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1.
New thiazole derivatives were synthesized and fully characterized, then coordinated with PtCl4 salt. Also, the newly synthesized Pt(IV) complexes were investigated analytically (elemental and thermogravimetric analyses), spectrally (infrared, UV–visible, mass, 1H NMR, 13C NMR, X‐ray diffraction) as well as theoretically (kinetics, modeling and docking). The data extracted led to the establishment of the best chemical and structural forms. Octahedral geometry was the only formula proposed for all complexes, which is favorable for d6 systems. The molecular ion peaks from mass spectral analysis coincide with all analytical data, confirming the molecular formula proposed. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) allowed discrimination of features between crystalline particles and other amorphous morphology. By applying Gaussian09 as well as HyperChem 8.2 programs, the best structural forms were obtained, as well as computed significant parameters. Computed parameters such as softness, hardness, surface area and reactivity led us towards application in two opposing pathways: tumor inhibition and oxidation activation. The catalytic oxidation for CO was conducted over PtO2, which was yielded from calcination of the most reactive complex. The success of catalytic role for synthesized PtO2 was due to its particulate size and surface morphology, which were estimated from XRD patterns and SEM images, respectively. The antitumor activity was tested versus HCT‐116 and HepG‐2 cell lines. Mild toxicity was recorded for two of the derivatives and their corresponding complexes. This degree of toxicity is more favorable in most cases, due to exclusion of serious side effects, which is coherently attached with known antitumor drugs. 相似文献
2.
3.
Many problems arising in practical applications lead to linear programming problems. Hence, they are fundamentally tractable. Recent interior-point methods can exploit problem structure to solve such problems very efficiently. Infeasible interior-point predictor–corrector methods using floating-point arithmetic sometimes compute an approximate solution with duality gap less than a given tolerance even when the problem may not have a solution. We present an efficient verification method for solving linear programming problems which computes a guaranteed enclosure of the optimal solution and which verifies the existence of the solution within the computed interval. 相似文献
4.
Fusion-evaporation cross-sections for the α-induced reactions upon197Au,193Ir,191Ir,185Re,181Ta,121Sb and69Ga nuclei at bombarding energies near the Coulomb barrier have been measured by off-line observation of the γ-rays emitted
in the radioactive decay of the residual nuclei using stacked foil technique. The total fusion cross-section for the systems
have been compared with simple statistical model calculations using the code ALICE/91 as well as with the coupled channel
calculations that include the β2 and ν4 slatic deformations and dynamic couplings of the vibrational/rotational states of the target and the projet tile using the
code CCDEF. 相似文献
5.
Bahattin Gümgüm Nermin Biricik Feyyaz Durap Ismail Özdemir Nevin Gürbüz Wee Han Ang Paul J. Dyson 《应用有机金属化学》2007,21(8):711-715
Palladium(II) complexes with N,N‐bis(diphenylphosphino)aniline ligands catalyse the Heck reaction between styrene and aryl bromides, affording stilbenes in good yield. The structures of two of the complexes used as pre‐catalysts have been determined by single‐crystal X‐ray diffraction. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
6.
M. Ismail A. Farraga H. A. Abdusalam Th. El-Sherbini 《International Journal of Theoretical Physics》2004,43(1):111-125
The scattering of electrons by atomic copper has been studied using Born approximation and the concept of the generalized oscillator strength (GOS). Differential and total cross-sections for the excitation of the 3d10 4p2 P state are calculated at incident energies of 100 eV and are compared with other available experimental and theoretical data. The agreement between our calculation for the differential cross-section and the available experimental results is fairly good at the forward angles, while the agreement at large angles is poor. The calculated total cross-sections are compared with the experimental data and those predicted by several theories. It is found that our calculation for the total cross-sections are in a good agreement with the close coupling calculation of Msezane and Henry (1986a, Physical Review A
33, 1631) for incident energies greater than 20 eV. The integrated cross-section measurements of Ismail and Teubner (1995, Journal of Physics B: Atomic, Molecular and Optical Physics
28, 4164) are in good agreement with the present calculation. 相似文献
7.
Raed Ali Al-Khasawneh Fudziah Ismail Mohamed Suleiman 《Applied mathematics and computation》2007,190(2):1803-1814
In this paper, third-order 3-stage diagonally implicit Runge–Kutta–Nystrom method embedded in fourth-order 4-stage for solving special second-order initial value problems is constructed. The method has the property of minimized local truncation error as well as the last row of the coefficient matrix is equal to the vector output. The stability of the method is investigated and a standard set of test problems are tested upon and comparisons on the numerical results are made when the same set of test problems are reduced to first-order system and solved using existing Runge–Kutta method. The results clearly shown the advantage and the efficiency of the new method. 相似文献
8.
İ. B. Özdemir 《Experiments in fluids》1997,22(4):271-280
This paper is concerned with an experimental investigation of the mixing inside the vortex ring formed by the gravity slumping
motion of a dense cloud in a less dense atmosphere. The dynamics of the spreading and instantaneous structures of the turbulent
flow were examined by visualization, single and multi-point measurements of velocity and concentration for two heavy gases,
carbondioxide (CO2) and dichlorodifluoromethane (CCl2F2), in a configuration in that heavy gas, initially trapped in a reservoir, was released with the rise of a shutter into calm
air of a sector-shaped dispersion channel.
Visualization of the cloud as a whole showed a spreading motion in which an advancing frontal structure was followed by a
stratified flow with a layer of dense fluid of higher velocities near the wall and, on top of it, a layer of dilute fluid
whose concentration is controlled by the mixing mechanisms within the head. During the course of spreading, there was always
a phase in which the head attained to a constant speed of advance, which occurred as 0.13 m/s for CO2 and 0.48 m/s for CCl2F2. It was interesting to observe for CO2 that the phase of constant speed took place in between two acceleration phases; the former was due to the initial slumping
of the cloud at the exit of the reservoir, and the latter was attributed to the collapse of the head on the transition to
the passive dispersion phase.
Instantaneous two-dimensional velocity field, measured with particle image velocimeter (PIV), showed that the cloud overran
the ambient air which caused the approaching dense fluid deflected away from the wall with significant vertical velocities
and downstream-moving separation, and the air trapped under the head resulted in the density inversion which introduced further
intricacy to the turbulent structure of the head. Instabilities at the upper free shear layer due to density and velocity
discontinuity rolled into periodic array of vortices which engulfed a considerable amount of air as they were convected backwards
over the head, but the incorporation of heavy and light fluids was completed with the appearance of microscales after the
collapse on the stratified layer. Analyses of the cloud head at different downstream locations also revealed that its size
remained unchanged when the speed of advance was constant, allowing the rate of change of the cloud volume being modeled with
the rate of spreading.
Contours of concentration obtained from digitized PIV pictures confirmed the kinematic features of the mixing revealed by
the velocity field and that the concentration values within the large structures were higher than those at the upper part
of the stratified layer. Motivated by the experimental observations, a semi-empirical analysis was presented to describe the
results and based on local values of the Richardson and Reynolds numbers.
Received: 4 October 1995 / Accepted: 4 July 1996 相似文献
9.
Efficient synthesis of ferrocenylenones using a Friedel-Crafts acylation reaction is described. Acryloyl, methacryloyl, crotonoyl, cinnamoyl, and β-methylcrotonoyl chlorides react with ferrocene in the presence of a Lewis acid (EtAlCl2 or EtAlCl2-Me3Al) to give the corresponding ferrocenylenones (acryloyl, methacryloyl, crotonoyl, cinnamoyl, and methylcrotonoylferrocenes) in good isolated yields. Besides ferrocenylenones, chloroactylferrocene is also synthesised by this method. 相似文献
10.
Finite chains of a two-state random Potts spin model with periodic boundary conditions are studied within Glauber dynamics. The spin exchange is assumed random with frustration between ferro and antiferromagnetic values (±J). Time-dependent fluctuations are induced by periodic temperature oscillations. Master type differential equations for spin correlation functions are solved within linear response theory. The spectrum of relaxation times are calculated at different temperatures. The ±J Potts glass chains undergo a zero temperature phase transition. The barriers against inversion of the spin chain take only two values; 0 and 2|J|. The temperature behaviour of specific heat is characterized by rounded peaks. The frequency dependence displays two plateaus for the real part of specific heat and two corresponding peaks for the imaginary part. The dynamic specific heat is not affected by the longest relaxing mode like susceptibility. The time separation of the modes is demonstrated by the Cole-Cole plots. 相似文献