Signal moments for the short‐time Fourier transform associated with Hardy–Sobolev derivatives

The short‐time Fourier transform has been shown to be a powerful tool for non‐stationary signals and time‐varying systems. This paper investigates the signal moments in the Hardy–Sobolev space that do not usually have classical derivatives. That is, signal moments become valid for non‐smooth signals if we replace the classical derivatives by the Hardy–Sobolev derivatives. Our work is based on the extension of Cohen's contributions to the local and global behaviors of the signal. The relationship of the moments and spreads of the signal in the time, frequency and short‐time Fourier domain are established in the Hardy–Sobolev space. Copyright © 2014 John Wiley & Sons, Ltd.     

In situ time-resolved DXAFS study of Rh nanoparticle formation mechanism in ethylene glycol at elevated temperature

A combination of in situ time-resolved DXAFS and ICP-MS techniques reveals that the formation process of Rh nanoparticles (NPs) from rhodium trichloride trihydrate (RhCl(3)·3H(2)O) in ethylene glycol with polyvinylpyrrolidone (PVP) at elevated temperature is a first-order reaction, which indicates that uniform size Rh NPs appear consecutively and these Rh NPs do not aggregate with each other.     

Czerny-Turner正交型光栅单色仪的波长校准

研究了Czerny-Turner正交型光栅单色仪的波长校准技术。结合单色仪的结构参数和特点,提出以符合光栅方程的正弦曲线作为仪器出射波长的校准方程,基于最小二乘法原理给出校准方程的拟合残差表达式,由于校准方程的非线性,应用二维Nelder-Mead单纯形法求解拟合残差的待定系数,建立了波长与光栅转角的精确表达式,并通过实验验证了该算法的准确性。结果表明,经过校准的单色仪波长定位精度小于0.1nm,比设计要求提高一个数量级。该方法在Czerny-Turner正交型光栅单色仪的波长校准过程中,应用简单,容易实现,只需稍加修改步进电机的控制程序,即可完成对仪器出射波长的快速实时校准,实用性强。     

改性Y分子筛的酸碱性能及吸附性能的研究

吡啶、吡咯、苯、甲苯、乙苯作为探针分子，在Li＋, Na＋, K＋, Cs＋改性的Y型分子筛上进行吸附，用TPD及IR方法系统地研究了不同碱金属离子改性的Y型分子筛的酸碱性能和吸附性能的变化. 结果表明，按Li、Na、K、Cs的顺序, 随着碱金属离子半径的增大, 其L酸酸强度依次减弱，L碱的强度逐渐增强.由于改性Y型分子筛所含碱金属离子的不同，其对芳烃的吸附的强弱及吸附量的大小亦不同.随着骨架外的阳离子的半径逐渐增大，碱的强度逐渐增强，与芳烃的作用愈强烈，导致TPD脱附峰温增高及芳烃和侧链上的C－H伸缩振动谱带向低波数位移愈多.由于位阻的原因，对含同一种碱金属离子的分子筛来说，随着芳烃侧链C数的增加，芳烃的吸附量逐渐减小.     

Synthesis,Characterization, DNA‐binding Properties,and ­Antioxidant Activity of a Copper(II) Complex with 1, 3‐Bis­(1‐allaylbenzimidazol‐2‐yl)‐2‐oxopropane

A new complex of copper(II) picrate (pic) with 1, 3‐bis(1‐allaylbenzimidazol‐2‐yl)‐2‐oxopropane (aobb), with the composition [Cu(aobb)₂](pic)₂, was synthesized and characterized. The crystal structure of the copper(II) complex revealed that the coordination environment around the central copper(II) atom is a distorted octahedral arrangement. Electronic absorption spectroscopy, ethidium bromide displacement experiments and viscosity measurements indicate that the ligand and the Cu^II complex can strongly bind to calf thymus DNA, presumably by an intercalation mechanism. Furthermore, the antioxidant activity of the Cu^II complex was determined by superoxide and hydroxyl radical scavenging method in vitro, which indicate that the Cu^II complex has the activity to suppress OH ^· and O₂ ^{· –}.     

两个三维柔性功能化双苯并咪唑金属N-杂环卡宾的合成和结构

由1,1'-双苄基-3,3'-氧双(亚乙基-2,1)-二苯并咪唑六氟磷酸盐(L1)和1,1'-双(吡啶-2-甲基)-3,3'-氧双(亚乙基-2,1)-二苯并咪唑六氟磷酸盐(L2)为配体合成了[Hg(C₃₂H₂₈N₄O)](CH₃COO)(PF₆)₂(1)和[NiCl(C₃₀H₂₈N₆O)](PF₆)₂(2),并对其进行了结构表征。配合物1是一个罕见的三价态Hg配合物,为单斜晶系P2₁/c空间群,配合物2为单斜晶系P2₁/n的配合物。1和2中存在O-H…F,C-H…F,C-H…Cl,C-H…π,P-F…π氢键作用和π-π堆积作用,并以此分别形成了3D超分子结构。     

SiC中间层对金刚石涂层硬质合金刀具膜 基界面结合性能的影响

基于第一性原理分别计算了WC-Co/Graphite/Diamond、WC-Co/SiCC-Si/Diamond和WC-Co/SiCSi-C/Diamond界面模型的粘附功、断裂韧性,分析了电子结构和态密度.结果表明:Graphite/Diamond界面粘附功极小,金刚石在石墨基面上成核不良;WC-Co/Graphite界面处Co与C(Graphite)原子具有同种电荷而相斥,添加SiC中间层改变了界面处原子的电荷分配与成键方式,WC-Co/SiC界面Co与C(或Si)原子具有异种电荷而相吸,且Co-Si(SiC)键强于Co-C(SiC)键;SiC/Diamond界面C(SiC)-C(Diamond)键强于Si(SiC)-C(Diamond)键.因此,三种界面模型中各界面的粘附功SiCSi-C/Diamond>SiCC-Si/Diamond>WC-Co/SiCSi-C>WC-Co/SiCC-Si>WC-Co/Graphite>Graphite/Diamond.总之,添加SiC中间层提高了金刚石涂层硬质合金刀具膜基界面结合性能.     

原位合成分子筛多孔层毛细管柱的制备与性能考察

在毛细管内壁,原位合成了Ｎａ－Ａ型分子筛,成功制备出一类新型分子筛多孔尾毛细管柱。和涂渍相比,原位合成法在毛细管内壁形成的分子筛层更加均匀、致密度、更能体现出分子筛对低碳烃的分离特性,实验表明用超短毛细管柱即可对低碳烃进行良好的分离。     

A selective view of stochastic inference and modeling problems in nanoscale biophysics

Advances in nanotechnology enable scientists for the first time to study biological processes on a nanoscale molecule-by-molecule basis. They also raise challenges and opportunities for statisticians and applied probabilists. To exemplify the stochastic inference and modeling problems in the field, this paper discusses a few selected cases, ranging from likelihood inference, Bayesian data augmentation, and semi- and non-parametric inference of nanometric biochemical systems to the utilization of stochastic integro-differential equations and stochastic networks to model single-molecule biophysical processes. We discuss the statistical and probabilistic issues as well as the biophysical motivation and physical meaning behind the problems, emphasizing the analysis and modeling of real experimental data. This work was supported by the United States National Science Fundation Career Award (Grant No. DMS-0449204)     

塞曼效应实验数据分析与处理方法改进

利用CCD观测系统获取了塞曼效应实验分裂的干涉圆环图像,通过计算机软件编写灰度获取程序,将传统的测微目镜测量法和画圆法测量干涉圆环直径改进为利用计算机程序自动获取干涉圆环数据,并通过编写的数据处理程序对获得的数据自动计算和分析,简化了数据分析与处理过程并提高了实验结果的精度.