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排序方式: 共有400条查询结果,搜索用时 93 毫秒
91.
92.
Using hydrodynamical model of the two-electron-temperatere plasma, the analytical investigation of parametric instability of electron-acoustic wave has been made. It is found that the growth rate decreases with increasing concentration ratio of the hot to the total electrons nh0/n0. The growth rate is found to be more for 相似文献
93.
Liu S Ruspic C Mukhopadhyay P Chakrabarti S Zavalij PY Isaacs L 《Journal of the American Chemical Society》2005,127(45):15959-15967
We determined the values of Ka for a wide range of host-guest complexes of cucurbit[n]uril (CB[n]), where n = 6-8, using 1H NMR competition experiments referenced to absolute binding constants measured by UV/vis titration. We find that the larger homologues--CB[7] and CB[8]--individually maintain the size, shape, and functional group selectivity that typifies the recognition behavior of CB[6]. The cavity of CB[7] is found to effectively host trimethylsilyl groups. Remarkably, the values of Ka for the interaction of CB[7] with adamantane derivatives 22-24 exceeds 10(12) M(-1)! The high levels of selectivity observed for each CB[n] individually is also observed for the CB[n] family collectively. That is, the selectivities of CB[6], CB[7], and CB[8] toward a common guest can be remarkably large. For example, guests 1, 3, and 11 prefer CB[8] relative to CB[7] by factors greater than 10(7), 10(6), and 3000, respectively. Conversely, guests 23 and 24 prefer CB[7] relative to CB[8] by factors greater than 5100 and 990, respectively. The high levels of selectivity observed individually and collectively for the CB[n] family renders them prime components for the preparation of functional biomimetic self-sorting systems. 相似文献
94.
Lagona J Mukhopadhyay P Chakrabarti S Isaacs L 《Angewandte Chemie (International ed. in English)》2005,44(31):4844-4870
In 1981, the macrocyclic methylene-bridged glycoluril hexamer (CB[6]) was dubbed "cucurbituril" by Mock and co-workers because of its resemblance to the most prominent member of the cucurbitaceae family of plants--the pumpkin. In the intervening years, the fundamental binding properties of CB[6]-high affinity, highly selective, and constrictive binding interactions--have been delineated by the pioneering work of the research groups of Mock, Kim, and Buschmann, and has led to their applications in waste-water remediation, as artificial enzymes, and as molecular switches. More recently, the cucurbit[n]uril family has grown to include homologues (CB[5]-CB[10]), derivatives, congeners, and analogues whose sizes span and exceed the range available with the alpha-, beta-, and gamma-cyclodextrins. Their shapes, solubility, and chemical functionality may now be tailored by synthetic chemistry to play a central role in molecular recognition, self-assembly, and nanotechnology. This Review focuses on the synthesis, recognition properties, and applications of these unique macrocycles. 相似文献
95.
J.P. Guha 《Journal of solid state chemistry》1980,34(1):17-22
The subsolidus phase equilibrium relations in the system BaO.TiO2.Al2O3 have been investigated using conventional solid state reaction techniques and X-ray powder diffraction. The existence of three known ternary compounds, BaTi5Al2O14, BaTiAl6O12, and Ba3TiAl10O20, was confirmed and their stability relations were studied. Various tie-lines existing between the ternary compounds and the binary titanates and aluminates of barium were established and a subsolidus phase diagram showing the phase assemblages compatible at 1200°C is presented. 相似文献
96.
Precise measurements of the electrical conductances of solutions of potassium thiocyanate (KCNS), ammonium thiocyanate (NH4CNS), sodium nitrate (NaNO3) and ammonium nitrate (NH4NO3) in 2-ethoxyethanol (EE) at temperatures 35, 40, 45 and 50,∘C are reported. The conductance data have been analyzed by the 1978 Fuoss conductance equation. A thermodynamic analysis of the ionic association processes has also been made and the Coulombic forces are found to play a major role in the association processes. The ionic contributions to the limiting equivalent conductances have been determined using the reference electrolyte method. Strong association was found for all these electrolytes in this solvent medium. The cations are found to be substantially solvated in 2-ethoxyethanol, whereas the anions appear to have only weak interaction with the solvent molecules. 相似文献
97.
98.
Fujitani H Tanida Y Ito M Jayachandran G Snow CD Shirts MR Sorin EJ Pande VS 《The Journal of chemical physics》2005,123(8):084108
Direct calculations of the absolute free energies of binding for eight ligands to FKBP protein were performed using the Fujitsu BioServer massively parallel computer. Using the latest version of the general assisted model building with energy refinement (AMBER) force field for ligand model parameters and the Bennett acceptance ratio for computing free-energy differences, we obtained an excellent linear fit between the calculated and experimental binding free energies. The rms error from a linear fit is 0.4 kcal/mol for eight ligand complexes. In comparison with a previous study of the binding energies of these same eight ligand complexes, these results suggest that the use of improved model parameters can lead to more predictive binding estimates, and that these estimates can be obtained with significantly less computer time than previously thought. These findings make such direct methods more attractive for use in rational drug design. 相似文献
99.
100.
In this paper, a qualocation method for the one-dimensional Burgers’ equation is proposed. A semidiscrete scheme along with optimal error estimates is discussed. Results of a numerical experiment performed support the theoretical results. 相似文献