Rheological Behavior for Mica-filled Polypropylene Composite Melts

The study on rheological properties of a series of mica-filled polypropylene (PP) composites was carried out. The influence of surface-treatment of mica particles on dynamic rheological behavior of the composites were dealt with. The viscosity (η) and dynamic modulus ( G‘ ) of the composite melts were higher than those of PP matrix, especially those for systems treated with silane, which was attributed to the interfacial adhesion enhancement. However, surface-treatment of mica by titanate resulted in lower η and G‘, as compared with the treatment by silane. The reason for this is believed to be the formation of the mono-molecular layer on the mica surface.     

A small molecule with osteogenesis-inducing activity in multipotent mesenchymal progenitor cells

Purmorphamine, which is a 2,6,9-trisubstituted purine compound, was discovered through cell-based high-throughput screening from a heterocycle combinatorial library. It differentiates multipotent mesenchymal progenitor cells into an osteoblast lineage. It will serve as a unique chemical tool to study the molecular mechanisms of osteogenesis of stem cells and bone development.     

热处理过程中聚酯长丝的形态变化

在自制的红外三因素处理机上~[1],用红外加热在定张力下对聚对苯二甲酸乙二酯(PET)成品长丝进行热处理(二次定型)。用X-光衍射(WAXS)、X-光小角散射(DAXS)、红外光谱(IR)和双折射方法,测定样品的热收缩、结晶度、晶粒尺寸和取向、非晶取向、长周期和链折叠带强度。所得形态参数的变化表明,处理温度在200℃以上时,张力不再阻碍链折叠。不同定张力样品的形态研究表明,存在阻碍链折叠的某个张力转折值。本文条件下,这个张力值为f_(critical)=0.066g/dtex 。张力大于此值,链折叠过程受阻。     

Large third-order nonlinear optical properties of C70 fullerene in the infrared regime

The nonlinear third-order optical susceptibility of C₇₀ in a toluene solution is measured for the first time by the method of degenerate four-wave mixing using 10 ns laser pulses at 1.06 m. The third-order susceptibility X _in ⁽³⁾ is 5.6×10^–12 esu for a C₇₀ toluene solution at a concentration of 0.476 g/l. The correspondent magnitude of the hyperpolarizability ₁₁₁₁ of the C₇₀ molecule is 1.2×10^–30 esu which is in a good agreement with the prediction given by the model of a free electron in a spherical box.     

Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants

The role of tunneling for two proton-transfer steps in the reactions catalyzed by triosephosphate isomerase (TIM) has been studied. One step is the rate-limiting proton transfer from Calpha in the substrate to Glu 165, and the other is an intrasubstrate proton transfer proposed for the isomerization of the enediolate intermediate. The latter, which is not important in the wild-type enzyme but is a useful model system because of its simplicity, has also been examined in the gas phase and in solution. Variational transition-state theory with semiclassical ground-state tunneling was used for the calculation with potential energy surface determined by an AM1 method specifically parametrized for the TIM system. The effect of tunneling on the reaction rate was found to be less than a factor of 10 at room temperature; the tunneling becomes more important at lower temperature, as expected. The imaginary frequency (barrier) mode and modes that have large contributions to the reaction path curvature are localized on the atoms in the active site, within 4 A of the substrate. This suggests that only a small number of atoms that are close to the substrate and their motions (e.g., donor-acceptor vibration) directly determine the magnitude of tunneling. Atoms that are farther away influence the effect of tunneling indirectly by modulating the energetics of the proton transfer. For the intramolecular proton transfer, tunneling was found to be most important in the gas phase, to be similar in the enzyme, and to be the smallest in water. The major reason for this trend is that the barrier frequency is substantially lower in solution than in the gas phase and enzyme; the broader solution barrier is caused by the strong electrostatic interaction between the highly charged solute and the polar solvent molecules. Analysis of isotope effects showed that the conventional Arrenhius parameters are more useful as experimental criteria for determining the magnitude of tunneling than the widely used Swain-Schaad exponent (SSE). For the primary SSE, although values larger than the transition-state theory limit (3.3) occur when tunneling is included, there is no clear relationship between the calculated magnitudes of tunneling and the SSE. Also, the temperature dependence of the primary SSE is rather complex; the value of SSE tends to decrease as the temperature is lowered (i.e., when tunneling becomes more significant). For the secondary SSE, the results suggest that it is more relevant for evaluating the "coupled motion" between the secondary hydrogen and the reaction coordinate than the magnitude of tunneling. Although tunneling makes a significant contribution to the rate of proton transfer, it appears not to be a major aspect of the catalysis by TIM at room temperature; i.e., the tunneling factor of 10 is "small" relative to the overall rate acceleration by 10(9). For the intramolecular proton transfer, the tunneling in the enzyme is larger by a factor of 5 than in solution.     

TM模场入射到金属光栅的表面增强喇曼散射计算分析

以纳米量级金属履带矩形光栅为模型,研究了表面增强喇曼散射的特性.针对TM模的入射光,采用严格的耦合波原理对金属表面的衍射场进行了分析,并用数值计算方法讨论了光栅深度、光栅占空比等参量对金属表面增强的影响以及增强因子随光栅深度的变化关系.结果显示：当入射光波长为700 nm、入射角度为10°、光栅周期p=600 nm、 光栅深度d=37.5 nm、占空比为1/3时,获得最大增强,增强因子G达104倍.     

五阶非线性下零色散附近的调制不稳定性

在同时考虑光纤损耗、高阶色散以及高阶非线性情况下,从广义非线性薛定谔方程出发,研究了零色散附近的调制不稳定性,分析了四阶色散和五阶非线性对增益谱的影响.结果表明：当光脉冲工作在零色散附近时,四阶色散对调制不稳定性起决定作用,它使反常色散区的增益谱变宽.在光纤正常色散区,正（负）五阶非线性使增益谱的谱宽和峰值增大（减小）;但在反常色散区,五阶非线性仅改变增益谱的峰值,几乎不影响谱宽.     

蓝绿光敏感的非水溶性光致聚合物特性研究

报导了一种新型蓝绿光敏感的非水溶性光致聚合物材料,这种材料以聚醋酸乙烯酯为成膜物,9-乙烯基咔唑(NVC),甲基丙烯酸2-苯氧乙脂(POEA)和双季戊四醇五丙烯酸酯为单体,Dye3和Dye4为光敏剂,邻氯代六芳基双咪唑(O-CL-HABI)为共引发剂.本材料能同时对蓝光和绿光敏感,用蓝光和绿光分别或同时对该材料曝光,可得到清晰图像.测得的两种衍射效率分别不低于80%.     

Enantioselective Hydrogenation of Endocyclic Enones:the Solution to a Historical Problem

The enantioselective hydrogenation of endocyclic enones has been a historical problem for homogeneous catalysis.We herein report an efficient method to reduce e...     

两类单负材料组成的一维半无限光子晶体反射谱

运用传输矩阵方法和Bloch定理计算了两类单负材料组成的一维半无限光子晶体反射谱,与有限多层结构通带中振荡的反射谱相比,半无限结构的反射谱曲线是光滑的,是有限周期结构反射谱振幅取平均的结果,可用来估计通带中的反射率.研究半无限结构的反射谱,有利于分析带隙的位置和宽度,结果表明,由两类单负材料组成的光子晶体中,不仅存在零有效位相带隙,还存在角度带隙,尤其发现高频处的Bragg带隙也是一个全方位带隙.