脂肪醇物理化学性质的拓扑指数法研究

借助基团体积的贡献值和分子中各原子的支化度，写出分子的距离矩阵Di，由Di构建新拓扑指数五zi=ln(λmax λmid)；同时，引进分子的结构描述符Qc、有机性无机性比值OI，用多元线性回归关联脂肪醇的-lgS。-lgKow，RI，复相关系数均在0．99以上。     

A NEW DESCRIPA NEW DESCRIPTOR OF AMINO ACIDS BASED ON THE THREEDIMENSIONAL VECTOR OF ATOMIC INTERACTION FIELD

QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR) IS A VERY IMPORTANT TOPIC FOR MANY SCIENTIFIC FIELDS AND CAN BE TERMED AS QUANTITATIVE SEQUENCE ACTIVITY MODELS(QSAM)[1] WHEN REFERRED TO THE RESEARCH ON RELATION- SHIPS BETWEEN STRUCTURES AND ACTIVITIES OF BIOLOGICAL MOLECULES, SUCH AS PROTEINS, AND NUCLEIC ACIDS. HOW- EVER, IT IS VERY DIFFICULT TO ESTABLISH A QSAM MODEL,…     

韭菜凝集素的纯化及部分性质的研究

用葡聚糖凝胶柱层析法从韭菜的叶片组织分离出一种对新鲜兔红细胞有强烈凝集作用的凝集素，ＰＡＧＥ鉴定和高碘酸－Ｓｃｈｉｆｆ试剂反应均显单一条带。ＳＤＳ－ＰＡＧＥ分析表明该凝集素含有３个亚基，其相对分子质量分别约为３１０００、２４０００和２１０００。韭菜凝集素具有一定的热稳定性，在酸、碱处理中该凝集素对碱处理较酸处理稳定，氨基酸组成分析表明韭菜凝集素含有１４种氨基酸，其中半胱氨酸含量较高。     

YN相互作用和轻超核∧^5He结合能的计算

在手征SU(3)夸克模型基础上，用共振群方法，给出∧N相互作用的非定域位，并用于轻超核∧^5He的结合能的计算，得到了与实验和其他方法相近的结果．     

Sex pheromone of the pine sawflyDiprion pini (Hymenoptera: Diprionidae): Chemical identification,synthesis and biological activity

The main component of the sex pheromone secretion of femaleDiprion pini L. (Hymenoptera: Diprionidae) from insects collected both in Finland and in France has been identified as athreo-3,7-dimethyl-2-tridecanol (8 ng per female) stereoisomer by GC-MS and synthesis. The secretion also contains lower and higher homologues in small amounts (1–4% of the main component). Combined gas chromatographic-electroantennographic detection showed activity in both natural and esterified extracts (acetates and propionates); the esters of the main component gave the largest responses. The acetates and propionates of the eight stereoisomers of 3,7-dimethyl-2-tridecanol were synthesized from enantiomerically highly enriched (>99% ee) building blocks. The stereochemistry of the main component was established to be (2S,3R,7R)-3,7-dimethyl-2-tridecanol by GC analysis of the natural material. It was purified by liquid chromatography prior to the GC analysis of both its pentafluorobenzoates and its isopropylcarbamates on a non-chiral polar column (ECD) and a chiral column (NPD), respectively. Field tests demonstrated that both the acetate and propionate of the main component (100 g of each applied on cotton roll dispensers) were active in attracting males, with or without the presence of several of the minor compounds. Experiments with smaller amounts of the acetate and the propionate (1 g in France and 50 g in Finland) demonstrated that the propionate was more active than the acetate, and that it also caught more males than a blend of the two compounds.     

手性膦配体催化剂在不对称合成中的应用研究

本文详细介绍了手性膦配体催化剂在不对称羰基化、芳基化、烷基化、硅氢化中的催化反应,并提出了研究手性膦配体催化剂的方向和存在的主要问题.     

铜纳米粒子修饰碳糊电极测定氨基酸

采用铜纳米粒子(平均粒径d≈50nm)修饰的碳糊电极,实现了电化学方法在近中性(pH=8磷酸缓冲溶液)条件下对甘氨酸等15种氨基酸的定量测定,测定的线性范围(甘氨酸)为2.5×1-05~7.4×1-04mol.L-1,最低检测下限(甘氨酸)为2.5×1-06mol.L-1(S/σ>3).     

摩尔体积与脂肪醇水溶性的相关性

运用SPSS统计软件,采用多元线性回归方法,以摩尔体积Mv,碳原子个数N,及量化参数Q作为独立的变量,对脂肪醇在198 K下的水溶性的定量结构-性质关系作出预测模型.59种脂肪醇的-lgSw、-lgKow的线性系数为0.995以上,此法用摩尔体积Mv、碳原子个数Ⅳ及量化参数Q进行线性回归优于相应的文献方法.     

一种salen镍配合物的合成与晶体结构

合成和表征了一种新的salen镍配合物,并报道了其单晶衍射数据.化合物4:[NiC28H20Cl2N2O2]·CH2Cl2,M=631.00,单斜,P21/c,a=1.1086(2)nm,b=1.7521(4)nm,c=1.4819(3)nm,β=105.06(3)°,Z=4,V=2.779 5(10)nm3,Dc=1.508 g/cm3,R1=0.0531,R2=0.1136.     

氨基酸N-羧酸内酸酐与胺反应的位阻效应

研究了σ-氨基酸的N-羧酸内酸酐(4-烷善2，5-二氧代噁唑啉)与胺缩合反应．用L-苯丙氨酸．L-缬氨酸，L-亮氨酸制得相应的N-羧酸内酸酐．并分别与二乙胺．叔丁胺．异丙胺．正丁胺反应．正丁胺与N-羧酸内酸酐仅分离得到酰胺，而叔丁胺或异丙胺得到的是脲酸和酰胺的混合物．二乙胺与N-羧酸内酸酐反应则仅得到脲酸衍生物．产率大于80％，具有制备价值．发现N-羧酸内酸酐4位取代基的位阻效应对反应的区域选择性具有一定的导向作用．大位阻基团导致产物中脲衍生物比例增加．