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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
Wed Feb 22 2023
Journal Name
Iraqi Journal Of Science
Determination of Destruction Levels Caused by Earthquakes Using Grip RADIUS 99 Program
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The most universal and basic damages caused by an earthquakes are buildings damage and human casualties. A simplified method, the RADIUS 99 Tool is used to calculate seismic intensity (shaking) distribution, buildings damage, number of casualties and lifelines damage, due to assumed earthquake scenario. In this study, Al - Kadhmiya sector in Baghdad city was chosen for assessing seismic risk, for this purpose, this area was divided into mesh of 1*1 km2 cell size, and a scenario of (Manjil) earthquake (that struck Iran in 1990) was utilized with following earthquake magnitudes (5 and 7), with epicenter distance (3, 10 and 100 km), and depths (2 and 5 km). It was found that, the best soil types for constructions are those with medium and h

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Publication Date
Wed Aug 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Deter1nination of Adenosin De Aminase (ADA) enzyme activity in patients with Salmonellosis
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!'hi_,  i1rycsligation  was  carried   ou1 dn J)Ct'iphcral  blom.l s_amplc:s.

wl1ich wendrawi·1  ih)rl1 patients  w.ith  l)1).hoid !'ever. Fifteen  palic111 nging ]5- 45 years old .<iS vvdl as ten sample::.  w:cr: c·ollec ted from healthy   persons-al     the  same   range  of   age.   Sera   were   used   t'or csti niation   the  act i vity  and   sp ci fie  activity  of  t\LJ.A.  The   resuJts sho:«"'d            sig11ltl'c u1t  increase i11&

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Publication Date
Wed Feb 05 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Assessment of some salivary biochemical parameters in cigarette smokers with chronic periodontitis
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Background: Cigarette smoking is an important risk factor that has a clear strong association with the prevalence and severity of chronic periodontitis (CP). Salivary biochemical parameters may be affected by both smoking and CP together. Materials and methods: Eighty systematically healthy male patients were included in this study. They were grouped based on their periodontal and smoking status. Unstimulated whole saliva (UWS) was collected from all subject. Salivary flow rate (FR) was measured during sample collection. Parameters such as salivary pH, total protein (TP), albumin (Alb), total fucose (TF), protein bound fucose (PBF) and C-reactive protein (CRP) were estimated. Results: Salivary flow rate was not altered regarding to smoking

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Publication Date
Sun Apr 30 2023
Journal Name
Iraqi Journal Of Science
Role of Extracted Nano-metal Oxides From Factory Wastes In Medical Applications
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       Nanometal oxides were extracted from cement factories wastes and were employed to proliferate skin cancer cells using MTT (Methyl Thiazolyl Tetraolium) assay. MTT assay results for skin cancer cell line A375,for CaO NPs the best concentration was 200 μg/mL,The viability was reduced to 57.28% while the IC50 was (69.66) g/mL for A375 and normal cell WRL68 was significantly higher (231.2 g/mL). The cytotoxicity results of CaO: MgO: Fe2O3 NPs, at higher concentrations (200 and 400) μg/mL showed a significant difference. The IC50 was (106.4) μg/mL for A375and normal cell WRL68 was significantly higher (173.3) μg/ml CaO:MgO:Fe2O3 NPs. The nanometal oxides, calci

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Publication Date
Mon Jan 01 2018
Journal Name
Aip Conference Proceedings
Theoretical study of electronic transfer current rate at dye-sensitized solar cells
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Publication Date
Tue Dec 01 2020
Journal Name
Sn Applied Sciences
Regressor-free adaptive vibration control of constrained smart beams with axial stretching
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Publication Date
Fri Sep 30 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Using Different Surfactants to Increase Oil Recovery of Rumaila Field (Experimental Work)
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Enhanced oil recovery is used in many mature oil reservoirs to increase the oil recovery factor. Surfactant flooding has recently gained interest again. To create micro emulsions at the interface between crude oil and water, surfactant flooding is the injection of surfactants (and co-surfactants) into the reservoir, thus achieving very low interfacial tension, which consequently assists mobilize the trapped oil.

In this study a flooding system, which has been  manufactured and described at high pressure. The flooding processes included oil, water and surfactants. 15 core holders has been prepared at first stage of the experiment and  filled with washed sand grains 80-500 mm and then packing the sand to obtain sand packs

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Publication Date
Sun Jul 02 2023
Journal Name
Iraqi Journal Of Science
Seismic Structural –Stratigraphic Study of Dhufria Area (Mid -Iraq) Using (3D) Techniques
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This study deals with the seismic reflection interpretation of lower Cretaceous Formations in Dhufria area, including structural and stratigraphic techniques. In the interpretation process, the 3-D seismic data volume and well logs have been used. Based on well logs and synthetic traces two horizons were identified and picked which are the top and bottom of Zubair Formation. These horizons were followed over all the area in order to obtain structural setting as well as studying Kirkuk group Formation of Tertiary age which represents highstand progradational seismic facies.

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Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Journal Of Science
Assessment of miR-146a Gene Polymorphisms in Patients with Systemic Lupus Erythematosus
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      Systemic lupus erythematosus (SLE) is a multifactorial chronic autoimmune disease, with a wide spectrum of effect. The main feature of the disease is the production of a wide variety of autoantibodies as a result of immune tolerance loss. The work aims to evaluate the miRNA-146a gene polymorphism potential association with disease activity and chronicity changes in SLE patients. The study included 100 SLE patients and 50 matched controls. The systemic lupus erythematosus disease activity index (SLEDAI) was assessed. The single nucleotide polymorphism (SNP) of miR-146a gene (rs2910164) polymorphism was assayed by polymerase chain reaction (PCR) and sequencing technique in patients and control. 100 SLE pati

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Publication Date
Thu Sep 01 2011
Journal Name
Journal Of Baghdad College Of Dentistry
Push out bond strength of different obturation systems (An in vitro study)
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Background: The bond strength of the root canal sealers to dentin seems to be a very important property for maintaining the integrity and the seal of root canal filling. The aim of this study was to evaluate the shear bond strength of four different obturation systems using push-out test. Materials and methods: Forty straight palatal roots of the maxillary first molars teeth were used in this study, these roots were instrumented using crown down technique and ProTaper system, instrumentation were done with copious irrigation of 2.5% sodium hypochlorite and 17% buffered solution of EDTA was used as final irrigant followed by distilled water, roots were randomly divided into four groups according to the obturation system (ten teeth for each g

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