Theoretical studies on the influence of metallic cations on ring opening of propylene oxide catalyzed by metal-salen complexes

We studied the ring opening of propylene oxide (PO) by salen-M coordinated OH⁻ group [M = Al(III), Sc(III), Cr(III), Mn(III), Fe(III), Co(II), Co(III), Ni(II), Cu(II), Zn(II), Ru(III) and Rh(III)]. The results show that the ring-opening energy barriers for M(II) complexes are much lower than those with M(III) complexes in the gas phase, and the barriers correlate linearly with the negative charges on the OH⁻ group and the Fukui function condensed on the OH⁻ group. The nucleophilicity ordering in the gas phase can be rationalized by the ratio of formal positive charges/radius of M cations. Solvent effect greatly increases the barriers of M(II) complexes but slightly changes the results of M(III) ones, making the barriers similar. Analysis indicates that the reaction heats are linearly proportional to the reverse reaction barriers. The relationships established here can be used to estimate the ring-opening barriers and to screen epoxide ring-opening catalysts.     

无线传感器网络中移动sink节点的路径规划

在无线传感器网络中,大量感知数据汇集到sink节点的采集方法会导致sink节点附近的节点能量耗尽,造成能量空洞。针对该问题,利用移动的sink节点进行数据收集是一种解决方法,其中移动sink的路径规划成为一个重要的问题。提出了一个移动sink路径规划算法,将无线传感器中随机分布的节点划分为不同的子区域,寻找sink节点移动的最佳转向点,最终得到最优的移动路径,以实现无线传感器网络生命周期最大化。仿真实验表明,与现有方案相比,该算法能显著延长网络的生命周期。     

Morphology and microphase separation of star copolymers

Star copolymers have attracted significant interest due to their different characteristics compared with diblock copolymers, including higher critical micelle concentration, lower viscosity, unique spatial shape, or morphologies. Development of synthetic skills such as anionic polymerization and controlled radical polymerization have made it possible to make diverse architectures of polymers. Depending on the molecular architecture of the copolymer, numerous morphologies are possible, for instance, Archimedean tiling patterns and cylindrical microdomains at symmetric volume fraction for miktoarm star copolymers as well as asymmetric lamellar microdomains for star‐shaped copolymers, which have not been reported for linear block copolymers. In this review, we focus on morphologies and microphase separations of miktoarm (A_mB_n and ABC miktoarm) star copolymers and star‐shaped [(A‐b‐B)_n] copolymers with nonlinear architecture. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 1–21     

大口径光学元件装夹转运结构设计及分析

为了实现大口径光学元件的安全装夹、转运,通过光学元件开槽与不开槽两种装夹方式的分析,得出开槽夹紧转运方式将带来微裂纹、应力集中、成本高等缺陷,提出了利用摩擦力克服光学零件的重力和惯性力的低应力装夹转运方案。通过对光学元件低应力夹紧结构设计,并利用有限元分析方法,得到不开槽装夹方式下,光学元件的最大主应力为1.11 MPa,最大切应力为0.73 MPa,远低于光学元件破坏的强度极限,且受力均匀,无应力集中现象。     

Research on the identification performance of UHF RFID system considering the correlation of cascaded channel

The identification rate of UHF RFID system was restricted by multipath propagation effects.The system identification performance was studied considering the correlation coefficient between forward and reverse channels.Based on the generalized Rician fading channel model,the analytical expression of identification rate was derived under independent,full correlation and correlation cases.Compared with the existing analysis,the proposed uniform calculation formula of identification rate was for any correlation coefficient and kinds of channel conditions.The numerical computation and Monte-carlo simulations show that the influences of different correlation coefficients,channel conditions,sensitivity and distance on the identification rate.     

Metabolic profiles of dioscin in rats revealed by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry

Dioscin (DIS), one of the most abundant bioactive steroidal saponins in Dioscorea sp., is used as a complementary medicine to treat coronary disease and angina pectoris in China. Although the pharmacological activities and pharmacokinetics of DIS have been well demonstrated, information regarding the final metabolic fates is very limited. This study investigated the in vivo metabolic profiles of DIS after oral administration by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry method. The structures of the metabolites were identified and tentatively characterized by means of comparing the molecular mass, retention time and fragmentation pattern of the analytes with those of the parent compound. A total of eight metabolites, including seven phase I and one phase II metabolites, were detected and tentatively identified for the first time. Oxidation, deglycosylation and glucuronidation were found to be the major metabolic processes of the compound in rats. In addition, a possible metabolic pathway on the biotransformation of DIS in vivo was proposed. This study provides valuable and new information on the metabolism of DIS, which will be helpful for further understanding its mechanism of action. Copyright © 2015 John Wiley & Sons, Ltd.