类水滑石主体层板与客体CO2-3、H2O间的超分子作用

通过构建类水滑石双层计算模型,采用混合密度泛函B3LYP/6-31G(d)//B3LYP/3-21G方法计算类水滑石(LDHs-CO3-yH2O)的结构与能量,探讨LDHs限域空间中客体阴离子及水分子的分布形态以及主客体超分子作用.计算结果表明,客体阴离子与水分子以平行层板的方式存在于水滑石层间.主客体发生作用时,CO2-3的HOMO轨道向层板的LUMO轨道转移电子.所形成的LDHs-CO3主客体作用要强于LDHs-F以及LDHs-Cl.与其离子交换性能相一致.水滑石去水结构(LDHs-CO3)水合过程,氢键作用较静电作用更占优势,并且layer-water型氢键要强于anion-water型氢键.此外,水合能计算表明LDHs水合具有一定的饱和量.     

微量元素锡与健康

随着经济的发展，锡及其化合物越来越多地用于现代生活。综述了锡对人体健康的影响，包括：锡的性质、存在，环境污染、抗癌作用以及毒性等方面。     

Synthesis and Characterization of Novel Polyimides Based on Pyridine-containing Diamine

A new aromatic diamine monomer containing pyridine unit, 2,6-bis （4-aminophenoxy- 4＇-benzoyl）pyridine（BABP）, was synthesized in three steps, starting from 2,6-pyridinedicarboxyl chloride. A series of novel pyridine-containing polyimides were prepared v/a the polycondensation of BABP with various aromatic dianhydrides through poly（amic acid） precursors, and thermal or chemical imidization of the precursors. The polyimides exhibit desirable properties, e.g., good solubility in N-methyl-2-pyrrolidone and m-cresol, excellent thermal stability and film-forming capability, as well as high inherent viscosity, indicating high molecular weight.     

Studies on Aggregation Interaction between Reduced Denatured Egg White Lysozymes during Refolding Procedure in Urea Solution

The aggregation interaction between reduced-denatured egg white lysozymes during refolding procedure in urea solution was studied by means of reducing and non-reducing protein electrophoreses. Results of non-reducing sodium dodecyl sulphate polyacrylamide gel electrophoresis （SDS-PAGE） of the supernatant and aggregate precipitate formed in refolding process show that except being refolded to native egg white lysozymes, the reduced-denatured lysozymes can also form the aggregates with molecular weights （MW） being separately about 30.0 and 35.0 kD, while the reducing SDS-PAGE and the refolding results in the presence of sodium dodecyl sulphate show that these aggregates are formed chiefly through the misconnection of disulfide bonds between the reduced-denatured lysozymes, and the aggregate precipitates are formed through the non-covalent interactions between the aggregates with molecular weight being about 30.0 kD. From the results of electrophoresis and size-exclusion chromatographic analyses, it can be inferred that the aggregates with molecular weights being about 30.0 and 35.0 kD are bi-molecular and tri-molecular egg white lysozyme aggregates, respectively. And finally, a suggested refolding mechanism of reduced-denatured egg white lysozymes in urea solution was presented.     

6-O-Sulfated Modification of Natural Glycoalkaloids Chaconine and Solanine

Introduction Glycoalkaloids(GAS)arepotentiallytoxicsecond aryplantmetabolitesfoundinpotatoes,tomatoesand eggplants[1].Someinvestigationshaveindicatedthat glycoalkaloidsmusthavebeenevolvedinnaturetopro tectplantsagainstbacteria,fungi,insects,andani mals.Th…     

三苯甲基醚直接转化成丙酮化合物的反应

介绍了一种新的高效的由三苯甲基醚直接生成丙酮化合物的方法, 也就是使三氟乙酸条件下脱三苯甲基的反应和生成丙酮化合物的反应在一个反应瓶中同时进行, 使脱三苯甲基作用后生成的醇继续反应得到高产率的丙酮化合物. 这种方法对于分子中同时含有对酸敏感的其他官能团的三苯甲基醚分子的脱保护非常有用.     

Synthesis and Characterization of Poly（butylene adipate-co-terephthalate） Catalyzed by Rare Earth Stearates

Rare earth （Nd, Y, La, Dy） stearates have been synthesized and used as single component catalysts for the polycondensation of dimethyl terephthalate, adipic acid and 1,4-butanediol for the first time preparing biodegradable poly（butylene adipate-co-terephthalate） （PBAT） with high molecular weight, The microstructures of PBAT were characterized by ^1H NMR spectra. The PBAT exhibits good mechanical properties such as high tensile strength （ca. 20 MPa） and long break elongation （〉700%）.     

STUDIES ON MACROPOROUS POLYMER SUPPORTED ASYMMETRIC HYDROGENATION CATALYSTS

The supported Rh-DIOP complexes were prepared through functionalization of several macroporous polystyrene resins nd were evaluated by the hydrogenation of acetamidocinnamic acid in EtOH.The pore effect of the matrixes was discussed.     

吡咯和呋喃气相质子化过程的密度泛函理论研究

Density functional theory and ab initio calculations have been used to determine structures and stabilities of the protonated aromatics species AH^＋ and AH2^2＋ （A=pyrrole, furan）. Possible mechanisms and relative energetics for protonation of pyrrole and furan by H3O^＋ and AH^＋ in the gas phase have been explored. Calculations show that the Cα-protonated species was the most stable structure for AH^＋, and the protonated AH^＋ might accommodate the second proton to yield AH2^2＋ if the free proton was available. The gas-phase H3O^＋ could protonate pyrrole and furan with significant exothermiCity and almost without barrier. The proton transfer from AH4^＋ to pyrrole and furan has a barrier ranging from 33.5 to 39.3 kJ/mol in the gas phase.     

笼形聚偕胺肟树脂的研究—酚处理对树脂吸附贵金属性能的影响

研究了笼形聚偕胺肟树脂（CAO）和酸式（ACAO）及碱式（BCAO）树脂对于苯酚、对-氨基酚、对-硝基酚、对-甲氨基酚和对-苯二酚的吸附和吸留作用，测定了酚处理树脂的中和当量。它反映了笼形树脂吸留外来物的特性。酚处理树脂有效地吸附Ag 、AuCl4－、PtCl62-、PdCl42-和IrCl62-等贵金属离子，吸附方式似乎与溶液的pH值有关。SEM观察表明，Ag 、Au－Cl4-和IrCl62-离子在吸附过程中被还原为零价态，在树脂表面生成形态各异的结晶。