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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
Sun Jul 31 2022
Journal Name
Iraqi Journal Of Science
The generalized Cayley graph of complete graph K_n and complete multipartite graphs K_(n,n) and K_(n,n,n)
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Suppose that  is a finite group and  is a non-empty subset of  such that  and . Suppose that  is the Cayley graph whose vertices are all elements of  and two vertices  and  are adjacent if and only if . In this paper, we introduce the generalized Cayley graph denoted by  that  is a graph with vertex set consists of all column matrices  which all components are in  and two vertices  and  are adjacent if and only if , where  is a column matrix that each entry is the inverse of similar entry of  and  is  matrix with all entries in  ,  is the transpose of  and . In this paper, we clarify some basic properties of the new graph and assign the structure of  when  is complete graph , complete bipartite graph  and complete

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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
A New Green Approach of CFIA Technique for Direct Assay with a High Throughput of Sulfamethoxazole Drugs Using Condensation Reaction with NQS Agent
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A new design of manifold flow injection (FI) coupling with a merging zone technique was studied for sulfamethoxazole determination spectrophotometrically. The semiautomated FI method has many advantages such as being fast, simple, highly accurate, economical with high throughput . The suggested method based on the production of the orange- colored compound of SMZ with (NQS)1,2-Naphthoquinone-4-Sulphonic acid Sodium salt in alkaline media NaOH at λmax 496nm.The linearity range of sulfamethoxazole was  3-100  μg. mL-1, with (LOD) was 0.593 μg. mL-1 and the RSD% is about 1.25 and the recovery is 100.73%. All various physical and chemical parameters that have an effect on the stability and development of

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Publication Date
Thu Oct 01 2009
Journal Name
Journal Of The Faculty Of Medicine Baghdad
C.T Scan Measurements of the Lateral and Third Ventricles in Apparently Normal Iraqi Subjects
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Background: Cerebral ventricular enlargement has been associated with many neurological disorders. Whether this enlargement is primary or secondary to these pathological conditions remains controversial. To define such enlargement, one must have measurements in normal subjects (controls).
Patients and methods: One hundred-twelve (66 male and 46 females) apparently healthy normal subjects, with age ranging between 10-69 years were subjected to C. T scans as part of routine diagnostic workup for complaint of headache or recent minor motor-vehichle accident The ratio (measured as percent) of the ventricular-cross area of the lateral ventricle The maximum width (MTW) of the third ventricle was also deter

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Publication Date
Mon Dec 23 2024
Journal Name
Al-nahrain Journal For Engineering Sciences
The Effect of Magnetic Abrasive Finishing on the Flat Surface for Ferromagnetic and non-Ferromagnetic materials
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Magnetic Abrasive Finishing (MAF) is an advanced finishing method, which improves the quality of surfaces and performance of the products. The finishing technology for flat surfaces by MAF method is very economical in manufacturing fields an electromagnetic inductor was designed and manufactured for flat surface finishing formed in vertical milling machine. Magnetic abrasive powder was also produced under controlled condition. There are various parameters, such as the coil current, working gap, the volume of powder portion and feed rate, that are known to have a large impact on surface quality. This paper describes how Taguchi design of experiments is applied to find out important parameters influencing the surface quality generated during

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Publication Date
Sun Nov 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
The effect of using Nano iron oxide in radiological shielding
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Abstract<p>In this study, some attenuation parameters of gamma shields were studied. This shields consisting of composite materials of Unsaturated polyester as a base material and Nano iron oxide (Fe<sub>2</sub>O<sub>3</sub>) and, micro iron (Fe) as reinforcement materials at different percentages (1, 3,5,7and 9)wt%, and with different thickness (1, 1.5, 2, 2.5, 3, 3.5and 4) cm. The results showed that the use of nanoparticles is better than the microparticales in the field of radiation shielding. It has been shown that the values of attenuation parameters of gamma it bitter in the case of nanoparticles than case of the use of micro material.</p>
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Publication Date
Tue Dec 03 2013
Journal Name
Ibn Al-haitham Journal For Pure And Applied Science
New adaptive satellite image classification technique for al Habbinya region west of Iraq
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Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
New Adaptive Satellite Image Classification Technique for Al habbinya Region West of Iraq
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   Developing a new adaptive satellite images classification technique, based on a new way of merging between regression line of best fit and new empirical conditions methods. They are supervised methods to recognize different land cover types on Al habbinya region. These methods should be stand on physical ground that represents the reflection of land surface features.      The first method has separated the arid lands and plants. Empirical thresholds of different TM combination bands; TM3, TM4, and TM5 were studied in the second method, to detect and separate water regions (shallow, bottomless, and very bottomless). The Optimum Index Factor (OIF) is computed for these combination bands, which realized

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Publication Date
Thu Oct 01 2020
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Design of an adaptive state feedback controller for a magnetic levitation system
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This paper presents designing an adaptive state feedback controller (ASFC) for a magnetic levitation system (MLS), which is an unstable system and has high nonlinearity and represents a challenging control problem. First, a nonadaptive state feedback controller (SFC) is designed by linearization about a selected equilibrium point and designing a SFC by pole-placement method to achieve maximum overshoot of 1.5% and settling time of 1s (5% criterion). When the operating point changes, the designed controller can no longer achieve the design specifications, since it is designed based on a linearization about a different operating point. This gives rise to utilizing the adaptive control scheme to parameterize the state feedback controll

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Publication Date
Thu Feb 01 2024
Journal Name
Russian Journal Of Bioorganic Chemistry
Synthesis, Identification, Antioxidant, Molecular Docking, and In Silico ADME Study for Some New Derivatives Containing Thiourea Moiety
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Objective: Synthesized a series of new thiourea (TU) derivatives, tested their antioxidant activity, and investigated their expected biological activity by theoretical study (computational methods). Methods: The derivatives were made using a one-pot reaction with two steps. Initially, succinyl chloride was mixed with KSCN to make succinyl isothiocyanate. Then, primary and secondary amines were used to make TU derivatives. The theoretical studies were done by Swiss ADME and molecular docking via Genetic Optimization of Linkage Docking (GOLD). Then evaluate antioxidant activity using the DPPH scavenging method. Results: FT-IR, 1H NMR, and 13C NMR spectroscopy show the verification of all the prepared derivatives. Compounds (II), (VIII),

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Publication Date
Sat Jan 01 2022
Journal Name
Indonesian Journal Of Electrical Engineering And Computer Science (ijeecs)
A new smart approach of an efficient energy consumption management by using a machine-learning technique
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Many consumers of electric power have excesses in their electric power consumptions that exceed the permissible limit by the electrical power distribution stations, and then we proposed a validation approach that works intelligently by applying machine learning (ML) technology to teach electrical consumers how to properly consume without wasting energy expended. The validation approach is one of a large combination of intelligent processes related to energy consumption which is called the efficient energy consumption management (EECM) approaches, and it connected with the internet of things (IoT) technology to be linked to Google Firebase Cloud where a utility center used to check whether the consumption of the efficient energy is s

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