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排序方式: 共有233条查询结果,搜索用时 15 毫秒
31.
Mounir Bennoune Mohammed Lemou Luc Mieussens 《Journal of computational physics》2008,227(8):3781-3803
In this paper, we develop a numerical method to solve Boltzmann like equations of kinetic theory which is able to capture the compressible Navier–Stokes dynamics at small Knudsen numbers. Our approach is based on the micro/macro decomposition technique, which applies to general collision operators. This decomposition is performed in all the phase space and leads to an equivalent formulation of the Boltzmann (or BGK) equation that couples a kinetic equation with macroscopic ones. This new formulation is then discretized with a semi-implicit time scheme combined with a staggered grid space discretization. Finally, several numerical tests are presented in order to illustrate the efficiency of our approach. Incidentally, we also introduce in this paper a modification of a standard splitting method that allows to preserve the compressible Navier–Stokes asymptotics in the case of the simplified BGK model. Up to our knowledge, this property is not known for general collision operators. 相似文献
32.
Mustafa A. S. Gouda Mounir A. I. Salem Naglaa F. H. Mahmoud 《Journal of heterocyclic chemistry》2020,57(11):3988-4006
Some poly functionalized heterocyclic-compounds containing pyridine-moieties were readily assembled by combining differently functionalized pyridopyrimidine-6-carbonitrile derivatives 1a,b with different electrophilic and nucleophilic reagents via short synthetic routes. The structures of the prepared derivatives were ascertained from their-spectral-and elemental analyses. Some of the synthesized compounds were tested as plausible antitumor agents. Most of those tested compounds likes 7 , 9 , 10 , 11a showed cytotoxic potencies against different tumor cell lines. In addition, the assessments for their antioxidant activities have also been done and compound 9 exhibited the highest antioxidant activity while compounds 7 and 10 showed moderate activities. Finally, molecular docking studies were carried out which favorably indicated a high support for the experimental-results. 相似文献
33.
Inside Back Cover: Control over Nanostructures and Associated Mesomorphic Properties of Doped Self‐Assembled Triarylamine Liquid Crystals (Chem. Eur. J. 5/2015) 下载免费PDF全文
34.
Adnane Aouidate Adib Ghaleb Mounir Ghamali Samir Chtita Abdellah Ousaa M’barek Choukrad Abdelouahid Sbai Mohammed Bouachrine Tahar Lakhlifi 《Chemical Papers》2018,72(11):2833-2847
Ca2+/calmodulin-dependent protein kinase II (CAMKIIδ) belongs to the serine/threonine kinase family, which is involved in a broad range of cellular events in cell survival and proliferation as well as a number of other signal transduction pathways. Thus, it is regarded a promising target for treatment of cancers. In the present paper, a three-dimensional quantitative structure–activity relationship and molecular docking were applied to investigate a series of new CAMKIIδ inhibitors of pyrazolopyrimidine derivatives. The determination coefficient (R2) and leave-one-out cross-validation coefficient (Q2) of CoMSIA model are 0.676 and 0.956, respectively. The predictive ability of this model was evaluated by the external validation using a test set of eight compounds with a predicted determination coefficient \(R^{ 2}_{\text{test}}\) of 0.80, besides the mean absolute error of the test set was 0.328 log units. Docking results are in concordance with CoMSIA contour maps, gave the information for interactive mode exploration. Based on those satisfactory results, newly designed molecules were predicted with highly potent CAMKIIδ inhibitory activity, additionally, they have showed promising results in the preliminary in silico ADMET evaluations. This study could expand our understanding of pyrazolopyrimidine derivatives as inhibitors of CAMKIIδ and would be of great help in lead optimization for early drug discovery of highly potent CAMKIIδ inhibitors. 相似文献
35.
Influence of the layer parameters on the performances of the CdTe solar cells is analyzed by SCAPS-1D. The ZnO:Al film shows a high efficiency than SnO2:F. Moreover, the thinner window layer and lower defect density of CdS films are the factor in the enhancement of the short-circuit current density. As well, to increase the open-circuit voltage, the responsible factors are low defect density of the absorbing layer CdTe and high metal work function. For the low cost of cell production, ultrathin film CdTe cells are used with a back surface field (BSF) between CdTe and back contact, such as PbTe. Further, the simulation results show that the conversion efficiency of 19.28% can be obtained for the cell with 1-μm-thick CdTe, 0.1-μm-thick PbTe and 30-nm-thick CdS. 相似文献
36.
Rui Xia Zhaofu Fei Nikita Drigo Felix D. Bobbink Zhangjun Huang Rokas Jasinas Marius Franckevi
ius Vidmantas Gulbinas Mounir Mensi Xiaodong Fang Cristina Roldn‐Carmona Mohammad Khaja Nazeeruddin Paul J. Dyson 《Advanced functional materials》2019,29(22)
Recent years have witnessed considerable progress in the development of solar cells based on lead halide perovskite materials. However, their intrinsic instability remains a limitation. In this context, the interplay between the thermal degradation and the hydrophobicity of perovskite materials is investigated. To this end, the salt 1‐(4‐ethenylbenzyl)‐3‐(3,3,4,4,5,5,6,6,7,7,8,8,8‐tridecafluorooctylimidazolium iodide (ETI), is employed as an additive in hybrid perovskites, endowing the photoactive materials with high thermal stability and hydrophobicity. The ETI additive inhibits methylammonium (MA) permeation in methylammonium lead triiodide (MAPbI3) occurring due to intrinsic thermal degradation, by inhibiting out‐diffusion of the MA+ cation, preserving the pristine material and preventing decomposition. With this simple approach, high efficiency solar cells based on the unstable MAPbI3 perovskite are markedly stabilized under maximum power point tracking, leading to greater than twice the preserved efficiency after 700 h of continuous light illumination and heating (60 °C). These results suggest a strategy to tackle the intrinsic thermal decomposition of MAI, an essential component in all state‐of‐the‐art perovskite compositions. 相似文献
37.
Lorena Anghel Mounir Benabdenbi Alberto Bosio Marcello Traiola Elena Ioana Vatajelu 《Journal of Electronic Testing》2018,34(4):375-387
This paper presents an overview of test and reliability approaches for approximate computing architectures. We focus on how specific methods for test and reliability can be used to improve the characteristics of approximate computing in terms of power consumption, area, life expectancy and precision. This paper does not address specification and design of approximate hardware/software/algorithms, but provides an in-depth knowledge on how the reliability and test related techniques can be efficiently used to maximize the benefits of approximate computing. 相似文献
38.
Ferrer M Gutiérrez A Mounir M Rossell O Ruiz E Rang A Engeser M 《Inorganic chemistry》2007,46(8):3395-3406
The self-assembly reactions between the fluorinated ditopic ligand 1,4-bis(4-pyridyl)tetrafluorobenzene (A) and different nitrogen-protected palladium(II) and platinum(II) complexes have been investigated. While dynamic equilibria between molecular triangles and squares were observed when the diimine compounds 4,4'-R2bipy (bipy = 2,2'-bipyridine; R = H, Me, t-Bu) were employed as ancillary ligands, only square species were obtained from ethylenediamine (en) derivatives. Characterization of the obtained metallomacrocycles was accomplished by 1H and 19F NMR spectroscopy in combination with electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR). Molecular dynamics simulations (UFF) have been performed to interpret the influence of the fluorinated ring on the square/triangle relative stability. Density functional calculations using the GIAO method have been employed for the interpretation of the chemical shift assignments. The study of the ability of these compounds to act as hosts of electron-rich aromatic guests has shown that the palladium ethylenediamine square is capable of establishing this type of intermolecular interaction exclusively in aqueous media. The host-guest stoichiometry and association constants have been determinated by 1H NMR spectroscopy. 相似文献
39.
研究带惩罚和软容量约束的下界设施选址问题. 扩展Guha等(Guha S, Meyerson A, Munagala K. Hierarchical placement and network design problems [C]//Proceedings of Foundations of Computer Science, 2000: 892328, DOI: 10.1109/SFCS.2000.892328)和Karger等(Karger D R,Minkoff M. Building steiner trees with incomplete global knowledge [C]//Proceedings of Foundations of Computer Science, 2000: 892329, DOI: 10.1109/SFCS.2000.892329)的工作到带有惩罚的下界约束设施选址问题,提出了一个新的双标准近似算法,得到了同样的近似比ρ(1+α)/(1-α). 进一步考虑带惩罚和软容量约束的下界设施选址问题,得到了近似比为2ρ(1+α)/(1-α)的双标准近似算法. 相似文献
40.
Aïda Chérif Mounir Meddad Saâd Belkhiat Claude Richard Daniel Guyomar Adil Eddiai Abdelowahed Hajjaji 《Optical and Quantum Electronics》2014,46(1):117-131
The piezoelectric transformers reach densities of power more significant than their magnetic counterparts. However, one of the principal factors limiting the density of power is the acceptable maximum deformation by material constituting the transformer. The heating of the piezoelectric transformers is mainly of mechanical origin. This heating generates a degradation of the characteristics which in its turn generates an additional heating being able to lead to a phenomenon of thermal avalanche. In this work, two nonlinear methods [synchronized switch harvesting on inductor (SSHI) and SSHI-max] have been explored to improve the performance of the Rosen transformer basing on the tension generated by the secondary so as to increase the capacity of mechanic-electric conversion. The simulation results show that SSHI and SSHI-max techniques significantly increase the capacity of mechanic-electric conversion of inserts stuck on a vibrating structure and consequently, the power recovered in electric form. The comparative results of voltage gain, efficiency and the transmitted power of the transformer, before and after SSHI-max and SSHI control are given. These ones indicated that the two nonlinear techniques are promising as applications to improve the performances of the piezo-transformers. 相似文献