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Synthesis, Identification, Antioxidant, Molecular Docking, and In Silico ADME Study for Some New Derivatives Containing Thiourea Moiety
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Objective: Synthesized a series of new thiourea (TU) derivatives, tested their antioxidant activity, and investigated their expected biological activity by theoretical study (computational methods). Methods: The derivatives were made using a one-pot reaction with two steps. Initially, succinyl chloride was mixed with KSCN to make succinyl isothiocyanate. Then, primary and secondary amines were used to make TU derivatives. The theoretical studies were done by Swiss ADME and molecular docking via Genetic Optimization of Linkage Docking (GOLD). Then evaluate antioxidant activity using the DPPH scavenging method. Results: FT-IR, 1H NMR, and 13C NMR spectroscopy show the verification of all the prepared derivatives. Compounds (II), (VIII), (III), and (V) are considered good antioxidant agents compared with L-ascorbic acid as a reference. The most active protein binding sites are on derivatives (IV), (VIII), (II), and (V), respectively. Theoretically, all derivatives have excellent docking scores and good ADME properties. Discussion: Because they have two TU moieties, synthesized derivatives have better docking scores than colchicine in the 1SA0 active site. They also have good ADME properties and antioxidant activity. Conclusions: All synthesized compounds are considered good antioxidant agents. Of all the synthesized compounds, (IV) has the best results compared to colchicine, can be thought of as an excellent antibacterial agent against Escherichia coli, and is an anti-breast cancer.

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Publication Date
Mon Sep 01 2025
Journal Name
Civil Engineering Journal
Pre- and Post-Cracking Resistance of Steel Fiber Reinforced Concrete Flexural Members with GFRP Bars
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This research investigates the pre- and post-cracking resistance of steel fiber-reinforced concrete specimens with Glass Fiber Reinforced Polymer (GFRP) bars subjected to flexural loading. The purpose is to modify the ductility and cracking resistance of GFRP-reinforced beams, which are prone to early cracking and excessive deflections instigated by the low modulus of elasticity of GFRP. Six self-compacting concrete specimens (1500×240×200 mm), incorporating steel fibers of two lengths (25 mm and 40 mm) with varying distribution depths, were tested to assess their structural performance. The results indicate significant enhancements in cracking resistance, stiffness, energy absorption, ductility, and flexural strength. Tested beam

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Publication Date
Sun Mar 15 2020
Journal Name
Journal Of Baghdad College Of Dentistry
The impact of dental environment stress on caries experience, salivary flow rate and uric acid
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Background: Several pathologies of the oral cavity have been associated with stress. Dental students need to gain assorted proficiencies as theoretical knowledge, clinical proficiencies, and interpersonal dexterity which is accompanied with high level of stress. Uric acid is the major antioxidant in saliva. The aim of this study is to assess the dental caries experience among dental students with different levels of dental environment stress in relation to physicochemical characteristics of whole unstimulated saliva.

Materials and Methods: the total sample is composed of 300 dental students (73 males, 227 female) aged 22-23 years old, from collage of dentistry / university of Baghdad, from the 4t

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Publication Date
Fri Mar 01 2024
Journal Name
Baghdad Science Journal
Effect of Biosynthesized Zinc oxide Nanoparticles on Phenotypic and Genotypic Biofilm Formation of Proteus mirabilis
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Proteus mirabilis is considered as a third common cause of catheter-associated urinary tract infection, with urease production, the potency of catheter blockage due to the formation of biofilm formation is significantly enhanced. Biofilms are major virulence factors expressed by pathogenic bacteria to resist antibiotics; in this concern the need for providing new alternatives for antibiotics is getting urgent need, This study aimed to explore whether green synthesized zinc oxide nanoparticles (ZnO NPs) can function as an anti-biofilm agent produced by P.mirabilis. Bacterial cells were capable of catalyzing the biosynthesis process by producing reductive enzymes. The nanoparticles were synthesized from cell free

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Publication Date
Wed Oct 01 2025
Journal Name
Civil Engineering Journal
Performance Evaluation of Composite CNT/PE-Modified Asphalt Concrete at Binder, Mixture, and Pavement Levels
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Advancing the multi-scale performance of asphalt pavements requires innovative binder modifications that address limitations in rutting resistance, fatigue resistance, and durability across the binder, mixture, and structural levels. This study evaluates the performance of asphalt cement, mixtures, and pavement systems modified with a combination of polyethylene (PE) and carbon nanotubes (CNTs). The binder was modified using 4% PE and varying CNT contents (0.5%, 1%, 1.5%, and 2% by weight of the modified binder). Binder performance was assessed through conventional and rheological tests, including penetration, softening point, viscosity, performance grade (PG) evaluation, and master curve analysis. Mixture-level performance was eval

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Publication Date
Sat Jan 01 2022
Journal Name
Materials Today: Proceedings
Experimental and theoretical investigations of seepage reduction through zoned earth dam material with special core
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Publication Date
Thu Feb 05 2026
Journal Name
Polymers
A Flexible, Antibacterial Platform: Silver-Tuned Polyvinyl Alcohol with Enhanced Opto-Mechanical and Electrical Properties
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Silver/polyvinyl alcohol (Ag/PVA) nanocomposite films were synthesized via solution casting with varying concentrations of Ag nanoparticles (1–5 wt%). A comprehensive investigation was conducted to understand the influence of Ag content on the structural, optical, mechanical, thermal, electrical, and antibacterial properties of the composites. UV-Vis spectroscopy revealed a red shift in absorption peaks and a reduction in the optical band gap, which decreased from 3.78 eV for pure PVA to 3.37 eV for the 5 wt% Ag composite. FTIR and SEM analyses confirmed successful nanoparticle incorporation and morphological changes. The nanocomposites exhibited enhanced tensile strength, elongation at break, Young’s modulus, and hardness due t

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Publication Date
Mon Jun 01 2026
Journal Name
Chemical Physics Impact
High-density perovskite oxide ceramics with enhanced proton stopping power and gamma-ray shielding efficiency
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Publication Date
Tue Jan 18 2022
Journal Name
Heat Transfer
Effect of receiver geometry on the optical and thermal performance of a parabolic trough collector
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Abstract<p>In this study, the optical and thermal performance of a Parabolic Trough Collector PTC system is investigated theoretically. A series of numerical simulations and theoretical analysis has been conducted to investigate the effect of the receiver geometry and location relative to the focal line on its optical performance. The examined receiver geometries are circular, square, triangular, elliptical and a new design of circular‐ square named as channel receiver. The thermal performance of PTC is studied for different flow rates from (0.27 to 0.6 lpm) theoretically. Results showed that the best optical design is the channel receiver with an optical efficiency of 84% while the worst is the elliptical </p> ... Show More
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Publication Date
Mon May 01 2023
Journal Name
Journal Of Engineering
Evaluation the behavior of Ring Footing on Gypseous Soil Subjected to Eccentric and Inclined Loads
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An extensive program of laboratory testing was conducted on ring footing rested on gypseous soil brought from the north of Iraq (Salah El-Deen governorate) with a gypsum content of 59%. There are limited researches available, and even fewer have been done experimentally to understand how to ring footings behave; almost all the previous works only concern the behavior of ring footing under vertical loads, Moreover, relatively few studies have examined the impact of eccentric load and inclined load on such footing. In this study, a series of tests, including dry and wet tests, were carried out using a steel container (600×600×600) mm, metal ring footing (100 mm outer diameter and 40 mm inner diameter) was placed in the m

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Publication Date
Thu Jan 01 2026
Journal Name
Innovations In Sustainable Sports Infrastructure For Eco-friendly Design And Operations
Redacting The Performance of 110m Hurdle Runners Through the Analysis of Physical and Functional Abilities
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The performance in the 110-meter hurdles at the sprint hurdles event is determined by several physical and physiological qualities. Nonetheless, relatively little attention has been paid to the predictability of such factors in determining race performance. This study seeks to fill this gap by establishing the most critical physical and physiological characteristics affecting elite hurdlers’ performance and creating a statistical model that predicts race times from the identified measurable characteristics. The study utilized a descriptive research design in-volving six elite male hurdlers, all of whom completed a battery of standardized physical and functional tests to assess their explosive lower-body strength, agility, reaction

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