The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations were carried out employing the used method at the Gaussian 09 package of programs. It was reported the main point for research on dominance of the bandgap of elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in the most molecules that used in this work. The side groups creates another factor that controls the value of the band gap. The dihedral angle between the two phenyl rings plays more important role in controlling the band gap in these molecules.
Low conversion copolymerization of acrylamide AM (monomer-1) have been conducted with acrylic acid AA in dry benzene at 70°C , using Benzoyl peroxide BPO as initiator . The copolymer composition has been determined by elemental analysis. The monomer reactivity ratios have been calculated by the Kelen-Tudos and Finman-Ross graphical procedures. The derived reactivity ratios (r1, r2) are: (0.620, 0.996) for (AM / AA) systems , and found that the reactivity of the monomer AA is more than the monomer AM in the copolymerization of (AA/AM) system. The reactivity ratios values were used for microstructures calculation.
In this paper, photometric analysis of two short period group of the eclipsing binaries (RS CVn); RT And and BH Vir is presented. New physical and geometric parameters were obtained by performing two computer modeling. The first model is software package PHOEBE based on the Wilson–Devinney method, and the second is Binary Maker 3 (BM3).Our results are in good agreement with those obtained using the same modeling.
The present study is to formulate and evaluate Acyclovir (ACV) microspheres using natural polymers like chitosan and sodium alginate. ACV is a DNA polymerase inhibitor used in treating herpes simplex virus infection and zoster varicella infections. Acyclovir is a suitable candidate for sustained-release (SR) administration as a result of its dosage regimen twice or thrice a day and relatively short plasma half-life (approximately 2 to 4 hours). Microspheres of ACV were prepared by an ionic dilution method using chitosan and sodium alginate as polymers. The prepared ACV microspheres were then subjected to FTIR, SEM, particle size, % yield, entrapment efficiency, in vitro dissolution studies and release kinetics mechanism. The FTI
... Show MoreIn this study, we review the ARIMA (p, d, q), the EWMA and the DLM (dynamic linear moodelling) procedures in brief in order to accomdate the ac(autocorrelation) structure of data .We consider the recursive estimation and prediction algorithms based on Bayes and KF (Kalman filtering) techniques for correlated observations.We investigate the effect on the MSE of these procedures and compare them using generated data.
Linking adverbials are used to organize and bridge together extended stretches of discourse to make the text coherent. They are explicit indicators of the communicative function of the sentence and writers use them to let their readers follow what has already been said and to help them anticipate what is about to follow.
Linking adverbials include those relations of addition, enumeration, summation, apposition and so on. Through the use of these adverbials, the writer is able to organize and develop his ideas and help the reader follow him from one sentence to another. Thus, a linking adverbial is a semantic relation used to show the way in which what is to follow is systematically connected to what has gone before. So, they have anap
Equilibrium Moisture sorption isotherms are very important in drying and storage analysis. Experimental moisture equilibrium data (adsorption and desorption) of Aspirin were determined using the static method of saturated salt solutions and that by exposing the material to different conditions of temperatures and water activities. Three different temperatures (25, 30, 40Cº) and water activities in the range of (6.3- 83.6%) were used. The results showed that the equilibrium moisture content increased with the increase in water activity at any temperature and decreased with temperature increase at constant water activity. The water activity increases with increasing in temperature when moisture content was kept constant. The sorption isot
... Show MoreIn this paper, the concept of a neutrosophic KU-algebra is introduced and some related properties are investigated. Also, neutrosophic KU-ideals of a neutrosophic KU-algebra are studied and a few properties are obtained. Furthermore, a few results of neutrosophic KU-ideals of a neutrosophic KU-algebra under homomorphism are discussed
The bony pelvis has a major role in weight transmission to the lower limbs. The complexities of its geometric form, material properties, and loading conditions render it an open subject to biomechanical analysis.
The present study deals with area measurement, and three-dimensional finite element analysis of the hip bone to investigate magnitudes, load direction, and stress distribution under physiological loading conditions.
The surface areas of the auricular surface, lunate surface, and symphysis pubis were measured in (35) adult hip bones. A solid model was translated into ANSYS parametric design language to be analyzed by finite element analysis method under different loading conditions.
The surface
... Show MoreLignans are natural products widely distributed in the plant kingdom. They are composed of two β-β-linked phenylpropane (shikimate-derived biogenetic subunits). Although the backbone of lignans is composed of phenylpropane units, there is enormous diversity in the structure of lignans leading to different classes of lignans, such as γ-butyrolactone derivatives, eg. Hymatairesinol, bicyclooctadiene derivatives, e.g. pinoresinol, tetrahydrofuran derivatives e.g.lariciresinol, di-arylbutandiol derivatives, e.g. secoisolariciresinol. Introduction of a further carbon –carbon linkage leads to a class of lignans collectively known as cyclolignans such as tetrahydro-naphthalene derivatives, for example podophyllotoxin. Lignans ha
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