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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
Tue Sep 29 2020
Journal Name
Iraqi Journal Of Science
The Evaluation of Some Biomarkers According to Rheumatoid Factor in Early Diagnosis of Rheumatoid Arthritis from Iraqi Patients
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 Rheumatoid arthritis (RA) was a chronic inflammatory autoimmune disease for long-term that primarily affects small joints and leads to chronic inflammation in synovial. The aimed of the study to identify the relationships among some serological markers (antibodies to citrullinated protein/peptide antigens (ACPAs), anti-mutated citrullinated vimentin (anti-MCV), anti-carbamylated protein (Anti-Carp), anti- heterogeneous nuclear ribonucleoproteins (anti-hnRNP) and Glucose-6-phosphate isomerase (GPI)) and early diagnosis of RA. The study involved (60) Patients of newly diagnosis with RA that divided in to two subgroups (30 RF positive and 30 RF negative) groups and 30 subjects as healthy control group. The serological data from serum

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Publication Date
Fri Jun 16 2023
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Evaluation the Effect of Phytosterol Fraction of Chenopodium Murale in Comparison with Tacrolimus on Mice Induced Atopic Dermatitis
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Atopic dermatitis (atopic eczema), is a common familial chronic inflammatory skin disease, determined by xerosis, itching, scaly and erythematous skin lesions, and high serum levels of IgE. Between 10 to 20% of children and 1 to 3% of adults worldwide affected by it and has negative medical and social effect on patients and their families. To evaluate the effectiveness of Phytosterol Fraction of Chenopodium Murale on induced atopic dermatitis (AD) of mice; Forty mice were included in the study, divided in to four groups (10 mice/group): apparently healthy, induced AD without treatment, induced AD treated with Tacrolimus 0.1% ointment, and induced AD treated with Phytosterol Fraction of Chenopodium Murale cream 3% topica

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Publication Date
Sun Feb 27 2022
Journal Name
Iraqi Journal Of Science
Measurement and Analysis of the Distribution of Pb-214 Lead Isotope in Baghdad Soil using Remote Sensing Techniques
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     The present research aims to measure concentration of lead  Pb214 in soil using remote sensing and GIS, associated radiological hazards in Baghdad, Iraq. Concentration of specific radioactivity of radioactive elements was measured and analyzed naturally and artificially in 48 soil samples for separate sites from Baghdad, Iraq using crystalline spectroscopy to detect germanium. The average radioactivity concentrations of lead were found, as it was found to have varying values ​​from one site to another, as most of them exceeded the international permissible limit, as the highest concentration was recorded at 180 Bq in the sample H28 in Waziriyah district. Battery Lab (1), and the lowest concentration valu

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Publication Date
Wed Mar 15 2023
Journal Name
Al-academy
Geometrical Foundations of Shape in Structural Design of Contemporary Ceramic Pots "The artist "IBRAHIM SAEED" is a model"
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Each era has advantages in terms of innovation and development in form, technology, style, and design in ceramic vessels, both at the level of functional and aesthetic performance, so this study aimed to demonstrate the importance of geometrical foundations in the design structure of contemporary ceramic vessels, and also to reveal the constructive skills in The structure of the ceramic figure.
The researchers used the descriptive analytical approach to suit the nature of the study, and they described and analyzed the ceramic works in terms of geometric shape systems, elements and foundations of design in construction, formal diversity in the general design of ceramic vessels, and references and sources of artwork. In addition to th

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Publication Date
Mon Oct 01 2018
Journal Name
Iraqi Journal Of Physics
Simulations of the initiation and propagation of streamers in electrical discharges inside water at 3 mm length gap
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This work is devoted to the modeling of streamer discharge, propagation in liquid dielectrics (water) gap using the bubble theory. This of the electrical discharge (streamer) propagating within a dielectric liquid subjected to a divergent electric field, using finite element method (in two dimensions). Solution of Laplace's equation governs the voltage and electric field distributions within the configuration, the electrode configuration a point (pin) - plane configuration, the plasma channels were followed, step to step. The results show that, the electrical discharge (streamer) indicates the breakdown voltage required for a 3mm atmospheric pressure dielectric liquid gap as 13 kV. Also, the electric potential and field distributions sho

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Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Engineering
REVIEW THE ASSESSMENT OF EFFECTS OF LOST TIME INJURIES IN AN INDUSTRIAL SYSTEM BY USING AN EXPLANATORY PROGRAM
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Health and safety problem can be described by statistics it can only be understood by knowing and feeling the pain, suffering, and depression. Health and safety has a legal responsibility to protect it for everyone who can affect in the workplace. This includes manufacturers, suppliers, designers and controllers of work places and employees. Work injury is one of the major problems in manufacturing and production systems industries; it is reduced production efficiency and affects the cost. To gain flexibility from a traditional manufacturing system and production efficiency, this paper is about the application of estimating technology to preview and synthesis of Lost Time of Work Injuries in industry systems aims to provide a safe workin

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Publication Date
Thu Jan 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Radiological Risk Assessment and Radioactivity Concentration in sediment of Tigris River of the Medical City/Bab Al Muadham
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The concentrations of natural radionuclides in sediment samples from various locations along the stream of the Tigris riverbank in the Medical city in Bab Al- Muadham, Baghdad, had been examined using NaI(Tl) detector. The mean concentrations of specific activity for 238U, 232Th, 40K and 137Cs for sediments of the river was 13.5±4.6, 35.2±3.1, 272.2±21.4 and 1.5±0.35 Bq/kg  respectively. The findings revealed  that the concentration values of natural radionuclides and cesium were below permitted limits. The radiological hazard was compared with a global average (Radium equivalent, absorbed dose rate, radiation hazard index and annual effective dose equivalent) finding it was less

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Publication Date
Sun May 30 2021
Journal Name
Iraqi Journal Of Science
The Occurrences and Formation of Ladderback Ripples on Barchans Dunes of Najaf Dunes Field, Iraq, in Aeolian Environments
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This paper concerns the study of ripples that occur on the windward of Barchan dunes from the dunes field of Najaf governorate, Iraq. These dunes consist mainly of sand sediments with variable sizes, including medium, fine, and very fine sands. Quartz represents the major light mineral in the Najaf Dunes sand. The prevailing wind direction in the study area is NW-SE. The major ripple crest series of every pattern are oriented perpendicular to the NW-SE wind direction, whereas imbricated ripple groups within the troughs of the preexisting ripples are created by the WSW-ENE wind trend. These ripples tend to be formed by shortened ripples that occupy the troughs of the prolonged series. All crests of the ladderback ripples are oriented at r

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Publication Date
Wed Jan 19 2022
Journal Name
Iraqi Journal Of Science
Evaluation of Silver Nanoparticles (Ag NPs) Activity Against the Viability of Leishmania tropica Promastigotes and Amastigotes In Vitro
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Leishmaniasis is a disease caused by a protozoan parasite of the genus Leishmania. It is transmitted by the bite of sandfly (Subfamily Phlebotominae). Limited drugs are available for the treatment of leishmaniasis, and the general drug (pentostam) have many side effect on patients. Therefore, there is an urgent need for another drugs for the treatment of leishmaniasis.
This study aimed to develop new type of antileishmanial agents instead of classical drug (pentostam) and investigated the effectiveness of silver nanoparticles (Ag NPs) on Leishmania tropica parasites in both phases promastigote and amastigote in comparision to pentostam in in vitro condition.
This study showed the effects of Ag NPs in comparision to pentostam with d

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Publication Date
Sun Sep 06 2009
Journal Name
Baghdad Science Journal
Study of R -molar ratio effect on the transformation of tetraethylorthosilicat precursor to gels in sol-gel technique
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The effect of using different R -molar ratio under variable reaction conditions (acidic as well as basic environment and reaction temperature) have been studied. The overall experiments are driven with open and closed systems. The study shows that there is an optimum value for a minimum gelling time at R equal 2. The gelling time for all studied open system found to be shorter than in closed system. In acidic environment and when R value increased from 2 to 10, the gelling time of closed systems has increased four times than open systems at T=30 ?C and fourteen times when temperature reaction increased to 60 ?C. While in basic environment the influence of increasing R value was limited.

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