微波辐射下2,7,7-三甲基-3-乙氧羰基-4-(3-硝基苯基) -5-氧代-1,4,5,6,7,8-六氢喹啉的合成和晶体结构

标题化合物C21H24N2O5是由间硝基苯甲醛、达咪酮、乙酰乙酸乙酯、醋酸铵在微波辐射下干反应而得。结构通过单晶X-射线衍射法确定,其晶体属斜方晶系,空间群 Pbcn, a =17.953(3), b =15.206(4), c =14.299(3), V =3904.(2)3, Mr =384.42, Z =8, Dc =1.308g/cm3 , m(MoKa) =0.094mm-1, F(000)=1632。晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.0493, wR=0.1078。X-射线分析结果表明,吡啶环为船式构象,与之稠合的六元环为信封式构象。     

Development of mean-field electrical double layer theory

In order to understand the electric interfacial behavior, mean field based electric double layer(EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the development of the EDL model, from the dimensionless Gouy–Chapman model to the symmetric Bikerman–Freise model, and finally toward size-asymmetric mean field theory models. We provide the general derivations within the framework of Helmholtz free energy of the lattice–gas model, and it can be seen that the above-mentioned models are consistent in the sense that the interconversion among them can be achieved by reducing the basic assumptions.     

浅谈无机化学原理与教学实例、趣味实验、元素无机化学知识点的结合

针对大一学生初学无机化学时面临的理论联系实际能力不足、学习兴趣和实验操作水平较差、学习元素无机化学重死记硬背、轻理解运用等问题,我们提出在无机化学教学过程中,将无机化学原理内容分别与一些生动、具体的教学实例、趣味化学实验、元素无机化学等紧密结合,可以有效解决学生在学习无机化学时遇到的上述困难。     

电化学发光传感器在农业传感领域中的研究进展

基于电化学发光(ECL)分析法构建的电化学发光传感器具有灵敏度高、背景信号低、操作简单的优点,因此,它在农业、工业、环境、临床和食品等领域具有广泛的应用前景。 本文主要综述了电化学发光传感器检测农药残留和真菌毒素的应用及其相应的检测性能,分析了电化学发光传感器在农业传感领域的研究现状,并阐述了未来电化学发光传感器的发展趋势。     

LiFePO4纳米管的制备与表征

The LiFePO4 nanotubes were successfully fabricated by a sol-gel method with porous anodic aluminum oxide as the template. Transmission electron microscopy and scanning electron microscopy showed that the synthe- sized LiFePO4 nanotubes were monodispersed and parallel to one another. Selected area electron diffraction pattern, X-ray diffraction and X-ray photoelectron spectroscopy investigations jointly demonstrated that the synthesized LiFePO4 nanotubes were pure olivine structure. This approach offered a potentially way for fabricating ordered LiFePO4 nanotubes at room temperature and ambient conditions, which might be expected to find promising application as a new cathode material in lithium ion battery.     

非平衡磁控溅射制备类石墨碳膜及性能研究

利用中频非平衡磁控溅射技术在单晶硅基底上沉积了类石墨碳膜, 采用Raman光谱、高分辨透射电子显微镜、原子力显微镜分析了薄膜微观结构和表面形貌; 采用纳米压痕仪和CSM摩擦磨损试验机测试了碳膜力学性能和摩擦学性能. 结果表明: 利用中频非平衡磁控溅射技术沉积的碳膜是一种以sp²键合碳为主、结构非晶、硬度适中、应力较低、表面粗糙度较大、摩擦性能优异的薄膜. 脉冲占空比对薄膜微观结构和性能有显著影响, 随着脉冲占空比的增大, Raman光谱D峰和G峰的强度比I_D/I_G先减小后增大, 而硬度随脉冲占空比的增大却呈现出相反的变化趋势, 即先增大后减小; 大气氛围中的摩擦性能测试表明, 本实验制备的薄膜具有优异的抗磨性能(～10^-11 cm³/N^-1. m^-1)和承载能力(～2.5 GPa). 随脉冲占空比的增大, 薄膜摩擦系数变化甚微而磨损率却呈现先显著减小后轻微增大的变化趋势. 类石墨碳膜优异的摩擦学性能主要归因于其独特的结构、较低的内应力及良好的结构稳定性.     

Cu-Zn原电池标准电动势测定实验的计算化学设计

基于量子化学计算软件Gaussian 16,对“电动势的测定”这一经典物理化学实验进行了计算化学设计。用密度泛函方法计算了Cu²⁺和Zn²⁺的溶剂化自由能,通过热力学循环计算得到电池反应的标准摩尔吉布斯自由能变,进而求出Cu-Zn原电池的标准电动势。该实验旨在帮助学生加深对标准摩尔吉布斯自由能、电极电势和能斯特方程等物理化学基本概念的理解,发挥学生的主观能动性,培养学生设计实验能力、动手实践能力以及科学思维。     

Synthesis,Structure and Biological Activity of Zn(II) Complex with Tris(benzimidazol-2-yl-methyl)amine Ligand

Introduction Since the structures of superoxide dismutase (SOD) which appears to play an important role in both the animal and plant kingdoms to eliminate ·2O- and pro-tect living organisms from toxicity of ·2O- 1, exhibit that most of the coordinated atoms around metal ions are from imidazole groups of histidines which are the primary ligands in distorted coordination geometry2-4 in SOD, an important step should be designed to synthe-size the model compounds of SOD in which ligands shou…     

以DC-SIGNR为靶点的抗HIV新药分子设计

DC-SIGN[Dendritic cell specific intracellular adhesion molecule-3(ICAM-3)grabbing nonintegrin]是在树突状细胞(Dendritic cell)上表达的一种蛋白分子[1],它能介导HIV病毒进入细胞内.DC-SIGN与HIV病毒颗粒膜表面上的糖蛋白gp120特异性结合,使附着在树突状细胞上HIV病毒借助树突状细胞的运载和帮助,实现入侵淋巴组织中免疫T细胞的目的,从而产生一系列病毒入侵细胞并复制的过程.DC-SIGNR在一级序列上与DC-SIGN有77%的相似性,具有与DC-SIGN相同的功能.     

二苯并咪唑丙烷高氯酸盐的晶体结构和量子化学计算

合成了二齿配体二苯并咪唑丙烷(tbz), 对该配体进行了元素分析、紫外和红外表征;采用X-射线衍射方法测定了该配体高氯酸盐的晶体结构, 晶体学参数如下: C17H17N4O4Cl, Mr = 376.80, a = 0.8486(3), b = 1.3766(4), c = 1.4893(4) nm, b = 103.153(6), V = 1.6940(11) nm3, Dc = 1.477 g/cm3, Z = 4, F(000) =784, m = 0.258 mm-1,空间群为P21/n。文章讨论了二苯并咪唑丙烷(tbz)、质子化二苯并咪唑丙烷及配体tbz在配合物中的构象变化, 运用G98程序对二苯并咪唑丙烷(tbz)及其质子化的二苯并咪唑丙烷分别进行了量子化学计算。