In this work, we are concerned with how to find an explicit approximate solution (AS) for the telegraph equation of space-fractional order (TESFO) using Sumudu transform method (STM). In this method, the space-fractional order derivatives are defined in the Caputo idea. The Sumudu method (SM) is established to be reliable and accurate. Three examples are discussed to check the applicability and the simplicity of this method. Finally, the Numerical results are tabulated and displayed graphically whenever possible to make comparisons between the AS and exact solution (ES).
PM3 and DFT quantum mechanical calculations were employed to give further
insight into the inhibition efficiency of the newly prepared cefotaxime amic acid
derivative. The calculated physical properties and quantum chemical parameters
correlated to the inhibition efficiency such as EHOMO (highest occupied molecular
orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap
(ΔE(HOMO-LUMO)), hardness (η), softness (S), dipole moment (μ), electron affinity
(EA), ionization potential (IE) and active site absorption..…etc., all studied and
discussed at equilibrium geometry in the gas phase and at its right symmetry (C1).
Experimentally the newly prepared cefotaxime derivative could be abso
(4R)-2, 3-(2`-chloro-2`- carboxyl)-1, 3-dioxolano-4- (2- dimethyl –dioxolane -yl) ascorbic acid (HL), a derivative of L-ascorbic acid was prepared by the reaction of 5,6-O-isopropylidene–L-ascorbic acid with trichloroacetic acid in alkaline medium. Seven new metal ion complexes of this ligand (HL) were prepared through its direct reaction with the chlorides of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) ions respectively. The new ligand and its ion metal complexes were characterized applying elemental analyses,1H and 13C NMR, IR as well as UV-Visible spectra. Spectroscopic data showed that the ligand (C11H11O8Cl) was coordinated to the metal ions through the two oxygen atoms of the carboxyl group as abidentate ligan
... Show MoreIn this work, we employ a new normalization Bernstein basis for solving linear Freadholm of fractional integro-differential equations nonhomogeneous of the second type (LFFIDEs). We adopt Petrov-Galerkian method (PGM) to approximate solution of the (LFFIDEs) via normalization Bernstein basis that yields linear system. Some examples are given and their results are shown in tables and figures, the Petrov-Galerkian method (PGM) is very effective and convenient and overcome the difficulty of traditional methods. We solve this problem (LFFIDEs) by the assistance of Matlab10.
In this work, new Schiff bases of quinazolinone derivatives (Q1-Q5) were synthesized from methyl anthranilate. The synthesis involved three steps. In the first step, methyl anthranilate was reacted with isothiocyanatobenzene, producing the thiourea derivative K1. The second step entailed reacting K1 with hydrazine hydrate, synthesizing 3-amino-2-(phenylamino) quinazolin-4(3H)-one (K2). The third step involved reaction of K2 with various aromatic aldehydes, yielding the Schiff bases derivatives Q1-Q5. The chemical structures of these compounds were identified by FT-IR,1H NMR and 13C NMR spectroscopy. The newly synthesized derivatives (Q1-Q5) were subjected to rigorous evaluation to assess their efficacy as corrosion inhibitors for ca
... Show MoreThe method of operational matrices is based on the Bernoulli and Shifted Legendre polynomials which is used to solve the Falkner-Skan equation. The nonlinear differential equation converting to a system of nonlinear equations is solved using Mathematica®12, and the approximate solutions are obtained. The efficiency of these methods was studied by calculating the maximum error remainder ( ), and it was found that their efficiency increases as increases. Moreover, the obtained approximate solutions are compared with the numerical solution obtained by the fourth-order Runge-Kutta method (RK4), which gives a good agreement.
In this paper, a general expression formula for the Boubaker scaling (BS) operational matrix of the derivative is constructed. Then it is used to study a new parameterization direct technique for treating calculus of the variation problems approximately. The calculus of variation problems describe several important phenomena in mathematical science. The first step in our suggested method is to express the unknown variables in terms of Boubaker scaling basis functions with unknown coefficients. Secondly, the operational matrix of the derivative together with some important properties of the BS are utilized to achieve a non-linear programming problem in terms of the unknown coefficients. Finally, the unknown parameters are obtaine
... Show MoreIn 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.
A new imidazolidine 4-one derivative, of namly 2-[2-(4-Bromo-phenyl)-imidazo [1,2-a] pyridine-3-yl]-3-(4-nitro-phenyl)-imidazolidine-4-one (BPIPNP) was investigated as corrosion inhibitor for carbon steel in salty (3.5% NaCl) and acidic (0.5M HCl) solutions using potentiometric polarization measurements. The results revealed that the percentage inhibition efficiencies (%IE) in the salty solution (90.67%) are greater than that in the acidic solution (83.52%). Experimentally, the thermodynamic parameters obtained have supported a physical adsorption mechanism and which followed Langmuir adsorption isotherm. Density Functional Theory (DFT) of quantum mechanical method with B3LYP 6-311++G (2d, 2p) level was used to calculate geometrical stru
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