Theoretical Study on the Dark Oxidation Reaction Mechanism of Ethers

1 INTRODUCTION Ethers are a kind of organic compounds that are easily oxidized under the conditions of lacking light and any additional excitement. According to dif- ferent mechanisms, the oxidation reactions could be classified into two types: photooxidation reaction and dark oxidation reaction. The former is the reaction with excited state oxygen molecule (singlet state), while the latter is the reaction with ground state oxygen molecule (triple state) without illuminance or any exciter…     

线型碳链LiC_(2n)Li的结构和电子光谱的密度泛函理论研究

应用密度泛函理论,在B3LYP/6 31G(d)水平上优化得到了线型簇合物LiC2nLi(n=1 ~10,D∞h)的基态平衡几何构型,并计算了它们的谐振动频率.利用含时密度泛函理论,计算了簇合物LiC2nLi的X1∑ +g→11∑ +u跃迁的垂直激发能,以及相应的振子强度.基于计算结果,建立了跃迁能和体系大小n的解析关系式. 同时也计算了体系的第一绝热电离能,讨论了体系的电离能与体系大小n的关系.     

珊瑚中硼的分离及其同位素组成的测定

介绍了用硼特效树脂和阴、阳混合离子交换树脂相结合进行珊瑚中硼的分离和纯化方法，满足了正热电离质谱法测定硼同位素的要求，并且对几个珊瑚样品进行了硼的分离和硼同位素组成的测定，结果满意，为研究珊瑚中的硼同位素示踪古海洋环境变化提供了可能。     

The Chemical Speciation and Behavior of Mercury and Selenium in the Insoluble Fraction of Striped Dolphin Liver

Most of the mercury and selenium exist in the insoluble fraction of dolphin liver. After the insoluble fraction was digested by alkaline protease in the presence of 1% SDS, approximately 50% of Hg and Se consisted in the supernatant and the others in the residue. Gel filtration chromatography of the hydrolysate showed that 96% of Hg and 87% of Se were combined with the high molecular weight proteins stably, which cannot be substituted by the complex reagents.Mercury and selenium in the residue were confirmed as HgSe crystal.     

丙烯酸酯共聚物乳液自交联反应的研究

本文研究了含环氧基的丙烯酸酯四元共聚物乳液交联后的溶胀度、自交联反应及动力学.结果表明:交联共聚物的溶胀度Q随甲基丙烯酸环氧丙酯单体含量的增加而降低,共聚物在受热的情况下,环氧基因在羧基的作用下开环而发生交联反应,产生网状结构.     

EPM-g-GMA接枝率的测定及其增韧PBT的力学性能和形态结构研究

在同向双螺杆挤出机中通过熔融接枝反应制备了EPM g GMA ,将其与PBT在转矩流变仪中熔融共混可以获得增韧的PBT工程塑料 .实验中EPM g GMA接枝率的测定采用红外工作曲线法 ,选用CCl4 做溶剂以避免溶剂对样品吸收峰的干扰 .随着EPM g GMA接枝率的增加 ,PBT EPM g GMA的缺口冲击强度相应提高 ,共混物中EPM g GMA的粒径尺寸减小 ,当EPM g GMA的接枝率为 4 7mL 1 0 0gEPM时 ,EPM g GMA的粒径尺寸可达 0 5 μm ,PBT EPM g GMA的缺口冲击强度达到 5 1 6kJ m2 ,是纯PBT的 3 1倍     

蛋氨酸合成酶催化反应研究Ⅴ：5-氨基-6-（3-羟基-4-溴丁基）尿嘧啶的合成研究

报导了5-氨基-6-（3-丁烯基）尿嘧啶、5-氨基-6-（3-羟基-4-溴丁基）尿嘧 啶的合成方法。以γ-取代的β-酮脂和O-甲基异尿硫酸盐为超始物，经6-取代尿嘧 啶（3）、6-取代-5-偶氮尿嘧啶（4）和未见文献报道的中间体6，首次合成了5-氨 基-6-（3-丁烯基）尿嘧啶（5）及5-氨基-6-（3-羟基-4-溴丁基）尿嘧啶（7）。     

含松香骨架的新型手性季铵盐相转移催化剂的合成及其在不对称环氧化反应中的应用

以天然松香为原料合成了4个新型手性季铵盐类相转移催化剂, 并用于催化不对称查尔酮环氧化反应, 发现这类手性相转移催化剂可以有效地催化查尔酮的不对称环氧化, 环氧化产物ee最高达20%.     

Copper Promoted Au/ZnO-CuO Catalysts for Low Temperature Water-gas Shift Reaction

IntroductionThe water-gas shift(WGS)reaction is an impor-tant step in many important chemical processes[1].Re-cently,the renewed interest in the removal of CO bythe WGS reaction has grown significantly because of theincreasing attention to pure hydrogen p…     

Conformational Transformation Exhibited by the Peptide Extracted from Crystalline Region of Bombyx mori Silk Fibroin in Solid and Solution States

The conformational transformation of a 30-residue peptide H（Ala-Gly-Ser-Gly-AIa-Gly）5OH, i.e., （AGSGAG）5, extracted from highly crystalline region of Bombyx mori （B. mori） silk fibroin was described by using the high resolution solid state 13^C NMR, and CD spectroscopies. Based on the conformation-dependent 13^C NMR chemical shifts of the Ala, Gly and Ser residues and the line-shape analysis of the conformation sensitive Ala Cβ resonance, the peptide revealed a strong preference for silk Ⅱ structural form, i,e,, an antiparallel fl-sheet structure （φ= - 140±20°and ψ= 135±20°） in solid state. On the contrary, the CD spectra of this peptide in the two non-native hexafluorinated fibre spinning solvents, hexafluoroisopropanol （HFIP） and hexafluoroacetone （HFA）, exhibited the existence of an unusual tightly-folded conformation resembling 310-helix （φ=- 60±20° and ψ=-30±20°）, as judged from the R ratio of [θ]222/[θ]203 in HFIP solution, whereas a dynamically averaged unordered structure in HFA, Taken together, the information inclined to hypothesis that the primary structure of the highly crystalline regions of B. mori silk fibroin may be easily accessible to the large conformational changes, which in turn may be critical for facilitating the structural transformation from unprocessed silk fibroin （silk I form） to processed silk fiber （silk Ⅱform）.