Responsive mechanism of 2-(2'-hydroxyphenyl)benzoxazole-based two-photon fluorescent probes for zinc and hydroxide ions

Response theory is used to investigate one- and two-photon absorption(TPA) as well as the emission properties of a series of potential zinc ion and pH sensitive materials containing 2-(2’-hydroxyphenyl)benzoxazole(HPBO) end groups.Special emphasis is placed on the evolution of their optical properties upon combining with zinc ions or deprotonation.Our calculated results indicate that upon combining with zinc ions or deprotonation,these HPBO derivatives show drastic changes in their one-photon absorption(OPA),emission,and TPA properties.Moreover,the mechanisms of the probes are analyzed and found to be an intramolecular charge transfer.These compounds are thus proved to be excellent candidates for two-photon fluorescent zinc and pH probes.     

Low temperature high-pressure synthesis of LnNiO3 (Ln = Eu,Gd) in molten salts

We report a new low temperature method for the synthesis of LnNiO₃ (Ln = Eu, Gd) at 400 °C under 180 bar oxygen pressure with the flux method. Utilization of the LiCl/KCl flux allowed for a decrease of the reaction temperature from 1000 °C and resulted in the synthesis of pure phase compounds. These materials have been characterized by powder X-ray diffraction and thermogravimetric analysis. LnNiO₃ (Ln = Eu and Gd) compounds crystallize in the orthorhombic GdFeO₃-type perovskite structure (space group: Pbnm). Both materials decompose to Ln₂O₃ and NiO at 775 °C under a nitrogen atmosphere and undergo reduction to Ln₂O₃ and Ni metal (at 385 °C and 340 °C for Eu and Gd, respectively) under a hydrogen atmosphere (10% H₂/N₂). Attempts to prepare the first T′-type infinite layer compound with Ni²⁺, EuNiO₂, by low temperature reduction of EuNiO₃ were unsuccessful.     

Theoretical mechanisms of the superoxide radical anion catalyzed by the copper‐zinc superoxide dismutase

The disproportionation of superoxide radical anions catalyzed by copper‐zinc superoxide dismutase was investigated in detail using density functional theory. The structures of each stationary point and the transition states were located so that the reaction pathways were determined. The results indicate that the reactions proceed by two steps both for the oxidized process of superoxide radical anion and the reduced one. The rate for the determining step of the reaction (2) is in very good agreement with the experimental value. The solvation effect on the reaction was also discussed. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

DFT study of the structure and property of small organic hole‐transporting molecules

In this article, all calculations are performed at B3LYP/6‐31G** level. For each one of the molecule, including triphenylamine (TPA), N,N′‐diphenyl‐N,N′‐bis(3‐methyllphenyl)‐(1,1′‐biphenyl)‐4,4′‐diamine (TPD), biphenyl (Bp), and their derivatives (TPAs, TPDs, Bps, respectively), the geometry is optimized for both neutral and radical‐cation states. Their reorganization energy is then compared. It seems that it is the monomer, TPAs, and not the central biphenyl moiety that determines the properties of TPDs. However, this is contradictory of some previous results. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

Finite-time control of discrete-time systems with time-varying exogenous disturbance

This paper deals with some finite-time control problems for uncertain discrete-time linear systems subject to exogenous disturbance. Sufficient conditions are presented for finite-time stabilization via state feedback. These conditions can be reduced to feasibility problems involving linear matrix inequality (LMI). A detailed solving method is proposed for the restricted linear matrix inequalities. Finally, an example illustrates the proposed methodology.     

Impulsive synchronization for a chaotic system with channel time-delay

This paper discusses the synchronization of the chaotic system. Some new and less conservative sufficient conditions are established by impulsive control method with channel time-delay and different time-varying parameter uncertainties. An example and its simulations are finally included to visualize the effectiveness and feasibility of the method.     

2 ns-pulse, compact and reliable microchip lasers by Nd:YAG/Cr4+ YAG composite crystal

A compact diode-end-pumped passively Q-switched composite Nd:YAG/Cr⁴⁺:YAG laser was demonstrated in this paper. At the incident pump power of 11.8 W, the shortest pulse width of 2.05 ns was obtained, corresponding to average output power of 1.15 W and repetition rate of 17.1 kHz. The single-pulse energy and peak power were estimated to be 67.3 μJ and 32.8 kW, respectively.     

An explicit series solution of the squeezing flow between two infinite plates by means of the homotopy analysis method

In this paper, we investigated an axisymmetric Newtonian fluid squeezed between two parallel plates. The steady nonlinear governing equations are reduced to a single differential equation using integrability condition. Homotopy analysis method (HAM) is used to solve the nonlinear differential equation analytically. Numerical solutions indicate this method is satisfactory.     

Bombieri's Theorem in Short Intervals

Under the assumption of sixth power large sieve mean-value of Dirichlet L-function,we improve Bombieri's theorem in short intervals by virtue of the large sieve method and Heath-Brown's identity.     

基于交通量均分的城市道路网络定向研究

为减少城市交通拥挤,从交通量均分的角度出发,提出了综合反映道路网络局部和整体性质的k最优定向,并且利用奇度点配对的思想为定向问题设计了启发式算法。