Study on synthesis of two-armed polymers containing a crown ether core and their self-assembly behaviors in selective solvents

A series of well-defined two-armed polymers containing a crown ether core, poly(stearyl methacrylate)-crown ether-poly(stearyl methacrylate) (PSMA-crown-PSMA), with different molecular weight were synthesized via atom transfer radical polymerization (ATRP). The resultant polymers were characterized by ¹H NMR and GPC. The self-assembly behaviors of this kind of polymer in selective solvents were studied by TEM, and it was found that polymers with different molecular weight can directly self-assemble into hollow spheres, solid spheres and a monolayer film with regular pores by varying molecular weight and water content. The possible molecular packing motels for their self-assembly behaviors were proposed.     

从头计算方法比较TiSi_2的C54相和C49相

采用平面波超软赝势描述多电子体系,利用密度泛函理论和广义梯度近似,计算出C54相和C49相TiSi2的晶格常数、体弹性模量、形成能、电子态密度(DOS)和Mulliken电荷布居等性质.通过比较这两种物质的性质,发现尽管两者形成能很相近,但C49相结构对称性差、体弹性模量小、熔点低,Ti原子d轨道的反键强、离子性弱.这些性质上的差异和C49相TiSi2在固相反应中优先形成有关.     

大环二萜天然产物(±)-Mayol的全合成

西松烷型二萜类化合物是一大类广泛分布于松脂、烟草、陆地动物及海洋生物体中的具有十四元碳环骨架的化合物.其结构新颖复杂,且大多具有显著和广谱的生物活性.近几十年来,有关这类化合物的研究已引起了人们的极大兴趣.因此,开展这类天然产物及其类似物的全合成及构效关系的研究不仅具有重要的学术价值,而且具有潜在的应用前景.     

二(β-二酮)氧钒(Ⅳ)与含氮碱加合物的合成和表征

合成了一系列VO(β-dik)_2L类型加合物,其中β-dik分别为苯甲酰丙酮,2-噻吩甲酰三氟丙酮,L3-甲基吡啶、4-甲基吡啶、吗啉、异喹啉,VO(bza)_2Mor、VO(tta)_2Mor、VO(tta)_2iso-q为首次合成,并通过元素分析、摩尔电导、红外光谱、电子光谱、顺磁共振波谱等对加合物进行了较系统的表征工作。     

Application of symplectic algorithms to QCT calculation:H+H_2 system

The basic theory of symplectic algorithm was introduced. A comparison between Runge-Kutta method and symplectic integration method was preformed in the simulation of the long time behavior of H + H2 system on BKMP potential energy surface. Our results reveal a dis-sipative behavior in the integral of ordinary differential equation by the fourth order Runge-Kutta method, which causes incorrect simulation results in QCT calculations. However, when the symplectic integration method is applied, the dissipative behavior is not found in the same system. When the initial state is the same, the energy deviation of fourth order symplectic integral method is almost one percent of that of fourth order Runge-Kutta method in a 60000-step simulation, and that of sixth order symplectic integral method is much less. These results show that the symplectic integral methods are always the better choice in the integral calculation of the long time behavior in maintaining energy conservation.     

功能化基团对C60-β-丙氨酸衍生物清除超氧阴离子自由基O-2·能力的影响

自Chiang等[1]发现富勒醇可以清除*OH以来, C60衍生物作为自由基清除剂的研究备受关注[2,3]. 超氧阴离子自由基O-*2是生物体内一类重要的氧自由基, 可以经过一系列反应生成其它自由基, 从而引发一系列疾病[4]. 及时清除过剩的O-*2具有重要意义.     

Absorption and Capture of Methane into Ionic Liquid

A reversible storage-release process switched by a temperature difference of 10℃around room temperature can be realized. This fast, recyclable, energy efficient, low cost and green system within a wide range of temperature and pressure is reported here for the first time. The system is believed to open up a new route for the storage and homogeneous utilization of methane.     

USING MEASURING METHOD TO FIND AREA OF ENCLOSED PLANE REGION AND VOLUME OF ENCLOSED SPACE REGION

Two simple methods to calculate the area and volume called improved square gridmethod and cube cutting method are proposed in this paper. For any plane curve orspace surface satisfying certain conditions, by our method, the error of measurement isof the second infinitive order of measuring unit (the side length of the square grid or theside length of the little cube) when the unit is small enough. And when some properties ofthe curve or the surface can be found or its varying bounds can be evaluated, it is pointedout, in order to make the error smaller than any given value, how small the length of themeasuring unit should be.     

Migration characteristics of radionuclides 85+89Sr2+, 134Cs+, 125I-, 75SeO3 2- and 152+154Eu(III) in Chinese soils

The migration of radionuclides ⁸⁵⁺⁸⁹Sr²⁺, ¹³⁴Cs⁺, ¹²⁵I^- and ⁷⁵SeO₃ ^2- in calcareous soil from Yuzhong county of Gansu Province (China) at pH 7.8±0.2 and ^152+154Eu(III) in red earth from Yingtan county of Jiangxi Province (China) at pH 4.6±0.2, in presence of CaCl₂ was studied using column experiments. Results indicate that the negative anions, iodide and selenide are mobile nuclides while the migration of positive cations is related to the sorption capacity for the element. Iodide can be assumed to be non-reactive in calcareous soil. The breakthrough curves (BTCs) were fitted to the analytical solution or numerical solution of one-dimensional convection-dispersion transport models. Good agreements were obtained between the measured and predicted concentration profiles.