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     

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].     

Recognition of the Finite Simple Groups F 4(2m) by Spectrum

The spectrum of a finite group is the set of its element orders. A finite group G is said to be recognizable by spectrum, if every finite group with the same spectrum as G is isomorphic to G. The purpose of the paper is to prove that for every natural m the finite simple Chevalley group F ₄(2 ^m ) is recognizable by spectrum.     

The Exact Hausdorff Measure Function of the Level Sets of Multi-parameter Symmetric Stable Process

In this paper, we investigate the Hausdorff measure for level sets of N-parameter Rd-valued stable processes, and develop a means of seeking the exact Hausdorff measure function for level sets of N-parameter Rd-valued stable processes. We show that the exact Hausdorff measure function of level sets of N-parameter Rd-valued symmetric stable processes of index α is Ф（r） = r^N-d/α （log log l/r）d/α when Nα 〉 d. In addition, we obtain a sharp lower bound for the Hausdorff measure of level sets of general （N, d, α） strictly stable processes.