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Spherical Aromaticity of Tetrahedral Pnictogens Through <i>Off</i> ‐Nucleus Isotropic Magnetic Shielding

This work revealed the spherical aromaticity of some inorganic E4 cages and their protonated E4H+ ions (E=N, P, As, Sb, and Bi). For this purpose, we employed several evaluations like (0D-1D) nucleus independent chemical shift (NICS), multidimensional (2D-3D) off-nucleus isotropic shielding σiso(r), and natural bond orbital (NBO) analysis. The magnetic calculations involved gauge-including atomic orbitals (GIAO) with two density functionals B3LYP and WB97XD, and basis sets of Jorge-ATZP, 6-311+G(d,p), and Lanl2DZp. The Jorge-ATZP basis set showed the best consistency. Our findings disclosed non-classical aromatic characters in the above molecules, which decreased from N to Bi cages. Also, the results showed more aromaticity in E4 than E4H+. The NBO analysis attributed the aromaticity in the above molecules to the residual density of the overlapping σ-bonding orbitals. So, the aromaticity in these molecules is unlike the classical aromaticity that is associated with electron delocalization. Scanning 1D σiso(r) variation along E−E bonds indicated a lowering in the shielding trend from N to Bi cages. The 3D results showed a similar decrease in the relative volumetric diffusion of the magnetic activity, whereas the volumetric ratio of V1ppm/V2ppm is almost constant for all the E4 cages.

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Publication Date
Sun Dec 01 2019
Journal Name
Baghdad Science Journal
Synthesis of Functionalized Silica from Rice Husks Containing C-I End Group

In this paper, we have extracted Silica from rice husk ash (RHA) by sodium hydroxide to produce sodium silicate. 3-(chloropropyl)triethoxysilane (CPTES) functionalized with sodium silicate via a sol-gel method in one pot synthesis to prepare RHACCl. Chloro group in compound RHACCl replacement in iodo group to prepere RHACI. The FT-IR clearly showed absorption band of C-I at 580 cm-1. Functionalized silica RHACI has high surface area (410 m2/g) and average pore diameter (3.8 nm) within mesoporous range. X-ray diffraction pattern showed that functionalized silica RHACI has amorphous phase .Thermogravemitric analysis (TGA) showed two decomposition stages and SEM morphology of RHACI showed that the particles have irregu

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Publication Date
Mon Feb 01 2016
Journal Name
Journal Of Civil Engineering Research
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Publication Date
Tue Jan 01 2019
Journal Name
Indian Journal Of Public Health Research &amp; Development
Isolation of Some Pathogenic Bacteria and Fungi From Student Mobile Phones (Part I)

Background: Mobile phones are approximately widely used everywhere like in hospital wards, clinics and universities as well as biomedical laboratories. They have become very important tool in students’ life. In contrast, these tools carry many harmful bacteria which are responsible for infectious diseases in human because they serve as a reservoir for different pathogens. Current study was aimed to isolate bacteria from students’ mobile phones at the Institute of Medical Technology/Al-Mansour/The Middle Technical University, Baghdad, Iraq. Also, the study investigated microbial resistance to many antimicrobial agents as well as the appropriate remedial measures. Method: Four hundred and fifty swabs from mobile phones were collected from

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Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Comparison I-V Characteristics of Sb/c-Si and Al/c-Si Junction

  Hetero junctions are fabricated by depositing antimony (Sb) and Al films on n-type single crystal(c-Si) wafers by the method of vacuum evaporation with thickness (0.25µm), with rate of deposition equals to 2.77 Ã…/sec, all samples are annealed in a vacuum for one hour at 473K. The tests have shown that all the films have polycrystalline structure for all Sb films. The barrier heights in (Sb/c-Si) junction was found to be equal 0.825eV, but(Al/c-Si) junction ohmic contact. Current-voltage measurements confirm this behaviour.

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Publication Date
Mon Aug 01 2011
Journal Name
Journal Of Engineering
INVESTIGATION OF TWISTED TAPE TURBULATOR FOR FIRE TUBE BOILER Part I. Heat Transfer

The present work presents a new experimental study of the enhancement of turbulent
convection heat transfer inside tubes for combined thermal and hydrodynamic entry length of one
popular “turbulator” (twisted tape with width slightly less than internal tube diameter) inserted for
fire tube boilers. Cylindrical combustion chamber was used to burn (1.6 to 7kg/h) fuel oil #2 to
deliver hot gases with ranges of Reynolds number (10500 to 21700), and (11400 to 24150) for both
empty and inserted tube respectively.A uniform wall temperature technique was used by keeping
approximately constant water temperature difference (25ºC) between inlet and exit cooling water in
parallel flow shell and tube heat exchanger. The test

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Publication Date
Wed Mar 30 2016
Journal Name
College Of Islamic Sciences
Problematic understanding of the question "What I overlooked something about you" when Sibweh

This research is an attempt to unveil the cover and unveil a matter that has become mysterious to those who came after Sibweh of the grammar scholars; It took place as a result of the work of the scribes.

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Publication Date
Wed Apr 01 2009
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Possible association of HLA class-I Molecules with autoimmune Hepatitis in Iraqi patients

Background: genetic factors were considered to play a possible role the development of autoimmune hepatitis.
Patients and methods: polymerase chain reaction-sequence specific primers (PCRSSP) was the method used to asses HLA-typing of 100 blood samples of 60 AIH patients and 40 healthy normal controls.
Results: comparison between AIH patients and healthy controls showed several antigens deviations in their frequencies. HLA-A*113 (A1/-/Null) observed to play a possible risk factor in this disease while significant loss of HLA-A*2 allele were clearly observed which prompt us to believe that it could act as a protective factor, on the other hand, increased frequency of HLA-B*8 & B*14 were statist

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Publication Date
Mon Oct 17 2022
Journal Name
Sustainability
Analysis and Residual Behavior of Encased Pultruded GFRP I-Beam under Fire Loading

In this paper, fire resistance and residual capacity tests were carried out on encased pultruded glass fiber-reinforced polymer (GFRP) I-beams with high-strength concrete beams. The specimens were loaded concurrently under 25% of the ultimate load and fire exposure (an increase in temperature of 700 °C) for 70 min. Subsequently, the fire-damaged specimens were allowed to cool and then were loaded statically until failure to explore the residual behaviors. The effects of using shear connectors and web stiffeners on the residual behavior were investigated. Finite Element (FE) analysis was developed to simulate the encased pultruded GFRP I-beams under the effect of fire loading. The thermal analyses were performed using the general-pu

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Publication Date
Fri Sep 01 2023
Journal Name
Journal Of Medicine And Life
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Publication Date
Fri Sep 23 2016
Journal Name
Spie Proceedings
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