Synthesis of Cucurbit [ n ] uril-based Rotaxanes

Non-covalent attractive forces are commonly employed in biological systems to drive the assembly of highly orga nized supramolecular entities from relatively simple subunits.     

Syntheses, properties and structures of copper and nickel complexes of 6,7-dihydro-5H-1,4-dithiepin-2,3-dithiolate

The reaction of CuCl2-2H2O or NiCl2.6H2O with K2(C5H6S4) [potassium salt of 6,7-dihydro-5H-1,4-dithiepin-2,3-dithiolate] under nitrogen atmosphere resulted in the isolation of [Cu(C5H6S4)2]- or [Ni(C5H6S4)2]- as the tetrabutylammonium salt. Both complexes show characteristic IR and UV-Vis absorptions of transition metal dithiolenes. Cyclic voltammograms contain two waves indicating a two step electrochemical procedure [M(C5H6S4)2]0 = [M(C5H6S4)2]1-= [M(C5H6S4)2]2-. Single crystal structure study has been carried out on the nickel complex. Crystal of [Bu4N][Ni(C5H6S4)2] belongs to monoclinic space group P21/c with a=17.576(5), 6=10.883(2), c=17.773(4) A,B=91.07(2)0, Z=4, and o(calcd.)=1.348 g/cm3. Final result is R=0.059 for 2959 reflections. The NiS4 core exhibits square planar coordination with average Ni-S bond length of 2.134(5) A. There are not anion pairs in crystal. The anions stack along a and c axes while the cations intercalate in them. The nearest S-S contact is 4.429 A. The solid powder ESR s     

Ag-MoO3催化丙烯直接气相环氧化反应的原位红外研究

制备了对丙烯直接气相环氧化具有较好催化性能的Ag-MoO3催化剂, 采用原位FT-IR技术研究了丙烯、环氧丙烷及丙烯+氧气的混合气在Ag和Ag-MoO3催化剂表面上的吸附及反应行为. 研究表明, 丙烯在Ag和Ag-MoO3催化剂表面上吸附后, 均不发生化学反应, 而环氧丙烷吸附后在较高温度下则发生开环和聚合反应直至产生积炭. 与Ag催化剂相比, 在Ag-MoO3催化剂上, MoO3的加入在降低催化剂活性的同时, 在一定程度上抑制了产物环氧丙烷的开环及深度反应, 使环氧丙烷的选择性提高. 另外, 在较低的反应温度和较短的滞留时间下, 环氧丙烷发生深度反应的程度明显降低.     

A Novel Toxicological Evaluation of TiO2 Nanoparticles on DNA Structure0

TiO2 has been tested to be toxic to DNA under the photo-irradiation of ultraviolet A （UVA）. However, in the dark conditions, after several days of treatment with TiO2 in aqueous solution, the interaction between TiO2 and two types of DNA was detected and the mechanisms were studied by the methods of gel-electrophoresis, IR spectroscopy and TEM. The results showed that the DNA would be bound to TiO2; the ratio of binding was related to the concentration and the treating time; the mechanism of binding is related to phosphate groups of DNA. Besides, DNA with different structure showed different degree of binding. These findings showed a new possible way through which the TiO2 nanoparticles interact with DNA.     

A Transparent Thin Film with Hexagonal Mesostructure Containing Rhodamine 6G

A transparent this film was prepared by depositing the sol-gel mixture for the synthesis of MCM-41 mesoporous molecular sieve doped with rhodamine 6G(R6G) dye on glass substrates. The film of silica-surfactant-R6G materials, which was identified to possess hexagonally ordered mesostructure,was composed of nanocrystallites about 35 nm in diameter and 1-10μm in thickness. Cleanness of the substrates, concentration of the sol-gel mixture and rate of evaporation of the solvent were the key factors affecting transparency and homogeneity of the film. Moreover,optical change and lack in dye aggregation were observed to the R6G-functionalized MCM-41 thin film in contrast with that in ethanol solution.     

Vibrational Spectroscopic Study on Ion Solvation and Association of Lithium Perchlorate in 4-Methoxymethyl-ethylene Carbonate

Solvation interaction and ion association in solutions of lithium perchlorate/4-methoxymethyl-ethylene carbonate （MEC） have been studied by using Infrared and Raman spectra as a function of concentration of lithium perchlorate. The splitting of ring deformation band and ring ether asymmetric stretching band, and the change of carbonyl stretching band suggest that there should be a strong interaction between Li^＋ and the solvent molecules, and the site of solvation should be the oxygen atom of carbonyl group. The apparent solvation number of Li^＋ was calculated by using band fitting technique. The solvation number was decreased from 3.3 to 1.1 with increasing the concentration of LiClO4/MEC solutions. On the other hand, the band fitting for the ClO4^- band revealed the presence of contact ion pair, and free ClO4^- anion in the concentrated solutions.     

壳聚糖-氨基酸体系中碳酸钙模拟生物矿化的研究

本文选取壳聚糖与氨基酸作为碳酸钙模拟生物矿化的有机基质,研究并比较了侧链带不同电荷的氨基酸对碳酸钙生物矿化的调制作用,发现侧链带负电荷的酸性氨基酸能改变壳聚糖体系中原有的晶种模板,使能量比较高的球霰石型碳酸钙得以生成,而单纯的壳聚糖体系中只能得到方解石型碳酸钙;在形貌上则改变了球霰石型碳酸钙原有的球状堆积,出现了两头小、中间大椭球状的特殊形貌。     

273.15 K下Li2B4O7-LiCl-H2O体系热力学性质的等压研究及离子作用模型

用等压法研究了273.15 K下Li₂B₄O₇-LiCl-H₂O体系不同质量摩尔浓度分数的等压平衡浓度和水活度; 计算了LiCl和Li₂B₄O₇混合盐溶液的渗透系数等热力学性质. 用273.15 K下的实验数据对Pitzer离子相互作用模型进行了参数化研究, 拟合求取了273.15 K下Pitzer离子相互作用参数, 用获得的参数计算了LiCl和Li₂B₄O₇在Li₂B₄O₇-LiCl-H₂O体系中的活度系数. 273.15 K下由相应的Pitzer模型计算的渗透系数值与实验结果一致. 这对完善含锂、硼盐湖卤水体系的热力学模型具有重要意义.     

Synthesis of a Mimicking Hybrid of Annonaceous Acetogenin with Steroid for Antitumoral Activity Investigation

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丙醛的等离子体聚合以及聚合物的结构与性质初探

应用外部电容耦合式等离子体聚合方法,制得了丙醛聚合物,研究了不同的等离子体条件对丙醛的聚合行为的影响。通过元素分析、红外光谱分析、色谱-质谱联合分析、X-射线衍射、润湿性测定等手段研完发现,聚合物为无定形交联结构,表面能为41—45达因/厘米。