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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Wed Jan 01 2020
Journal Name
International Journal Of Internet Protocol Technology
A low cost paging scheme for clustered PMIPv6 protocol by head-MAG entity utilisation
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Publication Date
Fri Jan 01 2016
Journal Name
Statistics And Its Interface
Search for risk haplotype segments with GWAS data by use of finite mixture models
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The region-based association analysis has been proposed to capture the collective behavior of sets of variants by testing the association of each set instead of individual variants with the disease. Such an analysis typically involves a list of unphased multiple-locus genotypes with potentially sparse frequencies in cases and controls. To tackle the problem of the sparse distribution, a two-stage approach was proposed in literature: In the first stage, haplotypes are computationally inferred from genotypes, followed by a haplotype coclassification. In the second stage, the association analysis is performed on the inferred haplotype groups. If a haplotype is unevenly distributed between the case and control samples, this haplotype is labeled

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Publication Date
Fri Mar 01 2024
Journal Name
Partial Differential Equations In Applied Mathematics
A hybrid technique for solving fractional delay variational problems by the shifted Legendre polynomials
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This study presents a practical method for solving fractional order delay variational problems. The fractional derivative is given in the Caputo sense. The suggested approach is based on the Laplace transform and the shifted Legendre polynomials by approximating the candidate function by the shifted Legendre series with unknown coefficients yet to be determined. The proposed method converts the fractional order delay variational problem into a set of (n + 1) algebraic equations, where the solution to the resultant equation provides us the unknown coefficients of the terminated series that have been utilized to approximate the solution to the considered variational problem. Illustrative examples are given to show that the recommended appro

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Publication Date
Mon Jan 30 2023
Journal Name
Iraqi Journal Of Science
Diagnostic Efficiency of Heat Shocked Protoscoleces Extract Antigens for Human Cystic Echinococcosis by ELISA
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      Diagnosis of cystic echinococcosis is complex and has to be confirmed by the combination of immunological tests and imaging techniques. In this study heat shock proteins were induced and their immunoreactivity was assessed by ELISA.

Sera were collected from 34 hydatid patients who were admitted to the Rizgary Teaching Hospital through October 2013 to July 2017, in addition to 29 healthy donors and 18 non-hydatid cases. For heat shock response, two batches of 25000 protoscoleces (Ps) were incubated separately at 42°C and 45 °C for 4 hours. Heat treated and normal Ps were disrupted and the extracts were divided into two parts. One part was directly used as source of antigens (PE, PE42 and PE45) and the other one was par

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Publication Date
Thu May 28 2020
Journal Name
Iraqi Journal Of Science
Some Geometric Properties for an Extended Class Involving Holomorphic Functions Defined by Fractional Calculus
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The main objective of" this paper is to study a subclass of holomrphic and univalent functions with negative coefficients in the open unit disk U= defined by Hadamard Product. We obtain coefficients estimates, distortion theorem , fractional derivatives, fractional integrals, and some results.

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Publication Date
Tue Mar 26 2024
Journal Name
World Electric Vehicle Journal
Fast Finite-Time Composite Controller for Vehicle Steer-by-Wire Systems with Communication Delays
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The modern steer-by-wire (SBW) systems represent a revolutionary departure from traditional automotive designs, replacing mechanical linkages with electronic control mechanisms. However, the integration of such cutting-edge technologies is not without its challenges, and one critical aspect that demands thorough consideration is the presence of nonlinear dynamics and communication network time delays. Therefore, to handle the tracking error caused by the challenge of time delays and to overcome the parameter uncertainties and external perturbations, a robust fast finite-time composite controller (FFTCC) is proposed for improving the performance and safety of the SBW systems in the present article. By lumping the uncertainties, parameter var

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Publication Date
Tue Jan 01 2019
Journal Name
Energy Procedia
Calculating Surface Roughness for a Large Scale SEM Images by Mean of Image Processing
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Publication Date
Sun Apr 26 2020
Journal Name
Iraqi Journal Of Science
Monotone Approximation by Quadratic Neural Network of Functions in Lp Spaces for p<1
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Some researchers are interested in using the flexible and applicable properties of quadratic functions as activation functions for FNNs. We study the essential approximation rate of any Lebesgue-integrable monotone function by a neural network of quadratic activation functions. The simultaneous degree of essential approximation is also studied. Both estimates are proved to be within the second order of modulus of smoothness.

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Publication Date
Mon Jan 29 2018
Journal Name
Iraqi Journal Of Science
In2O3-ZnO pyramids like structure prepared by Spray-pyrolysis Technique for gas Sensing Applications
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Polycrystalline Indium oxide (In2O3) and Indium oxide-zinc oxide (IZO) thin films mixed with 10% ZnO content were prepared by spray-pyrolysis technique at relatively low substrate temperature (150 ˚C).Field emission scanning electron microscope (FE-SEM) shows that the nanostructure at 10% ZnO content has pyramid like structure. The hall effect measurements show that the prepared samples have n-type charge carriers .The films were examined as gas sensor against H2S gas at different operating temperatures (200, 250 and 300) oC, and it was found that the IZO sample a good sensitivity to H2S gas ~ 572 % at operating temperature 200 oC, with relatively fast response time of 19 s and recovery time of 17

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Publication Date
Sun Sep 07 2014
Journal Name
Baghdad Science Journal
Deriving the Composite Simpson Rule by Using Bernstein Polynomials for Solving Volterra Integral Equations
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In this paper we use Bernstein polynomials for deriving the modified Simpson's 3/8 , and the composite modified Simpson's 3/8 to solve one dimensional linear Volterra integral equations of the second kind , and we find that the solution computed by this procedure is very close to exact solution.

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