Anionic polymerization of star-shaped nylon 6 with a trifunctional initiator

The anionic polymerization of ?-caprolactam (CLM) has been shown to proceed at high reaction rate when catalyzed by metallic lactamates and initiated by acyllactams. The role of initiator and catalyst concentration on the process of ?-caprolactam anionic polymerization has been explored, with the aim of selecting the most suitable experimental conditions for reaction injection molding (RIM). The overall polymerization rates and physical properties for reaction injection molding of star-shaped nylon 6 homopolymer have been studied by the quasi-adiabatic process. In order to model the actual rapid molding conditions, time vs. temperature reaction profiles were measured, and the relative rates of polymerization subsequently determined from these data.     

Cauchy-Born Rule and the Stability of Crystalline Solids： Dynamic Problems

We study continuum and atomistic models for the elastodynamics of crystalline solids at zerotemperature.We establish sharp criterion for the regime of validity of the nonlinear elastic wave equationsderived from the well-known Cauchy-Born rule.     

Trace element concentrations from São Francisco River - PR analyzed with PIXE technique

Summary Kulcsszavak (angolul, ha nem azonos az elozovel)     

Allocating unfunded liability in pension valuation under uncertainty

This paper studied the cost allocation for the unfunded liability in a defined benefit pension scheme incorporating the stochastic phenomenon of its returns. In the recent literature represented by Cairns and Parker [Insurance: Mathematics and Economics 21 (1997) 43], Haberman [Insurance: Mathematics and Economics 11 (1992) 179; Insurance: Mathematics and Economics 13 (1993) 45; Insurance: Mathematics and Economics 14 (1994) 219; Insurance: Mathematics and Economics 14 (1997) 127], Owadally and Haberman [North American Actuarial Journal 3 (1999) 105], the fund level is modeled based on the plan dynamics and the returns are generated through several stochastic processes to reflect the current realistic economic perspective to see how the contribution changed as the cost allocation period increased. In this study, we generalize the previous constant value assumption in cost amortization by modeling the returns and valuation rates simultaneously. Taylor series expansion is employed to approximate the unconditional and conditional moments of the plan contribution and fund level. Hence the stability of the plan contribution and the fund size under different allocation periods could be estimated, which provide valuable information adding to the previous works.     

A new approach towards peptidosulfonamides: synthesis of potential inhibitors of bacterial peptidoglycan biosynthesis enzymes MurD and MurE

Peptidosulfonamides are an emerging group of peptidomimetics with a variety of applications in medicinal chemistry. We present a novel approach to the synthesis of peptidosulfonamides, and apply it to a series of new potential inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurE. The synthesis was conducted via N-phthalimido β-aminoethanesulfonyl chlorides, which are new building blocks for the synthesis of peptidosulfonamides. In the most crucial step, sulfonic acids or their sodium salts were converted into the corresponding sulfonyl chlorides using an excess of either SOCl₂ or SOCl₂/DMF, and then coupled to the C-protected amino acid. None of the compounds significantly inhibited MurD, however, some inhibited MurE; one had an IC₅₀ below 200 μM, which constitutes a promising starting point for further development. Molecular modelling simulations were performed on two analogues to investigate the absence of inhibitory activity of the sulfonamide compounds on MurD.     

单链表在离子发动机光学系统粒子模拟中的应用

 目前离子发动机光学系统数值模拟大多采用PIC方法，由于该方法需要跟踪单个粒子的运动，因此需要存储每个粒子的位置信息与运动信息。传统的粒子模拟程序中，保存粒子信息大多采用数组的方式，但是采用这种方式存在弊端，例如对粒子总数变化的自适应不好。基于此开发了一种使用链式存储结构的粒子模拟程序，该程序使用带头节点的单向链表存储粒子信息。使用基于链式存储结构的PIC方法对离子发动机光学系统进行了粒子模拟，验证了链式粒子信息存储方法在粒子模拟中的可用性。模拟表明：（1）在粒子模拟中采用链式存储结构存储粒子信息，无需预先指定最大粒子总数，程序可自适应粒子总数的变化，因此无需进行试算，节省了计算时间；（2）在粒子模拟中采用链式存储结构，由于不存在内存资源的浪费，因而可显著提高程序的存储效率与计算效率。     

Photoinduced Transformation between Charge Carrier and Spin Carrier in Polymers

By dynamical simulations, we show a transforming process between neutral soliton （spin carrier） and charged soliton （charge carrier） in polymers via photo-excitation, taking a polaron as the transitional bridge. It is photoinduced transformation between spin carrier and charge carrier. In this way, we demonstrate an access for polymers to be applied to spintronics.     

Anchoring Properties of Nematic Liquid Crystals Studied Using the Attenuated Total Reflection Method

By using the attenuated total reflection method associated with the excitation of surface plasmons, the tilt angle of the liquid crystal director and its gradient at the surface are measured in a planar nematic cell as a function of the applied voltage. The surface anchoring anisotropy δπ of the liquid crystal and the surface elastic constant k_s, are found to be δπ = 0.288 erg/cm and k_s, = 9·12 × 10^-11 erg, respectively, when the boundary condition suggested by Barbero et al is used. The theoretical and experimental values obtained with this boundary condition and that of Mada are discussed. The results show that the boundary condition proposed by Barbero et al is in better agreement with the experiment.