聚呲咯的研究

本文研究了不同电化学氧化聚合条件下所得聚吡咯的红外光谱,X射线光电子能谱、元素分析、X射线衍射图及扫描电子显微镜图等。对聚吡咯的电导性、电导率的依赖性、化学结构及结晶性等进行了讨论。     

高效液相色谱二氮杂冠醚键合相的合成及性能研究

本文报道在硅胶表面进行固－液相反应，合成硅胶键合二氮杂冠醚高效液相色谱固定相。采用有机元素分析、热分析、红外光谱、金属离子的络合容量测定等对键合材料进行鉴定和表征，并对其色谱性能进行了研究。     

9-(2-Aryloxyethyl) Derivatives of Adenine - a New Class of Non-nucleosidic Antiviral Agents

New 9-(aryloxyalkyl) derivatives of adenine have been prepared by alkylation of adenine with tosylates, bromides, and -chloro ethers containing terminal aromatic fragments in anhydrous DMF in the presence of potassium carbonate. The compounds of the 9-(2-phenoxyethyl)adenine series appear to be highly reactive against cytomegaloviruses of mankind in vitro, while derivatives of 9-(2-benzyloxyethyl)adenine demonstrate anti-HIV-1 activity. Compounds with shorter or longer chains, and also compounds which do not have aromatic fragments at the ends of the chains, do not possess antiviral activity.     

Molecular structures and ab initio molecular orbital calculations of the optically active derivatives of 1-aminocyclopropane-1-carboxylic acid

The novel optically active derivatives of 2,2′-disubstituted-1-aminocyclopropane-1-carboxylic acid (−)-2 and (+)-3 were synthesised from the spiro-azlactone (+)-1. Oxidation of the diol moiety of (+)-3 gave by ring enlargement the racemic mixture of 2,3-dihydrofuran derivative (±)-6. This conversion is explained by stepwise rearrangement of the initially formed tetrasubstituted cyclopropanecarbaldehyde 4 through zwitterionic's reactive intermediate 5. The formation of (±)-6 is preferred energetically as established by ab initio calculations of the ground states and possible intermediates for that rearrangement. The crystal structure and absolute configuration of the compounds (+)-1, (−)-2, (+)-3 and (−)-7 were determined by single-crystal X-ray diffraction method. All four compounds possess Z-configuration of the cyclopropane ring. The dioxolane ring in the structures (+)-1 and (−)-2 adopts half-chair conformation, while the cyclopropane ring and geminally substituted groups in the structures (−)-2, (+)-3 and (−)-7 possess the anticlinal conformation. The molecules of the compound (+)-1 are connected by very weak intermolecular hydrogen bond of C-H?O type. In the compounds (−)-2, (+)-3 and (−)-7inter- and intramolecular hydrogen bonds of N-H?O type were observed. The spiro-compound (+)-1 exhibited a more pronounced inhibitory activity against the proliferation of murine leukemia and human T-lymphocytes cells than other type of tumor cell lines and normal human fibroblast cells.     

5-甲基-[(2E,6E)-3,7,11-三甲基-9-氧代十二碳二烯]苯醌和氢醌的首次全合成

以2-甲基对苯二酚和香叶基溴为起始原料, 经过酚羟基保护, 溴代, Li₂CuCl₄催化的芳基溴与Grignard试剂的偶联以及Julia偶联等一系列反应, 完成了裸鳃亚动物的代谢产物, 5-甲基-[(2E,6E)-3,7,11-三甲基-9-氧代十二碳二烯]苯醌(1)和氢醌(2)的首次全合成, 将1用NaBH₄还原, 得到(±)-3, (±)-3也是此类天然产物之一.     

(-)-（3S, 6R）-3, 6-羟基-10-甲基十一酸及其三聚体的全合成

以廉价易得的异戊基溴为起始原料,以烯丙基二异松莰烷基硼烷参与的不对称烯丙基化反应和Yamaguchi酯化反应为关键步骤,实现了对(-)-(3S,6R)-3,6-二羟基-10-甲基十一酸(总收率27.5％)及其三聚体(总收率24.5％)的不对称全合成。     

过冷熔体中枝晶生长的相场法数值模拟

利用相场法模拟了过冷纯金属熔体中的枝晶生长过程,研究了各向导性、界面动力学、热扩散和界面能对枝晶生长的影响.结果表明,热噪声可以促发侧向分支的形成,但不影响枝晶尖端的稳态行为;随着各向异性的增加,枝晶尖端生长速度增加,尖端半径减小;当界面动力学系数减小及在界面动力学系数小于1的条件下热扩散系数减小时,枝晶尖端生长速度随之减小,而尖端半径相应增大;界面能趋于增大枝晶尺度并保持界面在扰动下的稳定,界面能越大,形成侧向分支的趋势越小 关键词： 过冷 枝晶生长 相场法 数值模拟