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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 May 16 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A Sensitive Electrochemical Sensor for Rapid Determination of Mebeverine Hydrochloride and Metronidazole Benzoate Selective Molecular Imprinted Polymer in the PVC Membrane
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    By using precipitation polymerization, liquid electrodes of polymers imprinted with Mebeverine hydrochloride and metronidazole benzoate were created whereas the imprinted polymer (MIP) and non imprinted (NIP) polymers were prepared by using Mebeverine hydrochloride and Metronidazole benzoate qua a template. In the polymerization process, 2-Acrylamido-2-methyl-1-propane Sulphonic acid (AMPS) or 1-Vinylimidazole (VIZ) was used qua monomer, pentaerythritol triacrylate (PETRA) or Divinylbanzene (DVB) was used qua a cross-linker while benzoyl peroxide (BPO) was used as an initiator. The MIP membranes and the membranes of NIP were created by using Dibutyl Sebacate (DBS) and Tris(2-ethylhexyl)phosphate(TEHP) qua plasticizers

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Publication Date
Sun Aug 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Calculating the Resolving Power For Symmetrical Double Pole Piece Magnetic Lenses By Using A Preassigned Analytical Functions
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 In this theoretical paper  and depending on the optimization synthesis method for electron magnetic lenses a theoretical  computational investigation was carried out to calculate the Resolving Power for the symmetrical double pole piece magnetic lenses,  under the absence of magnetic saturation, operated by the mode of telescopic operation by using symmetrical magnetic field for some analytical functions well-known in electron optics such as Glaser’s Bell-shaped model,  Grivet-Lenz model, Gaussian field model  and Hyperbolic tangent field model.       This work can be extended further by using the same or other models for asymmetrical or symmetrical axial magnetic field

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Publication Date
Thu Dec 01 2022
Journal Name
Journal Of Medicine And Life
Renal stone density on native CT-scan as a predictor of treatment outcomes in shock wave lithotripsy
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Extracorporeal shock wave lithotripsy (ESWL) is considered a standard treatment for nephrolith or kidney stones measuring less than 20 mm. Anatomical, machine-related, and stone factors play pivotal roles in treatment outcomes, the latter being the leading role. This paper examined the relationship between stone density on native CT scans and ESWL treatment to remove renal stones concerning several treatments. One hundred and twenty patients (64 males and 56 females) were enrolled and completed the study from April 2019 to September 2020. Inclusion criteria were a single renal pelvis stone of 5–20 mm to be treated for the first time in adult patients with no urinary or musculoskeletal anatomical abnormalities. We assessed patients

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Publication Date
Tue Dec 30 2008
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Separation of Hexane-Benzene Mixtures by Emulsion Liquid Membrane.
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The effect of operating parameters on the batch scale separation of hydrocarbon mixture (benzene and hexane) using
emulsion liquid membrane technique is reported. Sparkleen detergent was used as surfactant and heavy mineral oil as
solvent to receive the permeates.
From the experimental results, the parameters that influenced the permeation are, composition of feed, contact time
with solvent, ratio of volume of solvent to volume of hydrocarbon feed, ratio of volume of surfactant solution to volume
of hydrocarbon feed, surfactant concentration, mixing intensity and glycerol as polar additive in the surfactant solution
to eliminate drop breakup.
The best conditions for the separation in this study were found to be: comp

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Publication Date
Mon May 27 2019
Journal Name
Al-academy
A Hypothesis of Architectural Environment Exercise for Actor Training (Continuous exercise space workshop – A model): هيثم عبد الرزاق علي
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The peculiarity of the theater does not lie in its dramatic content because many literary genres and other artistic styles share with it in this content. The peculiarity of the theater lies in contemplating the drama through what is architectural, and this architectural axis is what distinguishes its character. It is a spatial poetry which is composed by the laws of physics and chemistry, (Weight, height, distance, rhythm, gravity, impulses and chemical excretions). i.e., what cannot be expressed in words. This is a game of space to exchange and organize energy and communicate in space by the living body, which contains the possibilities of the living drawing in space: in the time and place. This research deals with the importance of the

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Publication Date
Thu Jun 01 2017
Journal Name
Journal Of Huazhong University Of Science And Technology [medical Sciences]
New mini dental implant attachments versus O-ring attachment after cyclic aging: Analysis of retention strength and gap space
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Publication Date
Wed May 17 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Projective Properties for Symmetrical Magnetic Lens by Using Exponential Model
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A computational investigation is carried out in the field of charged particle optics with the aid of the numerical analysis methods. The work is concerned with the design of symmetrical double pole piece magnetic lens.  The axial magnetic flux density distribution is determined by using exponential model, from which the paraxial-ray equation is solved to obtain the trajectory of particles that satisfy the suggested exponential model.  From the knowledge of the first and second derivatives of axial potential distribution, the optical properties such as the focal length and aberration coefficients (radial distortion coefficient and spiral distortion coefficient) are determined.  Finally, the pole piece profiles capable of pr

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Publication Date
Tue Jan 01 2019
Journal Name
Energy Procedia
Fabrication and characterization of n-InSb Heterojunction for optoelectronic device
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The operating characteristics of optoelectronic devices depend critically on the properties physical of the constituent materials, interesting compound has been focused on this research formed from group III and V of the periodic table. Thin film n-InSb heterjuntion were successfully fabricated on p-Si substrates by thermal evaporation technique at different annealing temperature (as prepared, 400,500,600) °C. The effect of annealing temperature on the structural, surface morphology, optical and optoelectronic properties of InSb films were investigated and studied. The crystal structure of the film was characterized by X-ray diffraction and techniques. AFM techniques inspect the surface morphology of InSb films, the study presented the val

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Publication Date
Tue Jan 01 2019
Journal Name
Energy Procedia
Fabrication and characterization of n- InSb Heterojunction for optoelectronic device
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Publication Date
Sun Nov 01 2009
Journal Name
Iraqi J Comm Med
Clinical Presentations and CT-Scan findings in children with Cerebral Palsy
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Background: Cerebral palsy is non-progressive disorder of posture or movement due to a lesion of the developing brain. It is the commonest physical disability in childhood. Objective: To study the clinical, neurological abnormalities, prevalence of convulsion (epilepsy) & to asses the value of CT scans of brain in patients with cerebral palsy.