A Quantum Chemical Study on Recognition of Nitro-phenols by Calix[n]arenes

A PM3 calculation in vacuum of the inclusion complexation ofo-, m-, p-nitro-phenol with calix[n]arenes is performedsuccessfully. The pathways for inclusion process are describedand the most probable structures of the 1:1 complex are soughtthrough a potential energy scan. The energy differences betweenthe inclusion complexes and the hosts, by calculation, show thatthe most stable complexation is calix[4]-p-nitro phenol andcalix[6]-m-nitro phenol.     

Pressure and temperature dependence of the gas‐transport properties of dense poly[2,6‐toluene‐2,2‐bis(3,4‐dicarboxylphenyl)hexafluoropropane diimide] membranes

The gas‐transport properties of poly[2,6‐toluene‐2,2‐bis(3,4‐dicarboxylphenyl)hexafluoropropane diimide] (6FDA‐2,6‐DAT) have been investigated. The sorption behavior of dense 6FDA‐2,6‐DAT membranes is well described by the dual‐mode sorption model and has certain relationships with the critical temperatures of the penetrants. The solubility coefficient decreases with an increase in either the pressure or temperature. The temperature dependence of the diffusivity coefficient increases with an increase in the penetrant size, as the order of the activation energy for the diffusion jump is CH₄ > N₂ > O₂ > CO₂. Also, the average diffusion coefficient increases with increasing pressure for all the gases tested. As a combined contribution from sorption and diffusion, permeability decreases with increases in the pressure and the kinetic diameter of the penetrant molecules. Even up to 32.7 atm, no plasticization phenomenon can be observed on flat dense 6FDA‐2,6‐DAT membranes from their permeability–pressure curves. However, just as for other gases, the absolute value of the heat of sorption of CO₂ decreases with increasing pressure at a low‐pressure range, but the trend changes when the feed pressure is greater than 10 atm. This implies that CO₂‐induced plasticization may occur and reduce the positive enthalpy required to create a site into which a penetrant can be sorbed. Therefore, a better diagnosis of the inherent threshold pressure for the plasticization of a glassy polymer membrane may involve examining the absolute value of the heat of sorption as a function of pressure and identifying the turning point at which the gradient of the absolute value of the heat of sorption against pressure turns from a negative value to a positive one. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 354–364, 2004     

非均匀加宽单模激光器的最佳透射率

给出四能级系统非均匀加宽单模激光器最佳透射率的表达式和分布曲线,并与均匀加宽单模激光器最佳透射率进行了比较.叙述了非均匀加宽单模激光器的特点.     

多孔介质BISQ模型中的慢纵波

着重研究了多孔介质BISQ模型中慢纵波的基本特性.给出了BISQ模型下慢纵波速度 和衰减的低频近似公式.与Biot理论对比，BISQ模型中慢纵波的衰减随频率降低急剧增大， 且随喷射流长度的减小而增加；相速度随喷射流长度的减小而增加，其低频极限值不是零； 孔隙流体位移与固相骨架位移之比的幅值随喷射流长度的增加而减小，其相位特点与Biot模 型预测的不同；在流体与孔隙介质的边界上可产生更大的渗流.为对比，同时也给出快纵波 的行为.依据BISQ模型可推断：非黏滞流体饱和孔隙介质中不存在喷射流机理；BISQ模型中 关键词： 多孔介质 喷射流 慢纵波 动力协调     

Study on the in—plane electrical resistivity and thermoelectric power in single crystals of La2—xBaxCuO4

The in-plane electrical resistivity and thermoelectric power have been measured on single crystals of La_2-xBa_xCuO₄ at around x=0.125. The room temperature resistivity and thermopower have their maximum values at x=0.125, indicating that the carrier concentration is the minimum and the carriers are most strongly localized at x=0.125. The observed semiconductor-like behaviour can be well described by the weak-localized quasi-two-dimensional state. The steep rise in electric resistivity of the sample at x=0.125 below 70K is attributed to the formation of static stripe-order of holes and spins, which are pinned by the low-temperature tetragonal (LTT) structure, as discovered in La_1.48Nd_0.4Sr_0.12CuO₄. The temperature dependence of electric resistivity below 70K is still well described by the formula ρ∝ lnT. A definite change in the slope of thermopower is observed at the low-temperature orthorhombic-LTT structural phase transition temperature. The origin of the 1/8 anomaly is discussed in the text.     

The perturbation bounds for the solution of weighted kronecker product linear systems using thew-weighted drazin inverse

The classical perturbation theory is extended to the weighted Kronecker product linear systems W(A? B)Wx =h. Upper bounds are derived for the normwise condition number.     

Reflection of Surface Plasmon Polaritons by a Corner Reflector of Negative Index Materials

A novel type of corner reflector for the reflection of surface plasmon polariton (SPP) is proposed. The reflector consists of two layers of compensatory media whose permittivity and permeability take opposite signs to that of the corresponding layer of the SP waveguide. By rigorously solving Maxwell's equations, the reflected SPP is proved to exist. The transverse wave vector of the reflected SPP is always antiparallel to that of the incident SPP and no phase retardation is introduced.     

The Level-split of the Two-level Entangled Atom in an Optical Field

The behavior of a two-level entangled atom in an optical field with circular polarization is studied in this paper. The interaction of an optical field and one of the entangled atoms is analyzed in detail. A general solution of the SchrAo¨Gdinger equation about the motion of the entangled atom is obtained. The properties of the action are dependent on the initial state of the atom. By detecting the entangled atom out of the field, we can obtain the state of the other atom moving in the field. It is shown that the state of the atom out of the field will influence the energies of the split-levels of the atom in the field.     

Facile preparation of new unsymmetrical curcumin derivatives by solid-phase synthesis strategy

Seventeen unsymmetrical curcumin derivatives were synthesized in good yield and purity by a facile solid phase synthesis strategy.     

Periodic solutions for a Lotka–Volterra mutualism system with several delays

In the present paper, a Lotka–Volterra type mutualism system with several delays is studied. Some new and interesting sufficient conditions are obtained for the global existence of positive periodic solutions of the mutualism system. Our method is based on Mawhin’s coincidence degree and novel estimation techniques for the a priori bounds of unknown solutions. Our results are different from the existing ones such as those in of Yang et al. [F. Yang, D. Jiang, A. Ying, Existence of positive solution of multidelays facultative mutualism system, J. Eng. Math. 3 (2002) 64–68] and Chen et al. [F. Chen, J. Shi, X. Chen, Periodicity in a Lotka–Volterra facultative mutualism system with several delays, J. Eng. Math. 21 (3) (2004) 403–409].