Quasi-One-Dimensional Free-Electron-Like States Selected by Intermolecular Hydrogen Bonds at the Glycine/Cu(100) Interface

We carry out ab initio density functional theory calculations to study manipulation of electronic structures of selfassembled molecular nanostructures on metal surfaces by investigating the geometric and electronic properties of glycine molecules on Cu(100). It is shown that a glycine monolayer on Cu(100) forms a two-dimensional hydrogen-bonding network between the carboxyl and amino groups of glycine using a first principles atomistic calculation on the basis of a recently found structure. This...     

小波分析软件Wavelab及其应用

随着小波分析研究及其应用的不断深入,对小波分析软件的研究和开发显得格外重要。本文在论述了国内外小波分析软件的现状后,介绍了Wavelab的主要特点及应用。     

保密传真通信系统的仿真实现

实际的保密传真通信系统是一个功能结构复杂的系统。在建立新系统前,通常需要对系统进行建模和仿真以消除系统中潜在的瓶颈,提高系统成功的概率。文中在分析了保密传真通信系统的工作原理之后,对保密传真通信系统的信源编码模块、加解密模块和调制解调模块进行了Matlab仿真实现,仿真结果达到了预期目标。     

多级孔ZSM-5分子筛的制备及催化噻吩烷基化性能研究

用不同浓度的Na₂CO₃溶液处理ZSM-5分子筛,采用XRD、XRF、SEM、N₂吸附脱附及NH₃-TPD方法对处理前后的ZSM-5分子筛进行表征,并考察了Na₂CO₃溶液处理对ZSM-5分子筛孔结构、酸性以及噻吩烷基化性能的影响。结果表明,Na₂CO₃溶液处理在保持ZSM-5分子筛微孔骨架结构的同时,增加了ZSM-5分子筛的比表面积、外表面积和介孔体积,并调变了酸性。Na₂CO₃溶液处理提高了ZSM-5分子筛催化剂的噻吩烷基化活性和噻吩选择性。一定反应条件下,随着Na₂CO₃溶液浓度增加,多级孔ZSM-5分子筛的噻吩烷基化性能逐渐提高,而噻吩选择性先增加后下降。当Na₂CO₃溶液浓度为2 mol/L时,分子筛的噻吩转化率和噻吩选择性分别为81.26 %和73.15%。当Na₂CO₃溶液浓度为3 mol/L时,噻吩转化率和选择性分别为90.57 %和72.59%。     

吐温80-硫酸铵-水固液体系萃取分离Rh(Ⅲ)和Ir(Ⅲ)

铑;铱;液固萃取分离;氯化亚锡;吐温80-硫酸铵-水固液体系萃取分离Rh(Ⅲ)和Ir(Ⅲ)     

中药地榆的化学成分分析

报道了中药地榆提取物化学成分的分析.首先采用正反相硅胶色谱柱层析共分离纯化出15个单体,然后经波谱分析等方法鉴定了其中13个化合物的结构.     

INFLUENCE OF BACKBONE RIGIDITY ON THE LIQUID CRYSTALLINITY OF MESOGEN-CONTAINING POLYACETYLENES

Two acetylene polymers containing cyanobiphenyl-based mesogens,poly { 10-[ ((4'- cyano-4-biphenylyl ) oxy ) carbonyl] - 1 -decyne } (PA8CN ), which has a relativelyfiexible polyalkyne backbone, and poly {[4-(((12-((4'-cyano-4-biphenylyl)oxy)dodecyl)oxy)carbonyl) phenyl]-acetylene} (PB12CN), which has a fairly rigid poly (phenylacetylene )backbone, were synthesized using respectively WCl_6 and [Rh(nbd)Cl]_2 as the catalysts.PA8CN exhibits enantiotropic interdigitated smectic A phase (S_(Ad)) over a temperaturerange as wide as ca. 100℃, whereas PB12CN is non-mesomorphic, demonstrating thatthe backbone rigidity plays an important role in determining the liquid crystallinity of thepolyacetylenes.     

亚甲基蓝与鲱鱼精DNA相互作用的光谱法研究

以吖啶橙(AO)作为光谱探针, 采用UV和荧光光谱等方法研究了亚甲基蓝(MB)与鲱鱼精DNA的作用机制. 确定了在低浓度MB时, MB与DNA以嵌插方式作用; 而在高浓度MB时, MB与DNA之间为混合作用方式. 结合比n(MB)∶n(DNA)＝10∶1, 结合常数 ＝2.46×10⁵ L•mol^－1, MB-DNA复合物的表观摩尔吸光系数ε＝5.70×10⁶ L•mol^－1•cm^－1. 同时研究了酸度和温度等对MB与DNA相互作用的影响, 热力学研究推导了MB结合DNA为焓驱动反应.     

Hydrothermal Synthesis,Crystal Structure and Luminescent Property of a New Cd(Ⅱ) Coordination Polymer with Four-fold Interpenetrated dia Topology

A new Cd(ΙΙ) coordination polymer with 2-nitroterephthalic acid(H2npa) and 1,4-bis(2-methyl-imidazol-1-yl) butane(bib) has been prepared by hydrothermal synthesis and characterized by single-crystal X-ray diffraction, IR and EA. Complex [Cd(npa)(bib)]n(1) is of orthorhombic system, space group Pcca with a = 16.1750(5), b = 9.8764(5), c = 15.5890(3) A, V =2490.4(2) A3, Z = 4, Mr = 539.82, Dc = 1.440 g/cm3, F(000) = 1088, μ = 0.918 mm-1, the final R =0.0320 and w R = 0.0775 for 2253 reflections with I 2σ(I). X-ray diffraction analysis reveals that complex 1 displays a four-fold interpenetrated dia topology. Furthermore, the luminescent property for complex 1 is also investigated in solid state at room temperature.     

以学生为中心的物理化学远程教学初探

在抗击新冠疫情期间,北京师范大学"物理化学"教学团队综合利用中国大学MOOC、雨课堂、微信群等多个网络平台和工具,探索并实践了以MOOC授课为基础、以学生学习为中心、以教师辅导为支撑的物理化学远程教学。我们以难度最大的"统计热力学基础"教学为例,设计了包括课前预习、课上观看MOOC视频、实时在线练习、教师答疑、课后反思提问等多环节的复合式教学方案,引导学生利用教师预留的资料、设计的教学活动以及布置的线上作业等实施自主学习。实践表明,这个多环节的综合设计在线课程能够充分调动学生的学习热情,培养学生的自我管理能力,锻炼学生的批判性思维,取得了良好的教学效果。