Zn/AlCl3促进下二硫醚与α,β-不饱和化合物的共轭加成

二芳基二硫醚与锌粉在DMF 中110 ℃反应, 生成二硫醚与锌的复合物; 后者在无水AlCl₃存在下与丙烯酸酯、丙烯腈反应分别生成β-芳硫基丙酸酯和相应的腈, 产率48%～91%.     

Molecular caps for full quantum mechanical computation of peptide-water interaction energy

We present a systematic study of numerical accuracy of various forms of molecular caps that are employed in a recently developed molecular fractionation scheme for full quantum mechanical computation of protein-molecule interaction energy. A previously studied pentapeptide (Gly-Ser-Ala-Asp-Val) or P5 interacting with a water molecule is used as a benchmark system for numerical testing. One-dimensional potential energy curves are generated for a number of peptide-water interaction pathways. Our study shows that various forms of caps all give consistently accurate energies compared to the corresponding full system calculation with only small deviations. We also tested the accuracy of cutting peptide backbone at different positions and comparisons of results are presented.     

Synthesis of functionalized analogs of pyochelin, a siderophore of Pseudomonas aeruginosa and Burkholderia cepacia

Using an improved synthesis of pyochelin, a siderophore common to several pathogenic Pseudomonas species, three functionalized pyochelin analogs were efficiently synthesized starting from appropriate 2-hydroxybenzonitriles.     

Employment of 4-(1-imidazolyl)phenol as a luminol signal enhancer in a competitive-type chemiluminescence immunoassay and its comparison with the conventional antigen-horseradish peroxidase conjugate-based assay

This study describes the employment of a novel imidazole-substituted phenol [4-(1-imidazolyl)phenol] as a highly potent signal enhancer in a horseradish peroxidase (HRP)-luminol chemiluminescence (CL) immunoassay. This competitive-type immunoassay for the model antigen fentanyl is based on the use of fentanyl polyclonal antibody immobilized on white microtiter plates and a biotinylated bovine serum albumin (BSA)-fentanyl derivative as a tracer. The latter was detected by means of streptavidin labeled with HRP, resulting in the generation of a high-intensity and relatively stable chemiluminescent signal, immediately after the addition of the substrate solution (NOAS). The developed method fulfilled the requirements of accuracy (percentage recovery ranged from 93.8 to 107%) and precision (intra- and inter-assay CVs were 2.5-5.2 and 4.5-11.9%, respectively). Its plasma detection limit (1.05 pg ml⁻¹) was lower than those of previous immunoassays. The novel assay was compared in terms of sensitivity and concentration range with other common HRP substrate systems: luminol-p-iodophenol-H₂O₂ and TMB-H₂O₂. Finally, the described method was compared with an HRP-fentanyl conjugate-based assay, similar to commercially available kits (SKIT), employing the novel substrate solution for both assays and the differences observed were explained by applying previously described models. The detection limit was 4.82 pg ml⁻¹ for SKIT, recovery values were 94.2-105% and intra- and inter-assay CVs were 2.5-5.2 and 4.5-11.9%, respectively. In conclusion, the proposed assay could be utilized for a wide range of molecules and replace the existing enzyme-labeled antigen-based kits.     

An expedient preparation of Stryker's reagent

A convenient and efficient preparation of Stryker's reagent, [Ph₃PCuH]₆, under homogeneous conditions using silanes as the reducing agent is detailed. The reaction time can be reduced to 1-2 h, and high yields of Stryker's reagent can be routinely achieved. The same method has been extended to the synthesis of [Ph₃PCuD]₆ using Ph₂SiD₂.     

修正PRP共轭梯度方法求解无约束最优化问题

基于著名的PRP共轭梯度方法,利用CG_DESCENT共轭梯度方法的结构,本文提出了一种求解大规模无约束最优化问题的修正PRP共轭梯度方法。该方法在每一步迭代中均能够产生一个充分下降的搜索方向,且独立于任何线搜索条件。在标准Wolfe线搜索条件下,证明了修正PRP共轭梯度方法的全局收敛性和线性收敛速度。数值结果展示了修正PRP方法对给定的测试问题是非常有效的。     

Fastiterative methods for least squares estimations

Least squares estimations have been used extensively in many applications, e.g. system identification and signal prediction. When the stochastic process is stationary, the least squares estimators can be found by solving a Toeplitz or near-Toeplitz matrix system depending on the knowledge of the data statistics. In this paper, we employ the preconditioned conjugate gradient method with circulant preconditioners to solve such systems. Our proposed circulant preconditioners are derived from the spectral property of the given stationary process. In the case where the spectral density functions() of the process is known, we prove that ifs() is a positive continuous function, then the spectrum of the preconditioned system will be clustered around 1 and the method converges superlinearly. However, if the statistics of the process is unknown, then we prove that with probability 1, the spectrum of the preconditioned system is still clustered around 1 provided that large data samples are taken. For finite impulse response (FIR) system identification problems, our numerical results show that annth order least squares estimator can usually be obtained inO(n logn) operations whenO(n) data samples are used. Finally, we remark that our algorithm can be modified to suit the applications of recursive least squares computations with the proper use of sliding window method arising in signal processing applications.Research supported in part by HKRGC grant no. 221600070, ONR contract no. N00014-90-J-1695 and DOE grant no. DE-FG03-87ER25037.     

FBMC系统改进序列算法的定时同步技术

为提高滤波器组多载波（Filter Bank Multicarrier,FBMC）系统在低信噪比下的定时同步准确率和抗频偏性能,基于FBMC系统与正交频分复用（Orthogonal Frequency Division Multiple,OFDM）系统的相似性,对OFDM系统定时同步中的Park测度函数进行改进并引入到FBMC系统中。利用共轭对称结构能够提高定时精度和加权处理能够更好地抵抗频偏影响的特点设计同步序列,进行共轭对称和加权处理。仿真结果表明,基于改进序列的Park算法相较共轭对称序列的TR1算法,其信噪比提前3 dB达到了100%定时准确率,实现了低信噪比下的高精度定时同步,且具有更强的抗频偏性能;相较原Park算法,相同信噪比下,改进序列的Park算法的频偏均方差（Mean Square Error,MSE)也小于原Park算法的频偏MSE,抗频偏性能表现更优。     

基于FPGA的多通道雷达数据回放系统设计

为解决雷达实时信号处理功能及性能有效验证问题,文中设计并实现了一种宽窄带一体化、多通道雷达数据回放系统。该系统按雷达工作的时序和数据率将雷达回波数据发送至实时信号处理系统,从而对目标跟踪场景进行复现,实现雷达实时信号处理功能及性能的有效验证。系统硬件平台由磁盘阵列服务器与两块PCIe光纤板组成。基于Xilinx系列产品,结合系统特点对PCIe DMA控制流程及响应机制做进一步调整,实现了服务器到光纤板的雷达回波数据高速批量传输。根据雷达工作机制及回波数据结构,设计FPGA回放控制状态机及相关功能模块,严格按照雷达工作的时序和数据率使雷达回波数据由光纤板传输至实时处理系统。分别设计软件同步控制方法和硬件同步控制方法,保证多板卡数据回放的同步性。测试结果表明,该系统实现了宽、窄带雷达回波数据的板间同步回放,各数据类型分别支持6路并行数据通道,数据回放峰值速率可达1 920 MB·s^-1。文中系统可依托雷达原有硬件平台实现,无需增设板卡和线缆,具有良好的集成性与通用性,目前已被应用于某多功能相控阵雷达中。     

航空机载软件全数字仿真测试系统的设计与实现

针对航空机载软件测试环境与开发环境冲突、测试环境可控性和通用性差、非干预性测试困难的问题,分析了全物理实装测试环境、半实物仿真测试环境的优缺点,研究了全数字仿真测试技术,设计并实现了一种航空机载软件全数字仿真测试系统。该系统由仿真核心平台、仿真工具组件、协同仿真组件和人机交互组件构成,提供了航空机载处理器、内存、外设等多种可重用库。提出了基于底层虚拟机的动态二进制翻译技术、协同仿真时间同步和数据通信机制等关键技术,实现了航空机载软件全数字高速闭环仿真运行。工程实践证明,该系统能达到降低硬件设备的依耐性、简化测试环境搭建的复杂度、提高测试效率约42%的目的。