Efficient Meshing Scheme for Bodies of Revolution-Application to Physical Optics Prediction of Electromagnetic Scattering

Asadi, Zohreh; Mohtashami, Vahid

doi:10.2528/pierm16041102

Cited by 5 publications

(2 citation statements)

References 22 publications

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“…[45] On complexation this band disappears, suggesting the coordination of azomethine nitrogen to the metal ion, as the formation of the metal-nitrogen bond stabilizes the electron pair on the nitrogen atom. [46] Thus, addition of metal ion to ligand solution causes characteristic changes in the visible absorption spectrum of the ligand, suggesting an immediate complex formation in solution. [47] The designed complexes display a characteristic band centred at λ max = 251-393 nm, due to an intramolecular charge transfer transition taking place in the complexed ligand.…”

Section: Electronic Spectra and Magnetic Properties Of Metal Complexesmentioning

confidence: 99%

Ni(II) and Cu(II) complexes with ONNO asymmetric tetradentate Schiff base ligand: synthesis, spectroscopic characterization, theoretical calculations, DNA interaction and antimicrobial studies

Abdel‐Rahman

Abu‐Dief

Moustafa

et al. 2016

Applied Organom Chemis

140

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A novel Schiff base, namely Z‐3‐((2‐((E)‐(2‐hydroxynaphthyl)methylene)amino)‐5‐nitrophenylimino)‐1,3‐dihydroindin‐2‐one, was synthesized from the condensation of 2‐hydroxy‐1‐naphthaldehyde and isatin with 4‐nitro‐o‐phenylenediamine. It was structurally characterized on the basis of 1H NMR, 13C NMR and infrared spectra and elemental analyses. In addition, Ni(II) and Cu(II) complexes of the Schiff base ligand were prepared. The nature of bonding and the stereochemistry of the investigated complexes were elucidated using several techniques, including elemental analysis (C, H, N), Fourier transform infrared and electronic spectroscopies and molar conductivity. The thermal behaviours of the complexes were studied and kinetic–thermodynamic parameters were determined using the Coats–Redfern method. Density functional theory calculations at the B3LYP/6‐311G++ (d, p) level of theory were carried out to explain the equilibrium geometry of the ligand. The optimized geometry parameters of the complexes were evaluated using LANL2DZ basis set. The total energy of highest occupied and lowest unoccupied molecular orbitals, Mullikan atomic charges, dipole moment and orientation are discussed. Moreover, the interaction of the metal complexes with calf thymus DNA (CT‐DNA) was explored using electronic spectra, viscosity measurements and gel electrophoresis. The experimental evidence indicated that the two complexes could strongly bind to CT‐DNA via an intercalation mechanism. The intrinsic binding constants of the investigated Ni(II) and Cu(II) complexes with CT‐DNA were 1.02 × 106 and 2.15 × 106 M−1, respectively, which are higher than that of the standard ethidium bromide. Furthermore, the bio‐efficacy of the ligand and its complexes was examined in vitro against the growth of bacteria and fungi to evaluate the antimicrobial potential. Based on the obtained results, the prepared complexes have promise for use as drugs. Copyright © 2016 John Wiley & Sons, Ltd.

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Section: Electronic Spectra and Magnetic Properties Of Metal Complexesmentioning

confidence: 99%

Ni(II) and Cu(II) complexes with ONNO asymmetric tetradentate Schiff base ligand: synthesis, spectroscopic characterization, theoretical calculations, DNA interaction and antimicrobial studies

Abdel‐Rahman

Abu‐Dief

Moustafa

et al. 2016

Applied Organom Chemis

140

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“…The E a values obtained from these methods were used as reference for determining the most suitable kinetic model g(α) by the Coat-Redfern (CR) method [29] and later to determine the preexponential factor A. The other kinetic parameters H # , S # , and G # were calculated using their corresponding equations [30].…”

Section: Thermal Decomposition Studiesmentioning

confidence: 99%

Kinetics and Mechanism of the Thermal and Hydrolytic Decomposition Reaction of Rosocyanin

John

Rugmini

Nair

2018

Int J of Chemical Kinetics

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Spiroborate esters of curcumin find applications in the field of medicinal and analytical chemistry. The present paper reports the hydrolytic and thermal stability of rosocyanin, a 1:2 spiroborate ester of curcumin used for the photometric estimation of boron in different matrices. The effect of temperature, pH, and solvents was monitored spectrophotometrically for the hydrolysis of rosocyanin. The reaction followed first‐order kinetics, and the reaction rate enhanced with an increase in the percentage of water in an aqueous organic mixture, temperature, and pH. 11B NMR and UV–visible spectra were used to identify the hydrolysis product. The possible mechanistic route for the hydrolysis of rosocyanin was proposed. Solid‐state stability of rosocyanin was investigated by thermogravimetric analysis, and the data were analyzed using different solid‐state reaction models to find the suitable reaction model. Kinetic parameters associated with its thermal decomposition were calculated using Flynn–Wall–Ozawa and Kissinger–Akahira–Sunose isoconversional methods and were compared.

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Adaptive Supersampling of Rays for Accurate Calculation of Physical Optics Scattering From Parametric Surfaces

Ghanbarabad

Asadi

Mohtashami

2018

Antennas Wirel. Propag. Lett.

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Efficient Meshing Scheme for Bodies of Revolution-Application to Physical Optics Prediction of Electromagnetic Scattering

Cited by 5 publications

References 22 publications

Ni(II) and Cu(II) complexes with ONNO asymmetric tetradentate Schiff base ligand: synthesis, spectroscopic characterization, theoretical calculations, DNA interaction and antimicrobial studies

Ni(II) and Cu(II) complexes with ONNO asymmetric tetradentate Schiff base ligand: synthesis, spectroscopic characterization, theoretical calculations, DNA interaction and antimicrobial studies

Kinetics and Mechanism of the Thermal and Hydrolytic Decomposition Reaction of Rosocyanin

Adaptive Supersampling of Rays for Accurate Calculation of Physical Optics Scattering From Parametric Surfaces

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