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101.
Alpeshkumar K. Malde Santosh A. Khedkar Evans C. Coutinho 《Journal of Physical Organic Chemistry》2007,20(2):151-160
Modification of peptides to produce peptidomimetics is of great interest, with the aim of designing potent, selective, and metabolically stable analogs having certain conformational properties. Organoboranes have been reported in the literature with a wide range of therapeutic applications. One of the therapeutically important class of molecules is amine‐carboxyboranes derived from amino acids by replacement of the Cα atom of an amino acid/peptide by boron. The conformational preferences of these peptides, with respect to backbone ω, ?, and ψ torsion angles, have been investigated by theoretical calculations. The amide bond in these molecules has the same geometry in the ground and transition states as the natural peptides. However, the boron isosteres of glycine and alanine peptides are less structured than their natural derivatives, but are distinguished by structures with a positive value for the ? angle, which is normally disfavored for natural peptides. This property could be used to build peptides with a geometry not usually seen in natural peptides. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
102.
1846年,刘维尔在自己主办的杂志“纯粹与应用数学杂志”首次出版了伽罗瓦的数学研究,这对于伽罗瓦理论的传播与发展是具有决定意义的事件.伽罗瓦去世14年后,刘维尔发表伽罗瓦数学研究的原因是什么?采用数学历史文献分析法,得出四个重要原因:①伽罗瓦的朋友和弟弟的请求;②力图弥补科学院曾经造成的不公正;③刘维尔积极扶持年轻人的高贵品质使然;④刘维尔与利布里学术论战的促进. 相似文献
103.
M. Iuga G. Steinle-Neumann J. Meinhardt 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,58(2):127-133
Athermal elasticity for some ceramic materials (α-Al2O3,
SiC (α and β phases), TiO2 (rutile and anatase),
hexagonal AlN and TiB2, cubic BN and CaF2, and monoclinic
ZrO2) have been investigated via density functional theory.
Energy-volume equation-of-state computations to obtain the zero pressure
equilibrium volume and bulk modulus as well as computations of the full
elastic constant tensor of these ceramics at the experimental zero pressure
volume have been performed. The present results for the single crystal
elasticity are in good agreement with experiments both for the aggregate
properties (bulk and shear modulus) and the elastic anisotropy. In contrast,
a considerable discrepancy for the zero pressure bulk modulus of some
ceramics evaluated from the energy-volume fit to the computational zero
pressure volume has been observed. 相似文献
104.
Eiji Yanagida 《Journal of Dynamics and Differential Equations》2007,19(4):895-914
This paper is concerned with the irregular behavior of solutions for Fisher’s equation when initial data do not decay in a
regular way at the spatial infinity. In the one-dimensional case, we show the existence of a solution whose profile and average
speed are not convergent. In the higher-dimensional case, we show the existence of expanding fronts with arbitrarily prescribed
profiles. We also show the existence of irregularly expanding fronts whose profile varies in time. Proofs are based on some
estimate of the difference of two distinct solutions and a comparison technique.
Dedicated to Professor Pavol Brunovsky on his 70th birthday. 相似文献
105.
106.
Details are given of a new method allowing an exact calculation of the spontaneous magnetization in the corner as well as along the edge at an arbitrary distance of the corner for a rectangular planar Ising ferromagnet. 相似文献
107.
We show by general considerations that it is not possible to test violation of the existing versions of Bell’s inequality
in entangled neutral kaons system using experimentally accessible thin regenerators. We point out the loophole in the recent
argument (A Bramon and M Nowakowski, Phys. Rev. Lett.
83, 1 (1999)) that claimed such a test to be possible. 相似文献
108.
Lin Zhengyan 《数学年刊B辑(英文版)》1998,19(3):281-292
§1.IntroductionandResultsLet{Xn,n1}beasequenceofrandomvariableswithacommondistributionfunctionF(x)andletXn1Xn2…Xnnbetheor... 相似文献
109.
The difference in reactivity of the two modifications of InCl in solid state reactions with SnCl2 is discussed. It is explained on the basis of semi‐empirical and ab initio calculations giving the density of states diagrams of InCl and the energies of possible disproportionation reactions. Their general features are discussed on the basis of a simple bonding picture for open‐packed structures involving inert pair elements. A detailed analysis of the DOS distribution allows to pinpoint the observed redox instability to a specific structural feature of α‐InCl. 相似文献
110.
A finite volume solver for the 2D depth‐integrated harmonic hyperbolic formulation of the mild‐slope equation for wave propagation is presented and discussed. The solver is implemented on unstructured triangular meshes and the solution methodology is based upon a Godunov‐type second‐order finite volume scheme, whereby the numerical fluxes are computed using Roe's flux function. The eigensystem of the mild‐slope equations is derived and used for the construction of Roe's matrix. A formulation that updates the unknown variables in time implicitly is presented, which produces a more accurate and reliable scheme than hitherto available. Boundary conditions for different types of boundaries are also derived. The agreement of the computed results with analytical results for a range of wave propagation/transformation problems is very good, and the model is found to be virtually paraxiality‐free. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献