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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 Mar 14 2023
Journal Name
Iraqi Journal Of Science
Antagonistic activity of Spirogyra micropunctata against some multidrug resistant human pathogenic bacteria
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The aim of present study is to investigate the antagonistic activity of Spirogyra micropunctata against multidrug resistant human pathogens. The test organisms include 3 Gram negative bacteria such as Echerichia coli, Klebsiella pneumoniae, Salmonella typhi and 2 Gram positive bacteria such as Staphylococcus aureus and Staphylococcus epidermidis. The algal cell mass was extracted in 90% Methanol and 90% Ethanol and further concentrations of 0.5, 1, 3, 5, 10, 20 mg/ml were made for each extract. Antagonistic effect was tested by using agar well-diffusion method. Methanolic crude extract showed strong antibacterial activity against all tested bacteria, while ethanolic crude extract showed moderate activity. These findings suggest the possi

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Publication Date
Fri Dec 14 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Assessment of Nurses' Exposure to Chronic Diseases in Thi-Qar Governorate Hospitals
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Objective: To assess nurses' exposure to hospitals chronic diseases hazards in Thi-Qar governorate, and to identify the association between nurses' socio-demographic characteristics of age, sex, marital status, place of work, the experience and educational attainment and their exposure to the hazards of chronic diseases. Methodology: A purposive "non-probability" sample of (433) nurses who were selected from four public hospitals in Thi-qar governorate for the period from November 4th 2013 to June 8th of 2014. Results: The study results indicated that that the vast majority of participants have mild chronic di

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Publication Date
Sat Aug 31 2019
Journal Name
Iraqi Journal Of Physics
Nuclear Structure Investigation of Some Ni-Isotopes Using Skyrme-Hartree-Fock Method
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     The nuclear ground-state structure of some Nickel (58-66Ni) isotopes has been investigated within the framework of the mean field approach using the self-consist Hartree-Fock calculations (HF) including the effective interactions of Skyrme. The Skyrme parameterizations SKM, SKM*, SI, SIII, SKO, SKE, SLY4, SKxs15, SKxs20 and SKxs25 have been utilized with HF method to study the nuclear ground state charge, mass, neutron and proton densities with the corresponding root mean square radii, charge form factors, binding energies and neutron skin thickness. The deduced results led to specifying one set or more of Skyrme parameterizations that used to achieve the best agreement with the available experimental

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Publication Date
Thu Jun 30 2022
Journal Name
Iraqi Journal Of Science
Radioactivity Levels in Water Samples of Tigris River in Baghdad City, Iraq
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   The natural radioactivity levels in water samples along the Tigris river (one of the major rivers of the world) within Baghdad city were investigated to determine and evaluate the radioactivity risks in the water of the river. The specific activity of the radionuclides (238U, 232Th, 40K, and 137Cs) for thirty different water samples from Tigris river within Baghdad city were measured using gamma-ray spectrometer, employing a NaI(Tl) scintillation detector. The results showed that the average value of the specific activity for 238U, 232Th, 40K, and 137Cs were (24.20, 16.70, 329.22, and 19.40) Bq/l, respectively. The calculated average annual effec

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Formulation of Metoprolol Bilayer Tablets as an Oral Modified Release Dosage Form
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Metoprolol is a β1 adrenergic blocker used in treatment of heart diseases. Metoprolol (100mg) tablets was formulated as a modified release oral system utilizing the concept of bilayer system, first layer contained (30mg) as immediate release and the other (70mg) in the sustained release matrix.  The immediate release layer consisted of lactose or microcrystalline cellulose as diluents with sodium starch glycolate or sodium croscarmellose as disintegrants. The result showed that the layer contains microcrystalline cellulose and 2% sodium starch glycolate gave disintegration time similar to that of conventional metoprolol tartrate tablet. This result was subjected in the subsequent preparation of the bilayer tablet. The

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Publication Date
Wed Jan 01 2020
Journal Name
Aip Conference Proceedings
Corrosion behavior of mild-steel in cooling towers using high salinity solution
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Cooling towers is one of the most important unit in industry, they are used to dispose heat from cooling media used in the integrated units. The choice of the cooling media plays recently an important rule due to fresh-water scarcity. The use of saline as a cooling media become of growing interest, but the corrosion problem has to be taken in consideration. In this study the simultaneous effect of cooling tower operation parameters on the corrosion rate of mild-steel is considered. The role of NaCl content is found to be pronounced more than the working solution temperature and flowrate. The corrosion of mild-steel in these studied factors had shown an interesting result especially with the NaCl% content. Firstly, there was an increase in t

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Publication Date
Sat Jun 01 2013
Journal Name
Engineering And Technology Journal
Performance Improvement of Multi-UserMC-CDMA system Using Discrete Hartly Transform Mapper
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Future wireless communication systems must be able to accommodate a large number of users and simultaneously to provide the high data rates at the required quality of service. In this paper a method is proposed to perform the N-Discrete Hartley Transform (N-DHT) mapper, which are equivalent to 4-Quadrature Amplitude Modulation (QAM), 16-QAM, 64-QAM, 256-QAM, … etc. in spectral efficiency. The N-DHT mapper is chosen in the Multi Carrier Code Division Multiple Access (MC-CDMA) structure to serve as a data mapper instead of the conventional data mapping techniques like QPSK and QAM schemes. The proposed system is simulated using MATLAB and compared with conventional MC-CDMA for Additive White Gaussian Noise, flat, and multi-path selective fa

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Publication Date
Wed Jan 01 2020
Journal Name
Journal Of Mechanical Engineering Research And Developments
Real-time control of robotic hand by human hand at low cost
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Scopus
Publication Date
Tue Jul 30 2024
Journal Name
Iraqi Journal Of Science
Diversity of Hard Ticks (Acari, Ixodidae) Infestion in Arabian Camel in Iraq
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      A total of 1346 hard ticks (863♂ and 483 ♀) infested 104 camels, 60 alive camels with 93.33%  infestation rate and 44 carcasses of camels had 79.54% infestation rate The total infestation rate was 87.5 %. The current study results revealed ten species of hard ticks family Ixodidae Koch, 1844 related to genus Hyalomma as following: H. dromedarii Koch, 1844, H. schulzii Morel, 1969, H. turanicum Pomerantsev, 1946, H.  excavatum Koch, 1844, H. truncatum Koch, 1844, H. scupense Schulzii, 1919, H. marginatum Koch, 1844, H. anatolicum Koch, 1844, H. rufipes Koch, 1844, H. impeltatum Schulze & Schlottke, 1930 from camel Camelus dromedarius Linnaeus, 1758 collected from 21 regions belonging to six provinces in middle, w

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Publication Date
Sun Nov 01 2015
Journal Name
Journal Of Engineering
Vibration analysis of angle-ply laminates composite plate under thermo-mechanical effect
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The paper presents mainly the dynamic response of an angle ply composite laminated plates subjected to thermo-mechanical loading. The response are analyzed by analytically using Newmark direct integration method with Navier solution, numerically by ANSYS. The experimental investigation is to fabricate the laminates and to find mechanical and thermal properties of glass-polyester such as longitudinal, transverse young modulus, shear modulus, longitudinal and transverse thermal expansion. Present of temperature could increase dynamic response of plate also depending on lamination angle, type of mechanical load and the value of temperature.

 

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