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 absorbed on
carbon steel surface with good inhibition efficiency by offering electrons from rich
hetero-atoms such as nitrogen and oxygen to unoccupied d-orbitals of Fe metal and
forming antibonding orbital-feedback bonds.
In this paper, a new third kind Chebyshev wavelets operational matrix of derivative is presented, then the operational matrix of derivative is applied for solving optimal control problems using, third kind Chebyshev wavelets expansions. The proposed method consists of reducing the linear system of optimal control problem into a system of algebraic equations, by expanding the state variables, as a series in terms of third kind Chebyshev wavelets with unknown coefficients. Example to illustrate the effectiveness of the method has been presented.
Characterized the Middle East has geographic, economic, and geostrategic peculiarities, but it suffers from many problems, such as disagreement over what it means as a concept, or what it represents of a geographic extension. The question is related to the ambiguity surrounding the concept of the Middle East? The purpose of its launch? As it relates to its geostrategic, economic, and geo-cultural importance? And manifestations of this importance? And to what extent he retained his value in the strategies of the major powers? Research hypotheses:
-The multiplicity of concepts for the Middle East region, with international political and Geostrategic interests.- The geostrategic value of the Middle East has made it a focal point for
... Show MoreMetoclopramide HCl (MTB) is a potent antiemetic drug used for the treatment of nausea and vomiting. Many trials were made to prepare a satisfactory MTB orodispersible tablet using direct compression method.Various super disintegrants were used in this study which are croscarmellose sodium (CCS), sodium starch glycolate (SSG) and crospovidone (CP). The latter was the best in terms of showing the fastest disintegration time in the mouth.Among the different diluents utilized, it was found that a combination of microcrystalline cellulose PH101 (MCC 101), mannitol, dicalcium phosphate dihydrate (DPD) and Glycine was the best in preparing MTB orodispersible tablet with fastest disintegration time in the mouth.The physical parameters of the pre
... Show MoreA series of new aromatic polyesters have been synthesized by polycondensation of different aromatic diols (M1, M2 ,M3) with different dicarboxlic acids (4,4'azo di benzoic acid, malic acid and adipic acid) using dibutyltine dilaurate as catalyst . The preparation of thermally stable polyesters was successfully applied with good yields (60-85%). All polyesters (PE1-PE4) containing aliphatic methylene linkage, and azo group in the main chain. The resulted polymers are readily soluble in aprotic polar solvents , such as (pyridine , CHCl3 , CH2Cl2 , NaOH , H2SO4 , HNO3 , acetone , benzene , DMF , DMSO , THF) without need for heating. Thermal analysis of polyesters by Thermo Gravimetric Analysis (TGA) reveals that these aromatic polyesters po
... Show MoreN, N′- bis[4-hydroxy phenyl] pyromillitdiimide [II] was prepared from the corresponding diamic acid , which was transfered to its new ester by the reaction with chloroethyl acetate [III ], [III] was used to prepare the novel hydrazide derivative [IV] , which was allowed to react with several aldehydes to yield the hydrazones [V – IX]. All the new compounds were synthesized , and characterized by their melting points .HNMR for some of them1FTIR,C,H,N analysis and ,
N, N′- bis[4-hydroxy phenyl] pyromillitdiimide [II] was prepared from the corresponding diamic acid , which was transfered to its new ester by the reaction with chloroethyl acetate [III ], [III] was used to prepare the novel hydrazide derivative [IV] , which was allowed to react with several aldehydes to yield the hydrazones [V – IX]. All the new compounds were synthesized , and characterized by their melting points .HNMR for some of them1FTIR,C,H,N analysis and ,
To follow up the response of acute lymphoblastic leukemic
(ALL) patients to chemotherapy treatment and for prognosis, diagnosis, the total Sialic acid (TSA) levels was studied as a tumor marker. The study included 40 patients (male = 22, female =18) with (ALL) were tested for the serum and leukocytes homogenate concentrations of total sialic acid (TSA) before and after treatment with six different chemotherapy protocols. &n
... Show MoreCoronavirus 2 is the cause of coronavirus disease 2019 (COVID-19), which leads to severe acute respiratory illness. Matrix metalloproteinases (MMPs) have been linked to leukocyte infiltration and chemokine activation during inflammatory responses. Tissue inhibitors of metalloproteinase (TIMP) family are thought to dampen the proinflammatory effects of these MMPs. The molecular pathways of lung fibrosis are mediated by MMPs and TIMPs. In this study, we sought to investigate the probable link between MMPs, specifically MMP-3, TIMP-2, and COVID-19. The study included 58 COVID-19 patients and 30 apparently healthy individuals matched in terms of age and sex. Multiplex real- time PCR was used to detect the ORF1ab, E, and N genes of
... Show MoreAn accurate and sensitive spectrophotometric method has been developed for the determination of cefotaxime (CEF) in pure and pharmaceutical samples. The suggested method depended on the coupling reaction between diazotized cefotaxime and 3,5-dimethyl phenol (3,5-DMPH) in basic medium to form light orange, water soluble dye, that is stable and has a maximum absorbance at 497nm. The calibration graph was liner over the concentration range (1-70) µg.mL-1 with LOD of 0.750 µg.mL-1 and LOQ of. 2.740 µg. mL-1, sandal sensitivity of 0.0526 µg. cm-2 . molar absorptivity 11328 Lmol-1 cm-1 . The stoichiometry composition was found by Jobs a
... Show MoreNanomaterials became targeted materials for many important applications due to its huge surface area and quantum confinement effects. In this work TiO2 nanoparticles (30nm) were used as additive to enhance the corrosion protection of steel rebar in artificial concrete solution (Ca(OH)2 (2g), KOH (22.44mg), NaOH (8mg) in 1L of distilled water) against saline environment (3.5%NaCl) at four temperatures; 20, 30, 40, and 50á´¼C. Three different concentrations of TiO2 NPs were used namely; 1, 3, and 5% by weight. The corrosion parameters and pitting probability were followed using Tafel and cyclic polarization plots respectively. Protection enhancement was recorded at all TiO2<
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