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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
Thu Mar 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Some New Complexes With New Schiff Base Type (N2O2) Derived From Glyoxylic Acid and Ethylenediamine
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New tetradentate Schiff base [H2L] namely [2,2׳ -(ethane-1,2- diylbis (azan-1-ylylidene) diacetic acid)] was prepared from condensation of ethylenediamine with  glyoxylic acid  in ethanol as a solvent in presence of drops of 48% HBr .The structure of ligand (H2L) was characterized by,F-IR, U.V-Vis.,1H-,13C-NMR, pectrophotometer,melting point and elemental microanalysis C.H.N.  Metal complexes of the ligand (H2L) in general Molecular formula [M(L)(H2O)2], where M=  Co(II), Ni(II), Cu(II), Mn(II) and Hg(II); L=(C6H8N2O4) were synthesized were characterized by, Atomic absorption, F-IR, U.V-Vis. spectra, molar conductivity and magnetic susceptibility.It was found that all the complexes showed octahedral geometries.And

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Publication Date
Sat Jan 30 2021
Journal Name
Iraqi Journal Of Science
Molecular Detection of Enterotoxin Genes of Multiresistant Staphylococcus aureus Isolates from Different Sources of Food
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Foodborne diseases are a major risk for human health. Millions of people become sick as a result of eating contaminated food with microorganisms that cause diseases. S.  aureus is considered as one of the most important pathogenic bacteria, having the ability to  activate certain genes that encode for heat stable enterotoxins and cause Staphylococcal food poisoning. Thus, this study aimed to determine the prevalence of multi resistant Staphylococcus aureus that produce enterotoxins in different sources of food . Forty nine isolates were identified as S.aureus, according to morphological and biochemical tests. They were isolated from 387 different food samples from several randomly covered restaurants

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Publication Date
Sun Jan 19 2025
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of autologous bone marrow-derived stem cells with estimation of molecular events on tooth socket healing in diabetic rabbits (Histological and histomorphometric study)
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Background: Diabetes is a metabolic disorder characterized by chronic hyperglycemia due to an inability to produce insulin. Uncontrolled or poorly controlled diabetes is clinically associated with increased susceptibility to delay healing. Many recent researches have shown that stem cell therapy can be the best choice for treatment of this disease. The aims of this research were investigating regeneration of pancreatic beta cells of diabetic induced rabbits after stem cell transplantation. Materials and Methods: 64 rabbits weighting an average of (2.5 - 3 kg) were used in this experimental study, and divided into 4 groups as follows; group A ( contains 16 healthy rabbits regarded as control group ) , Group B ( contains 16 diabetic rabbits

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Publication Date
Tue Feb 05 2019
Journal Name
Journal Of The College Of Education For Women
Spatial contrast of the slums in the unity of the new municipal of Baghdad
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The slums one of the main problem plaguing the city of Baghdad in general and
the unity of municipality of New Baghdad, especially, where the characteristics of the study
area a prominent role in population growth and the emergence of slums where a private,
although the region suffer from the housing crisis is the lack of the number of housing units
compared to the number of families in which, With high land prices and the level of rent
which was accompanied by the absence of the law, which was followed by the year 2003, has
become the study area and one of the most municipalities of the city of Baghdad Contain
slums which took fills abandoned buildings and acquires vacant land agricultural ones and
allocated to d

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Publication Date
Mon Sep 01 2008
Journal Name
Al-khwarizmi Engineering Journal
Design and Simulation of GaussianFSK Transmitter in UHF Band Using Direct Modulation of ΣΔ Modulator Fractional-N Synthesizer
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This research involves design and simulation of GaussianFSK transmitter in UHF band using direct modulation of ΣΔ  fractional-N synthesizer with the following specifications:

Frequency range (869.9– 900.4) MHz, data rate 150kbps, channel spacing (500 kHz), Switching time 1 µs, & phase noise @10 kHz = -85dBc.

New circuit techniques have been sought to allow increased integration of radio transmitters and receivers, along with new radio architectures that take advantage of such techniques. Characteristics such as low power operation, small size, and low cost have become the dominant design criteria by which these systems are judged.

A direct modulation by ΣΔ  fractional-N synthesizer is proposed

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Publication Date
Wed Oct 31 2018
Journal Name
Iraqi Journal Of Science
Determination the Concentration Elements of Cultivation Media (Peat Moss, Perlite and Hormone) Using X-ray Fluorescence Technique
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The concentration of elements were analyzed of twelve cultivation medium (Peat moss, Perlite and Hermon) selected from Iraqi markets using X-ray fluorescence techniques. The analytical results show that the cultivation medium contained high concentration of (Na, Al, Si, S, K, Ca, Fe) and low concentration of (Mg, P, Cl, Ti, V, Cr, Mn, Co, Ni, Cu, Zn). The samples also contained trace concentration of (Ge, As, Se, Br, Sr, Y, Mo, Cd, I, Hg, Pb, U). The results were compared using atomic absorption spectrophotometric technique for measuring the concentration of (K, Ca, Cu, Mn, Zn, Pb).

The Results showed that there is significant difference in the concentration of each element in most of the samples. The concentrations of elements a

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Publication Date
Wed Jul 29 2020
Journal Name
Iraqi Journal Of Science
Seismotectonics and Seismic Source Parameters of the Mid-Eastern Iraq - Western Iran Using Moment Tensor Inversion Technique
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     The study area is encompassed by the 33.59-34.93°N latitudes and 45.44-46.39°E longitudes and divided into four groups with respect to earthquake event locations. We determined fault plane solutions, moment magnitudes, focal depths, and trend of slip with the direction of the moment stress axes (P, N, and T) for 102 earthquakes. These earthquakes had a local magnitude in the range between 4.0 and 6.4 for the time period from January 2018 to the end of August 2019, with focal depths ranged between 6 and 17 km. Waveform moment tensor inversion technique was used to analyze the database constructed from seismic stations on local and neighboring country networks (Iraq, Iran, and Turkey). We separated the studie

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Publication Date
Mon May 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
On a New Kind of Collection of Subsets Noted by δ–field and Some Concepts Defined on δ–field
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     The objective of this paper is, first, study a new collection of sets such as field and we discuss the properties of this collection. Second, introduce a new concepts related to the field such as measure on field, outer measure on field and we obtain some important results deals with these concepts. Third, introduce the concept of null-additive on field as a generalization of the concept of measure on field. Furthermore, we establish new concept related to - field noted by weakly null-additive on field as a generalizations of the concepts of measure on and null-additive. Finally, we introduce the restriction of a set function  on field and many of its properties and characterizations are given.

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Publication Date
Mon Jun 17 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Spectral Studies on Cobalt(II), Nickel(II), Copper(II), Palladium(II), Platinum(II, IV), Zinc(II), Cadmium(II) and Mercury(II) Complexes of(1, 2-diaminoethane-N,N'-bis(2- butylidine-3 onedioxime)
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The synthesis of [1,2-diaminoethane-N,N'-bis(2-butylidine-3- onedioxime)] [II2L] and its cobalt(II), nickel(II), copper(II), palladium(II), platinum(II, IV), zinc(II), cadmium(II) and mercury(II) complexes is reported. The compounds were characterised by elemental analyses, spectroscopic methods [I.R, UV-Vis, ('H NMR. and EI mass for H2L)], molar conductivities, magnetic moments. I.R. spectra show that (H2L) behaves as a neutral or mononegative ligand depending on the nature of the metal ions. The molar conductance of the complexes in (DMSO) is commensurate with their ionic character. On the basis of the above measurements, a square planar geometry is proposed for NOD, Pd(II), and Pt(II) complexes, and an octahedr-al structure with trans

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Publication Date
Mon Apr 24 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of Annealing Temperatures on the Structural and Optical Properties of ZnO and ZnO:Al Thin Films Prepared By Thermal Evaporation Technique
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 We studied the changing of structural and optical properties of pure and Aluminum-doped ZnO thin films prepared by thermal evaporation technique on glass substrates at thickness (800±50)nm with changing of annealing temperatures ( 200,250,300 )℃ for one hour. The investigation of (XRD) indicates that the pure and doped ZnO thin films were polycrystalline of a hexagonal wurtzite structure with preferred orientation along (002) plane. The grain size was decreased with doping before annealing, but after annealing the grain size is increasing with the increase of annealing temperature for pure film whereas for the doped films with ratios 1 %, 2 % we found that the grain size is larger than that before annealing. The grain size

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