Strategies for measurements of pseudocontact shifts in protein NMR spectroscopy.

Paramagnetic metal ions bound to proteins generate a dipolar field that can be accurately probed by pseudocontact shifts (PCS) displayed by the protein's nuclear spins. PCS are highly useful for determining the coordinates of individual spins in the molecule and for rapid structure determinations of entire protein-protein and protein-ligand complexes. However, PCS measurements require reliable resonance assignments for the molecule in its paramagnetic state and in a diamagnetic reference state. This article discusses different approaches for pairwise resonance assignments, with emphasis on a strategy which exploits chemical exchange between the two states.     

The alternating basis algorithm for assignment problems

The purpose of this paper is to present a new primal extreme point algorithm for solving assignment problems which both circumvents and exploits degeneracy. The algorithm is based on the observation that the degeneracy difficulties of the simplex method result from the unnecessary inspection of alternative basis representations of the extreme points. This paper characterizes a subsetQ of all bases that are capable of leading to an optimal solution to the problem if one exists. Using this characterization, an extreme point algorithm is developed which considers only those bases inQ. Computational results disclose that the new algorithm is substantially more efficient than previously developed primal and primal-dual extreme point (simplex) methods for assignment problems.     

Infrared intensities of liquids XXV: Dielectric constants, molar polarizabilities and integrated intensities of liquid toluene at 25 °C between 4800 and 400 cm

The main purpose of this paper is to present accurate infrared integrated intensities of liquid toluene, C₆H₅CH₃, at 25 °C. Also presented are the decadic molar absorption coefficients, E_m, the real and imaginary dielectric constants, ε′ and ε″, and the real and imaginary molar polarizabilities, ^′_m and ^″_m. Integrated intensities were determined as C_j, the area under bands in the spectrum, for all bands between 4800 and 440 cm⁻¹. The contributions from the different bands were separated by fitting the spectrum with classical damped harmonic oscillator bands. The uncertainties in the integrated intensities of most bands are estimated to be 5–10%, with the uncertainties in very weak bands and in shoulders possibly up to 100%. The intensity that should be assigned to the fundamentals is more difficult to estimate due to Fermi resonance with overtone and combination bands, and a best estimate is given. The integrated intensities of the fundamental vibrations and the corresponding transition dipole moments are summarized and are compared with literature values for the gas.     

浅谈电动自行车电池

文中阐述了电池的充电技术及其与电动车各部件的关系、电池失效的原因和电池的更换,便于加深对电动自行车电池的了解和电池的正确使用。     

一种新的优化动态信道分配策略及建模分析

本文提出一种新的动态信道分配策略,称之为分级紧致的动态信道分配(CCDCA),所谓分级就是基于引入的"冷态"和"热态"的概念,将小区所处的状态分为冷态与热态;所谓紧致就是对处于不同状态的小区给出不同的紧致模型.该策略在对"热态"的处理过程中利用了"冷态"的先验信息,有机地结合了局部信息与整体信息,同时能保证小区间有较小的服务偏差,提高了整个系统的服务质量.文中还从理论上给出了冷、热态阈值的分析模型,计算出了模型的主要参数,该模型也可以用来分析系统性能.仿真结果证明该方案有较小的呼阻率和较高的频谱利用率,所提出的模型比较接近实际系统.     

冲击压缩下玻璃等脆性材料中失效波的研究进展

失效波的研究始于Rasorenov和Kanel发现K1 9玻璃样品后自由表面速度时程曲线上有反常再压缩信号。失效波是二十世纪九十年代冲击动力学研究领域的一个重要发现 ,它是指在一维平面应变冲击压缩下 ,在玻璃等脆性材料中由冲击波引起的一种独特的失效或破坏现象。较为系统地回顾近年来对失效波的研究工作 ,评述了研究现状、最新结果、发展趋势、研究方法和实验手段 ,对尚存的问题进行了分析讨论 ,并介绍了玻璃材料的基本特性。最后简单汇报了作者在这方面的研究工作和取得的阶段性结果。     

Shear and extensional rheology of entangled polymer melts: Similarities and differences

This work extends our previous understanding concerning the nonlinear responses of entangled polymer solutions and melts to large external deformation in both simple shear and uniaxial extension. Many similarities have recently been identified for both step strain and startup continuous deformation, including elastic yielding, i.e., chain disentanglement after cessation of shear or extension, and emergence of a yield point during startup deformation that involves a deformation rate in excess of the dominant molecular relaxation rate. At a sufficiently high constant Hencky rate, uniaxial extension of an entangled melt is known to produce window-glass-like rupture. The present study provides evidence against the speculation that chain entanglements tie up into "dead knots" in constant-rate extension because of the exponentially growing chain stretching with time. In particular, it is shown that even Instron-style tensile stretching, i.e., extending a specimen by applying a constant velocity on both ends, results in rupture. Yet, in the same rate range, the same entangled melt only yields in simple shear, and the resulting shear banding is clearly not a characteristic of rupture. Thus, we conclude that chain entanglements respond to simple shear in the manner of yielding whereas uniaxial extension is rather effective in causing some entanglements to lock up, making it impossible for the entanglement network to yield at high rates.     

基于失效情景的应急设施选址问题

非常规突发事件巨大的破坏力以及发生时间、地点和规模的不确定性,使应急系统内设施有可能被破坏而失效,因此选址时必须考虑设施失效情景的发生.给出以最大限度覆盖用户需求为目标,基于失效设施数目具有不确定性情景的设施选址双层随机规划模型;通过计算模型上下界,给出减小规模的等价模型,降低了双层规划求解难度;最后实验验证了模型的合理性,并给出新增选址方案.     

An Investigation into the Migration of Segments in Crosslinked Fluorinated Polyimide Adhesive

Crosslinked fluorinated polyimides (CFPI) were successfully synthesized to study and explore the effect of cross-linkage on the migration of fluorinated segments and on the adhesion strength. Characterization by dynamic thermomechanical analysis (DMA) and thermo gravimetric analysis (TGA) confirmed good thermal properties of CFPI. X-ray photoelectron spectroscopy (XPS) results showed that the ratio of fluorinated component (6FDA-ODA) concentration of the surface to the bulk decreased with the crosslink density. The water contact angle of CFPI was lower than that of non-crosslinked fluorinated polyimide, indicating that the migration of fluorinated groups to the surface was reduced by the presence of cross-linkage. Therefore, CFPI, with no fluorine segregation on the surface, exhibited excellent wetting of adherent surfaces and adhesion strength, which was proved by lap shear strength (LSS) measurements and scanning electron microscopy.     

An Ant Colony Optimisation algorithm for solving the asymmetric traffic assignment problem

In this paper we propose an Ant Colony Optimisation (ACO) algorithm for defining the signal settings on urban networks following a local approach. This consists in optimising the signal settings of each intersection of an urban network as a function only of traffic flows at the accesses to the same intersection, taking account of the effects of signal settings on costs and on user route choices. This problem, also known as Local Optimisation of Signal Settings (LOSS), has been widely studied in the literature and can be formulated as an asymmetric assignment problem. The proposed ACO algorithm is based on two kinds of behaviour of artificial ants which allow the LOSS problem to be solved: traditional behaviour based on the response to pheromones for simulating user route choice, and innovative behaviour based on the pressure of an ant stream for solving the signal setting definition problem. Our results on real-scale networks show that the proposed approach allows the solution to be obtained in less time but with the same accuracy as in traditional MSA (Method of Successive Averages) approaches.