrode by cathodic deposition for the elimination of phenol by Sonoelectrochemical oxidation
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The preparation of composite metal oxide to attain high efficiency in removing phenol from wastewater has a great concern. In the present study, the focus would be on adopting antimony-tin oxide coating onto graphite substrates instead of titanium; besides the effect of SbCl3 concentration on the SnO2-Sb2O3 composite would be examined. The performance of this composite electrode as the working electrode in the removal of phenol by sonoelectrochemical oxidation will be studied. The antimony-tin dioxide composite electrode was prepared by cathodic deposition with SnCl2 . 2H2O solution in a mixture of HNO3 and NaNO3, with different concentrations of SbCl3. The SnO2-Sb2O3 deposit layer’s structure and morphology were examined and the 4 g/l Sb

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Publication Date
Fri Nov 02 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Validity of Testicular Biopsy Among Azoospermic Patients Prior to Intracytoplasmic Sperm Injection
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Objective: To evaluate the clinical significance of open diagnostic testicular biopsy as prognostic predictor of
successful sperm retrieval among azoospermic infertile patients.
Design: Prospective study.
Setting: Infertility clinic and assisted reproduction unit at the institute of embryo research and infertility
treatment, Baghdad University.
Patients: Sixty infertile azoospermic patients.
Intervention: Pieces of testicular tissue taking during open diagnostic multiple bilateral testicular biopsies was
prepared for histological examination and grouped according to well-defined histopathological patterns.
Measurement of testicular size and serum reproductive hormones (FSH, LH, Testosterone, and PRL) were done

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Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
The Electro-Excitation Form Factors for Low-Lying States of 7Li Nucleus
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The transverse electron scattering form factors have been studied for low –lying excited states of 7Li nucleus. These states are specified by J? T= (0.478MeV), (4.63MeV) and (6.68MeV). The transitions to these states are taking place by both isoscalar and isovector components. These form factors have been analyzed in the framework of the multi-nucleon configuration mixing of harmonic oscillator shell model with size parameter brms=1.74fm. The universal two-body of Cohen-Kurath is used to generate the 1p-shell wave functions. The core polarization effects are included in the calculations through effective g-factors and resolved many discrepancies with experiments. A higher configuration effect outside the 1p-shell model space, such

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