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.     

Synthesis, Crystal Structure and NLO Properties of a Novel Ruthenium(II) Complex with Unusual Coordination Mode

A new Schiff base 4-[N-hydroxyethyl-N-(methyl)amino]benzaldehyde S-methyl dithiocarbazate (HL, where H is a dissociable proton) and the ruthenium complex [Ru(bpy)₂L]PF₆ (bpy = 2,2′-bipyridine) have been synthesized. The structural determinations of the ligand and its ruthenium complex, by X-ray crystallography, show that the ligand is coordinated as a monoanionic bidentate N, S-donor, forming a four-member chelate ring with a bite angle of 65.91°. The complex shows intense MLCT transitions in the visible region. Fluorescent and electrochemical properties have been also studied. The complex in DMF solution exhibited a strong two-photon absorption (t.p.a.) at 532 nm nanosecond laser pulses. The t.p.a. coefficient β, t.p.a. cross-section σ and the third-order optical nonlinearity χ⁽³⁾ of the complex and the ligand have been determined by the Z-scan technique.     

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.     

氨三乙酸增敏催化光度法测定痕量锰

在活化剂氨三乙酸存在下,基于锰(Ⅱ)催化高碘酸钾氧化溴酚蓝的反应,拟定了测定痕量锰的催化光度法。此催化反应灵敏度高,选择性和重现性较好,线性范围为0.4~10μg.L-1,检出限为8.5×10-8g.L-1,用于测定水样和茶叶中的锰,分析结果的相对标准偏差(n=6)分别为3.2%及1.1%,回收率依次为93%~109%和94%~108%。     

中药材巴戟天及其水煎液微量元素的分布模式

模拟传统煎药方式,制备巴戟天水煎液。用电感耦合等离子体质谱法(ICP-MS)测定了药材及其水煎液中11种微量元素Cr、Mn、Co、Ni、Cu、Zn、As、Se、Cd、Sn、Pb含量,用火焰原子吸收光谱法(FAAS)测定了微量元素Fe含量。根据微量元素含量,得到了药材及水煎液微量元素的分布模式。结果表明,巴戟天药材样品富含人体必需元素Fe、Mn、Zn,含量分别是1086.3、393.8、15.1μg.g-1;巴戟天药材与水煎液微量元素的分布模式图清晰地显示了其微量元素的分布特征,且药材与水煎液微量元素的分布模式以及不同煎制时间下水煎液微量元素的分布模式均存在明显差异,进而表明这种微量元素分布模式对中药微量元素的研究和临床应用具有参考价值。