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MOLECULAR MODELLING AND THEORETICAL DESIGN OF NOVEL NIRMATRELVIR DERIVATIVES AS SARS-COV-2 ENTRY INHIBITORS
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The pandemic SARS-CoV-2 is highly transmittable with its proliferation among nations. This study aims to design and exploring the efficacy of novel nirmatrelvir derivatives as SARS entry inhibitors by adapting a molecular modeling approach combined with theoretical design. The study focuses on the preparation of these derivatives and understanding their effectiveness, with a special focus on their binding affinity to the S protein, which is pivotal for the virus’s access to the host cell. Considering molecular docking aspects in the scope of a study on nirmatrelvir derivatives and S protein, dynamics simulations with 25 nanoseconds of their binding are explored. The study shows that these derivatives might work as effective antivirals against SARS-CoV-2 and that these findings should be followed by further preclinical and clinical trials to determine the safety, usefulness and feasibility of the compounds.

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Publication Date
Tue Feb 01 2022
Journal Name
Desalination And Water Treatment
A novel forward osmosis for treatment of high-salinity East Baghdad oilfield produced water as a part of a zero liquid discharge system
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This study investigated a novel application of forward osmosis (FO) for oilfield produced water treatment from the East Baghdad oilfield affiliated to the Midland Oil Company (Iraq). FO is a part of a zero liquid discharge system that consists of oil skimming, coagulation/flocculation, forward osmosis, and crystallization. Treatment of oilfield produced water requires systems that use a sustainable driving force to treat high-ionic-strength wastewater and have the ability to separate a wide range of contaminants. The laboratory-scale system was used to evaluate the performance of a cellulose triacetate hollow fiber CTA-HF membrane for the FO process. In this work, sodium chloride solution was used as a feed solution (FS) with a concentratio

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Publication Date
Sat Dec 02 2023
Journal Name
Journal Of Engineering
Discussion on the Structural Design Index and Design Method of Widening and Splicing Lane of Old Asphalt Pavement
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The splicing design of the existing road and the new road in the expansion project is an important part of the design work. Based on the analysis of the characteristics and the load effect of pavement structure on splicing, this paper points out that tensile crack or shear failure may occur at the splicing under the repeated action of the traffic load on the new/old pavement. According to the current structure design code of asphalt pavement in China, it is proposed that the horizontal tensile stress at the bottom of the splicing layer and the vertical shear stress at other layers of the splicing line should be controlled by adjusting the position and size of the excavated steps in addition to the conventional design ind

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Publication Date
Sat Jan 01 2022
Journal Name
Materials Research Express
Thermochromic and opacity behaviors in vanadium dioxide nanofilms: a theoretical study
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Abstract<p>Vanadium dioxide nanofilms are one of the most essential materials in electronic applications like smart windows. Therefore, studying and understanding the optical properties of such films is crucial to modify the parameters that control these properties. To this end, this work focuses on investigating the opacity as a function of the energy directed at the nanofilms with different thicknesses (1–100) nm. Effective mediator theories (EMTs), which are considered as the application of Bruggeman’s formalism and the Looyenga mixing rule, have been used to estimate the dielectric constant of VO<sub>2</sub> nanofilms. The results show different opacity behaviors at different w</p> ... Show More
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Publication Date
Sat Jan 01 2022
Journal Name
Materials Research Express
Thermochromic and opacity behaviors in vanadium dioxide nanofilms: a theoretical study
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Abstract<p>Vanadium dioxide nanofilms are one of the most essential materials in electronic applications like smart windows. Therefore, studying and understanding the optical properties of such films is crucial to modify the parameters that control these properties. To this end, this work focuses on investigating the opacity as a function of the energy directed at the nanofilms with different thicknesses (1–100) nm. Effective mediator theories (EMTs), which are considered as the application of Bruggeman’s formalism and the Looyenga mixing rule, have been used to estimate the dielectric constant of VO<sub>2</sub> nanofilms. The results show different opacity behaviors at different w</p> ... Show More
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Publication Date
Fri Jan 05 2018
Journal Name
Asian Quarterly: An International Journal Of Contemporary Issue
Refugees and the Challenges for Language Education (LE): A Theoretical Study
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DBN Rashid, Asian Quarterly: An International Journal of Contemporary Issue, 2018

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Publication Date
Sat Dec 31 2022
Journal Name
Al-kindy College Medical Journal
Assessment of Serum Level of Protein Carbonyl as a Marker of Protein Oxidation in Patients with Type 2 Diabetes Mellitus
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Background: Diabetes mellitus is a chronic disease with an increasing prevalence worldwide and characterized by an increase in oxidative stress and inflammation. The most important factor that is responsible for oxidative stress and production of reactive oxygen species (ROS) is hyperglycemia. The major targets of ROS are proteins. The most common and widely used biomarker of severe oxidative protein damage is protein carbonyl content.

The study was designed to assess the serum level of protein carbonyl as a marker of protein oxidation in patients with type 2 diabetes mellitus and to evaluate the effect of age, body weight, waist circumference, diabetic control and disease duration on the level

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Publication Date
Wed Dec 18 2024
Journal Name
International Journal Of Environmental Analytical Chemistry
Biocomposite adsorbent (cross-linked chitosan + algae + montmorillonite) for methyl violet 2B dye removal: statistical modelling and optimisation
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Herein, a biocomposite of crosslinked chitosan polyethylene glycol diglycidyl ether (CS-PEDGE), montmorillonite (MMT), and foodgrade algae (FGA) was successfully prepared by a hydrothermal technique. The resulting absorbent (CS-PEDGE/FGA/MMT) was assessed for its adsorption property with methyl violet 2B (MV 2B) a toxic cationic dye. The physicochemical properties of CS-EDGE/ FGA/MMT were assessed via various analytical techniques, including BET, Elemental analysis, pHpzc, and spectroscopy (FTIR, XRD, SEM-EDX). The influence of three adsorption variables, namely adsorbent dose (A: 0.02–0.1 g/100 mL), solution pH (B: 4–10), and contact time (C: 10–420 min) on the rate of MV 2B dye removal was examined using the Box-Behnken design (RSM-

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Publication Date
Sun Oct 01 2023
Journal Name
Medical Journal Of Babylon
Urokinase-type plasminogen activator receptor as a predictive marker for cardiac disease among type 2 diabetic patients
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Abstract<sec> <title>Background:

Type 2 diabetes mellitus is a progressive and chronic disease manifested by β-cell dysfunction and improved insulin resistance. Higher levels of urokinase-type plasminogen activator receptors have been found to predict morbidity and mortality among diabetic patients with cardiac disease.

Objective:

This study aims to explore the role of serum urokinase-type plasminogen activator receptor levels as a prognostic marker among type 2 diabetic Iraqi patients.

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Publication Date
Fri Dec 19 2014
Journal Name
Al-mustansiriyah
Synthesis, Spectroscopic and Antibacterial Studies of N (2-amino phenyl)-N-((pyridine-2-yl) methyl) Benzene-1, 2-Diamine Complexes
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Publication Date
Sun Mar 03 2013
Journal Name
Baghdad Science Journal
Molecular Diagnosis of Brucella species in Baghdad
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Brucellosis is possess a significant public health problem in Baghdad. In this study, we investigated the potential role of the PCR assay in detection of Brucella species, from patients suspect to have brucellosis, using blood samples in both human and animal. To establish a PCR technique for diagnosis of active brucellosis in our samples, DNA extraction was carried out using a commercial kit, and a laboratory extraction procedure. PCR amplification was done using 1 set of primers: B4/B5 for Brucella species. Extraction of Brucella DNA using the commercial kit was successful. The laboratory extraction was successful and more economic. A total of 178 peripheral blood

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