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Investigation of the vibrational spectral and electronic properties for ZnxBe7-xO7 wurtzoid via DFT approximation

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Publication Date
Mon May 01 2017
Journal Name
Journal Of Stored Products Research
Detection and prediction of Sitophilus oryzae infestations in triticale via visible and near-infrared spectral signatures

Triticale is a hybrid of wheat and rye grown for use as animal feed. In Florida, due to its soft coat, triticale is highly vulnerable to Sitophilus oryzae L. (rice weevil) and there is interest in development of methods to detect early-instar larvae so that infestations can be targeted before they become economically damaging. The objective of this study was to develop prediction models of the infestation degree for triticale seed infested with rice weevils of different growth stages. Spectral signatures were tested as a method to detect rice weevils in triticale seed. Groups of seeds at 11 different levels (degrees) of infestation, 0–62%, were obtained by combining different ratios of infested and uninfested seeds. A spectrophotometer wa

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Publication Date
Thu Jan 04 2024
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Achieving customer satisfaction by booking electronic flight tickets via the Internet of Things technology

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                The aim of this research is to highlight the importance of achieving customer satisfaction by using information technology and Internet networks in the process of purchasing flight tickets, and switching from the traditional method of purchasing and payment operations to the electronic method, to reduce the financial and non-financial risks associated with the traditional purchasing process, as well as saving time, effort and costs for the customer. The researcher used the deductive approach in linking the variables (achieving customer satisfaction and Internet of Things technology for booking electronic tickets)

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Publication Date
Tue Nov 13 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Approximation Solution of a Nonlinear Parabolic Boundary Value Problem Via Galerkin Finite Elements Method with Crank-Nicolson

    This paper deals with finding the approximation solution of a nonlinear parabolic boundary value problem (NLPBVP) by using the Galekin finite element method (GFEM) in space and Crank Nicolson (CN) scheme in time, the problem then reduce to solve a Galerkin nonlinear algebraic system(GNLAS). The predictor and the corrector technique (PCT) is applied here to solve the GNLAS, by transforms it to a Galerkin linear algebraic system (GLAS). This GLAS is solved once using the Cholesky method (CHM) as it appear in the matlab package and once again using the Cholesky reduction order technique (CHROT) which we employ it here to save a massive time. The results, for CHROT are given by tables and figures and show

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Publication Date
Mon May 15 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Formation of Binuclear Metal Complexes with Multidentate Schiff-base Oxime Ligand: Synthesis and Spectral Investigation

The new polydentate Schiff-base oxime  (1E,1`E)-2hydroxy-3-((E)-(2-((E)-2hydrxy3-((E)-(hydroxyimino)methyl)-5-methylbenzyldeneamino)ethylimino)methyl)-5methylbenzaldehyde oxime H4L and its binuclear metal complexes with Mn(II), Fe(II), Co(II) and Cu(II) are reported. The reaction of 2,6 diformyl–4–methyl phenol with hydroxyl amine hydrochloride in mole ratios of 1:1 gave the precursor (E)-2-hydroxy-3((hydroxyimino)methyl)-5-methylbenzaldehyde. Condensation reaction of precursor with ethylenediamine in mole ratios of 2:1 gave the new N4O2 Schiff-base oxime ligand H4L. Upon complex formation, the ligand behaves as a tribasic hexadantate species.  The mode of bonding and overall geometry of the complexes were determi

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Publication Date
Fri Jun 24 2022
Journal Name
Iraqi Journal Of Science
Spectral Properties, Reconstitution and Kinetics of Paracoccous denitrificans Isovaleryl-CoA Dehydrogenase

Isovaleryl CoA dehydrogenase (IVDH) is a flavoprotein that introduce a trans-double bond between C2 and C3 of the isovaleryl CoA substrate, an intermediate in leucine catabolism pathway. Interrogation of the Paracoccus denitrificans Pd1222 genome has identified Pden_3633 gene as a candidate to encode for IVDH. In previous study by Rafid et al (under the publishing), this putative IVDH was expressed in E. coli and purified as N-terminal Strep-tagged protein. In current study, spectral properties of the purified IVDH were conducted and the results showed that the enzyme was obtained as an apoprotein. For this reason, IVDH has been reconstituted by incubation with flavin adenine dinucleotide (FAD) and the experiment showed that the ratio 1:

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Publication Date
Thu Feb 28 2019
Journal Name
Iraqi Journal Of Science
Approximation Solution of Nonlinear Parabolic Partial Differential Equation via Mixed Galerkin Finite Elements Method with the Crank-Nicolson Scheme

The approximate solution of a nonlinear parabolic boundary value problem with variable coefficients (NLPBVPVC) is found by using mixed Galekin finite element method (GFEM) in space variable with Crank Nicolson (C-N) scheme in time variable. The problem is reduced to solve a Galerkin nonlinear algebraic system (NLAS), which is solved by applying the predictor and the corrector method (PCM), which transforms the NLAS into a Galerkin linear algebraic system (LAS). This LAS is solved once using the Cholesky technique (CHT) as it appears in the MATLAB package and once again using the General Cholesky Reduction Order Technique (GCHROT), the GCHROT is employed here at first time to play an important role for saving a massive time. Illustrative

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Publication Date
Mon Jan 30 2023
Journal Name
Iraqi Journal Of Science
Investigation of Aluminum Arsenide Honeycomb Monolayer via Density Functional Theory

    First principle calculations are performed to theoretically predict the physical properties of hexagonal aluminium arsenide planar and buckled monolayers. The structural characteristics showed that the buckled parameter is about 0.32 A°. Cohesive energies have favourable values and it indicates the fabrication possibility. Phonon dispersion properties indicated that the planar aluminium arsenic monolayers are dynamically unstable, while the buckled is less dynamically unstable. The elastic constant parameters achieved the required characteristics of stable hexagonal monolayer structures. The study of electronic band structure prefers to indirect semiconductor band gaps, and the density of states showed strong orbital hybridizati

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Publication Date
Thu Dec 30 2021
Journal Name
Iraqi Journal Of Science
Ab initio Study of the Electronic and Optical Properties of Stable Boron Sheet

    Utilizing first principles calculations within PW91 exchange-correlation method, we investigated a boron sheet that exhibits related electronic properties. The 2-dimensional boron sheet is flattened and has an atomic structure where the pair cores of every three ordered hexagons within the hexagonal network are loaded up by extra atoms, which saves the triangular lattice symmetry. The boron sheet takes possession of intrinsic metal properties and the electronic bands are comparable to the  bands of the graphene that are close to the Fermi level. The real and imaginary parts of the dielectric function show a metallic or semiconductor behaviour, depending on the electric field direction.

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Publication Date
Mon Jan 01 2024
Journal Name
Kuwait Journal Of Science
The effect of magnetic field variations on the spectral properties of tornado plasma

At atmospheric pressure and at a frequency of 9.1 kHz, a constructed magnetically stabilized tornado gliding arc discharge (MSGAD) system was utilized in this study to generate a non-thermal plasma with an alternating voltage source from 2,4,6,8 to 10 kV. Argon gas was used to generate the arc plasma with an adjustable flow rate using a flow meter regulator to stabilize the gas flow rate to 2 L/min. A gliding plasma discharge is achieved by a magnetic field for the purpose of a planned investigation. The influence of the magnetically stabilized tornado gliding arc discharge parameters such as magnetic field and applied voltage on microscopic tornado plasma parameters was studied. The electron temperature1was measured using a Boltzmann plot

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Publication Date
Sun Nov 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
Theoretical and experimental studies for different compounds to calculate: electronic transfer, energy gap and NLO properties

This work involves theoretical and experimental studies for seven compounds to calculate the electrons spectrum and NLO properties. The theoretical study is done by employing the Time Depending Density Functional Theory TD-DFT and B3LYP/high basis set 6-311++G (2d,2p), using Gaussian program 09. Experimental study by UV/VIS spectrophotometer device to prove the theoretical study. Theoretical and experimental results were applicable in spectrum and energy gap values, in addition to convergence theoretically the energy gap results from ΔEHOMO-LUMO and UV/VIS. spectrum. Consider the theoretical method very appropriate to compounds that absorb in vacuum UV.

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