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Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [<i>n</i>]Paracyclophanes
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Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.

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Publication Date
Tue May 01 2018
Journal Name
Journal Of Engineering
Prediction of Municipal Solid Waste Generation Models Using Artificial Neural Network in Baghdad city, Iraq
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The importance of Baghdad city as the capital of Iraq and the center of the attention of delegations because of its long history is essential to preserve its environment. This is achieved through the integrated management of municipal solid waste since this is only possible by knowing the quantities produced by the population on a daily basis. This study focused to predicate the amount of municipal solid waste generated in Karkh and Rusafa separately, in addition to the quantity produced in Baghdad, using IBM SPSS 23 software. Results that showed the average generation rates of domestic solid waste in Rusafa side was higher than that of Al-Karkh side because Rusafa side has higher population density than Al-Karkh side. T

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Publication Date
Sat Dec 31 2011
Journal Name
Al-khwarizmi Engineering Journal
Simulation of Oxygen Mass Transfer in an Internal Loop Airlift Reactor with Axial Dispersion Model
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The effect of superficial gas velocity within the range 0.01-0.164 m/s on gas holdup (overall, riser and down comer), volumetric oxygen mass transfer coefficient, liquid circulation velocity was studied in an internal loop concentric tubes airlift reactor (working volume 45 liters). It was shown that as the usg increases the gas holdup and also the liquid circulation velocity increase. Also it was found that increasing superficial gas velocity lead to increase the interfacial area that increases the overall oxygen mass transfer coefficient. The hydrodynamic experimental results were modeled with the available equations in the literature. The predicted data gave an acceptable accuracy with the empirical data.

The final

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Publication Date
Tue Jun 01 2021
Journal Name
Electric Power Systems Research
Electromagnetic transient modeling of form-wound stator coils with stress grading system under PWM excitation
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The insulation system of a machine coil includes several layers made of materials with different characteristics. The effective insulation design of machine coils, especially in the machine end winding, depends upon an accurate model of the stress grading system. This paper proposes a modeling approach to predict the transient overvoltage, electric field, and heat generation in machine coils with a stress grading system, considering the variation of physical properties in the insulation layers. A non-uniform line model is used to divide the coil in different segments based on material properties and lengths: overhang, stress grading and slot. The cascaded connection of chain matrices is used to connect segments for the representation of the

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Publication Date
Thu Jan 16 2025
Journal Name
Journal Of Baghdad College Of Dentistry
In vivo plaque count of Streptococcus Mutans around orthodontic brackets bonded with two different adhesives
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Background: The prevention of the enamel demineralization at the periphery of the brackets is a significant challenge to orthodontic professionals. The aim of this clinical study was to compare the Streptococcus mutants count in the plaque surrounding two orthodontic adhesive types, Fuji Ortho LC and Enlight (Ormco). Materials and methods: A total of 13 patients (7 male and 6 female) needing fixed orthodontic appliance therapy were participated. A split mouth technique was followed with appliances bonded by two orthodontic adhesive types, Fuji Ortho LC and Enlight (Ormco). Saliva was collected before placement of appliances (T0) and again at three weeks (T1) and six weeks (T2) after placement of appliances. Plaque was collected from areas a

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Publication Date
Tue Sep 25 2018
Journal Name
Iraqi Journal Of Science
Using Multiattribute Analysis to Predicting Effective Porosity of Yamama Formation in Nasriya Oilfield Southern Iraq
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Emerge application was used in Hampsson-Russell programs and that uses a combination of multiple 3D or 2D seismic attributes to predict some reservoir parameter of interest. In this research used the seismic inversion technique was performed on post-stack three dimensions (3D) seismic data in Nasriya oilfield with five wells  and then used this results in  Emerge analysis (training and application) were used to estimate reservoir properties (effective porosity) with multiattribute analysis derive relations  between them at well locations. The horizon time slice of reservoir units of (Yb1, Yb3 and Yc) of Yamama Formation was made for property (effective porosity) to confirm match results and enhancement trends within these

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Publication Date
Fri Jan 26 2024
Journal Name
Iraqi Journal Of Science
Removal of Iron (Iii) Ion from Aqueous Solution using Polyacrylic Acid Hydorgel Beads as Adsorbent
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This research focuses on the removal and adsorption of Fe (III) ion using a low cost commercial polyacrylic acid hydrogel beads as adsorbent. The effects of time, initial concentration and pH on the metal ion adsorption capacity were investigated. The regeneration of the hydrogel bead and recovery of the metal ion adsorbed were study. The adsorption isotherm models were applied on experimental data and it is shown that the Langmuir model was the best one for Fe (III) ion removal. The maximum capacity was calculated. First-order and second- order kinetic models were used and it is shown that the experimental data was in reliable compliance with the first- order model with R2 value of (0.9935, 0.9011, 0.9695, 0.9912) for all concentrations

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Publication Date
Fri Aug 20 2021
Journal Name
Iraqi Journal Of Laser
Design of Tunable Optical Band Pass Filter based on in-Line PM-Mach Zehnder Interferometer
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In this paper, tunable optical band-pass filters based on Polarization Maintaining Fiber –Mach Zehnder Interferometer presented. Tunability of the band-pass filter implemented by applying different mechanical forces N on the micro-cavities splicing regions (MCSRs). The micro-cavity formed by using three variable-lengths of single-mode polarization-maintaining fiber with (8, 16, 24) cm lengths, splice between two segments of (SMF-28) with (26, 13) cm lengths, using the fusion splicing technique.  Ellipsoidal shape micro-cavities experimentally achieved parallel to the propagation axis having dimensions between (12-24) μm of width and   (4-12) μm of length. A micro-cavity with width and length as high as 24 μm and 12 μ

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Publication Date
Fri Jul 01 2022
Journal Name
Iraqi Journal Of Science
Genetic Polymorphisms of Interleukin -1 beta Gene in Association with Multiple Sclerosis in Iraqi Patients
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Interleukin-1 β (IL-1 β) is considered to be one of the most important mediators in the pathogenesis of inflammatory diseases, particularly in neurodegenerative diseases such as multiple sclerosis (MS). MS is a chronic inflammatory disease characterized with demyelination in central nervous system (CNS). There was believe that single nucleotide polymorphisms (SNPs) in IL-1β gene can alter the structure and function of the IL-1β and consequently may have play role in MS disease. In this this study the IL-1β gene polymorphism (rs16944, rs1143634) and their association with MS in Iraqi patients were investigated. Two SNPs including IL-1β-511 (rs16944) in promoter and IL-1B+3962 (rs1143634) in encoding region, were studied using Polyme

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Publication Date
Sat Dec 30 2023
Journal Name
Iraqi Journal Of Science
Screening of bread wheat cultivars (Triticum aestivum L.) to water deficit stress under field conditions
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Field trial was conducted during the growing season of 2011-2012 at the Research
Field, Department of Biology, College of Science, Baghdad University to test the
performance of wheat cv Rabyaa, Latifiya, Al-Iraq, Tummose 2, Abu-Graib 3, IPA
99 and Sham 6 grown under different soil water deficit stresses. Several agronomic
and physiological traits and yield and yield components of the test cultivars were
determined. The experiment was conducted in split plot design with five replications
for each treatment. The cultivars were kept in the sub plot while water stress
treatment was assigned as main plot. Water stress was applied by irrigated the plots
to the soil field capacity (FC) then withheld next irrigation until

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Publication Date
Sun Feb 03 2019
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Use Dividend Discount Model , DDM in Stocks Valuation With Framework of Inflation: An Applied Study
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The theme of this Study presents analysis and discuss to the "Share the framework for assessing inflation," a practical study in a sample of joint stock companies listed on the Iraq Stock Exchange for the years (2009-2013). To determine the extent of the disparity between the nominal value of shares (Nominal Value) before deducting inflation and the real value (Real Value) per share, after deducting inflation in the case of zero growth. The study relied on annual reports of the companies of the research sample of the Iraq Stock Exchange, as well as the Iraqi Securities Commission. Besides the annual reports issued by the Ministry of Planning, as well as annual reports and statistical bulletin issued by the Central Bank of Iraq. It is fra

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