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.
Synthesis of new heterocyclic compounds containing four five-membered rings together was the main goal of this work. The new derivatives of [tetrakis (1,2,4-triazole /1,3,4-thiadiazole /1,3,4-oxadiazole][bis-(benzene-1,3,5-triyl)] dioxymethylene A7-A18 were synthesized by the reaction of [bis-(dimethyl 5-yl-isophthalate)] dioxymethylene compound A1 which was previously prepared from the reaction of 1,2-dibromomethan and dimethyl 5-hydroxyisophthalate, then treated with hydrazine hydrate to yield the corresponding acid hydrazide A2. In the next step, compound A2 was refluxed with 4-substituted isothiocyanate to give substituted thiosemicarbazides A3-A6. The treatment of the latter compounds in basic medium of 2M o
... Show MoreIn this work, the gamma-ray shielding parameters of red clay and boron-doped red clay with different sample thicknesses are theoretically and experimentally reported. These shielding parameters are considered at a photon energy of 0.662 MeV emitted from 137Cs. The theoretical calculations are demonstrated using the XCom software program, while a scintillation detector, NaI(TI), with an efficiency of 98% is used to attain the experimental results of the mass attenuation coefficient of the prepared samples. The acquired results show that the boron-doped clay delivers a higher mass attenuation coefficient as compared to those of pure clay. Additionally, the mass attenuation coefficient exhibits an increasing behavior w
... Show MoreRestoration is the main process in many applications. Restoring an original image from a damaged image is the foundation of the restoring operation, either blind or non-blind. One of the main challenges in the restoration process is to estimate the degradation parameters. The degradation parameters include Blurring Function (Point Spread Function, PSF) and Noise Function. The most common causes of image degradation are errors in transmission channels, defects in the optical system, inhomogeneous medium, relative motion between object and camera, etc. In our research, a novel algorithm was adopted based on Circular Hough Transform used to estimate the width (radius, sigma) of the Point Spread Function. This algorithm is based o
... Show MoreBenzene is a hydrocarbon chemical consisting of six atoms arranged in a ring structure. At normal ambient temperatures; it is a liquid, which evaporates rapidly at room temperature and is highly flammable. It has a characteristic of aromatic odor and is slightly soluble in water (1.5 g/liter at 20ºC) but miscible with most other organic solvents [1]. Long-term inhalation of benzene causes blood disorders. It specifically affects bone marrow [2]. And it may cause anemia, excessive bleeding, damage to the immune system and DNA [3, 4]. Increased incidence of leukemia (cancer of the tissues that form white blood cells) has been observed in people occupationally exposed to
... Show MoreA series of new 1,8-naphthalimides linked to azetidinone, thiazolidinone or tetrazole moieties were synthesized. N-ester-1,8-naphthalimide (1) was obtained by direct imidation of 1,8-naphthalic anhydride with ethylglycinate. Compound (1) was treated with hydrazine hydrate in absolute ethanol to give N-acetohydrazide-1,8-naphthalimide (2). The hydrazine derivative (2) was used to obtain new Schiff bases (3-7). Three routes with different reagents were used for the cyclization of the prepared Schiff bases. Fifteen cyclic Schiff bases (8-22) with four- and five-membered rings were obtained.
The structures of the newly synthesized compounds were identified by their FTIR, 1H-NMR, 13C-NMR spectral data and some physical properties. Furtherm
The elastic magnetic electron scattering form factors and the magnetic dipole moments have been studied for the ground state of 19C (halo) (JπT= 1/2+ 7/2) nucleus carried out using psd-shell Millener-Kurath (PSDMK) interactions. The single-particle wave functions of harmonic-oscillator (HO) potential are used with two different oscillator parameters bcore and bhalo. According to this interaction, the core nucleons of 18C nucleus are assumed to move in the model space of spd. The outer halo (1-neutron) in 19C is assumed to move in the pure 2s1/2 orbit. The elastic magnetic electron scattering of the stable 13C and exotic 19C nuclei are investigated through Plane Wave Born Approximation (PWBA). It is found that the difference between the
... Show MoreThe elastic magnetic electron scattering form factors and the magnetic dipole moments have been studied for the ground state of 19C (halo) (JπT= 1/2+ 7/2) nucleus carried out using psd-shell Millener-Kurath (PSDMK) interactions. The single-particle wave functions of harmonic-oscillator (HO) potential are used with two different oscillator parameters bcore and bhalo. According to this interaction, the core nucleons of 18C nucleus are assumed to move in the model space of spd. The outer halo (1-neutron) in 19C is assumed to move in the pure 2s1/2 orbit. The elastic magnetic electron scattering of the stable 13C and exotic 19C nuclei are investigated through Plane Wave Born Approximation (PWBA). It is found that the difference between the
... Show MoreA case of angiolymphoid hyperplasia with eosinophilia (ALH) is reported in a 42-year-old woman who developed multiple nodules behind the ear. Angiolymphoid hyperplasia with eosinophilia usually occurs on the head and neck of young adults and is more common in women than in men. Characteristic histologic features of ALH present in this case included proliferation of thick-walled blood vessels lined by prominent endothelial cells, infiltration of the interstitium by chronic inflammatory cells (mainly eosinophils), and presence of lymphoid follicles with germinal centers. The patient referred for surgeon for complete excision. in this context , cases previously described in the literature, and the differential diagnosis of ALH are discussed
... Show MoreA 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
... Show MoreMicrofinance Institutions (MFIs) offers small loans with easy repayment system and till now these institutions have served millions of needy people around the globe. This study highlights the hurdles influence the smooth working and growth of Microfinance institution in Egypt. The structured interviews were conducted from the top and mid-level managers of MFI's. This study revealed that interest rate, political and economic conditions, corruption, customer outreach, competition and technology are the important elements for MFI's success. It is evident that lack of use of technology and less importance drawn on customer outreach programs are the main challenges of MFI's in Egypt. This study provides a roadmap for practitioners and strategic
... Show More