清洁及氧修饰Cu（100）表面上CO2加氢制甲醇反应的能量学

分别以清洁及氧悠Ｃｕ（１００）表面作为金属态铜和部分氧化态铜的表面模拟，用键级守恒－Ｍｏｒｅｓ势法研究了两种表面上ＣＯ２加氢制甲醇反应的能量学，计算结果表明，在两种表面上，ＣＯ２加氢制甲醇反应的优势反应途径均为“ＣＯ２，ｓ→ＨＣＯＯｓ→Ｈ２ＣＯｓ→ＣＨ３Ｏｓ→ＣＨ３ＯＨｓ”与清洁铜表面上的相应基元步骤相比，在Ｃｕ（１００）－ｐ（２×２）Ｏ表面上甲醇合成反应各基元步骤具有更低的活化能；ＨＣＯＯｓ是含     

自润滑轴承失效原因的XPS分析

用Ｘ射线光电子能谱仪（ＸＰＳ）对失效前后的自润滑轴承各部件表面的化学组成及其状态进行了分析，结果表明失效前后表面性质差异较大，失效是由于自润滑膜破损耗尽所致。     

N-取代-3-吲哚乙酰胺类α1-肾上腺素受体拮抗剂的设计、合成及其3D-QSAR研究

结合α1-受体拮抗剂的构效关系和我们应用计算机辅助药物设计方法所构建的药效团模型,设计合成了一系列N-取代-3-吲哚乙酰胺类化合物,并评价其α1-受体拮抗作用.初步生物活性测试表明,所合成的目标化合物多数具有较好的α1-受体拮抗活性.并应用SOMFA方法进行分子结构特征和α1-受体生物活性之间的关系研究.     

The further crystallographic refinement of trichosanthin at 2.7A resolution and the comparison among the three molecular structures in two crystal forms

The three-dimensional structure of trichosanthin at 2.7A resolution has been improved further, by refitting one of the C-terminal tails, adjusting 16 residues in the molecular surface regions, discarding some water molecules with high B values, and adjusting weights during the further refinement. The R-factor has been reduced to 18.5% and the r.m.s deviations from ideal geometry are also improved. The structures of the two molecules in the monoclinic asymmetric unit and the only molecule in the orthorhombic asymmetric unit are compared with one another. The main-chain structures for most of the residues in the three molecules are substantially the same. However, the courses of the three C-terminal tails are completely different, and the intermolecular interactions resulting from the particular packing of the molecules in the crystals account for the differences. The strand Be-2 and the preceding B-turn in small domain show large r.m.s. deviations among the three molecules and they are also involved in i     

纤维状硬脂酸银的合成及其表征

A new type of fibrous silver stearate (AgSt) was synthesized using double-jet method with KOH as pH regulator in water solution system. The structure, morphology and phase transiton behavior of the fibrous AgSt were characterized by FTIR, SEM, XRD and TG-DTA. SEM images showed that the diameter of the fibrous AgSt was about 150 nm and the length was 5～8 μm. XRD data indicated its layered structure and TG-DTA showed its high themal stability. In addition, the possible growth mechanism of the fibrous AgSt is also discussed.     

Synthesis of （S）-2-Ethoxy-3-Phenylpropanoic Acid Derivatives and Their Insulin-Sensitizing Activity

A series of （S）-2-ethoxy-3-phenylpropanoic acid derivatives were synthesized and their insulin-sensitizing activities were evaluated in 3T3-L1 cells. Compounds 1b, 1d, 1e and 1f exhibited more potent insulin-sensitizing activity than rosiglitazone.     

溴邻苯三酚红修饰碳糊电极吸附伏安法测定痕量锑

研制了溴邻苯三酚红(BPR)作修饰剂的碳糊修饰电极,并采用所制备的电极做工作电极建立了测定锑的方法。测定了电活性络合物的组成,并探讨了电极反应机理。该方法已用于锌电解液中痕量锑的测定,结果满意,检出限为2.0×10-8 mol/L。     

聚集诱导发光分子在光动力治疗中的研究进展

光动力治疗(PDT)已成为治疗癌症的重要方法之一。传统光敏剂由于存在选择性差、易光漂白等问题,极大地限制了其在临床上的应用。而具有聚集诱导发光特性的荧光分子(AIEgens),在光照条件下能产生活性氧,并能够将肿瘤细胞杀死,具有治疗癌症的功效。此外,AIEgens还具有易制备、荧光特性优异、生物相容性好以及被动靶向效应(EPR效应)等优点,已被广泛应用于光动力治疗领域,并取得了巨大的发展,具有潜在的医学应用价值。该文主要概括并讨论了近5年来AIEgens在光动力治疗中的研究进展,并进行了展望。     

硅表面含二茂铁基团自组装单分子膜制备及电流-电压关系测量

合成了一种头基为二茂铁基团的长链烯烃分子(Fc-CO-NH-(CH₂)₉-CH=CH₂) (FcUA)，并用红外、核磁、质谱等手段对其进行了表征。用微波引发将该化合物嫁接到平面硅的表面，并用X射线光电子能谱、反射红外光谱、原子力显微镜表征了这一过程。最后，通过循环伏安电化学法和电敏感原子力显微镜的导电模式对其进行电学性质测试。结果表明这层单分子膜可以提高硅片的介电常数。同时还观察到了一种不稳定的类似负微分电流现象。     

端不饱和羧基环氧丙烷聚醚与苯乙烯共聚物的微相分离

用端乙烯基液体聚合物作单体可制得各种多嵌段多相聚合物.本文在端不饱和羧基环氧丙烷液体聚醚与苯乙烯共聚物互溶性研究的基础上,对分子运动进行了进一步的研究.用膨胀仪、红外、应力-应变和DSC确定和测定其中的组分分离运动,阐述组分分离对互溶性的影响.