Nonspecific medium effects versus specific group positioning in the antibody and albumin catalysis of the base-promoted ring-opening reactions of benzisoxazoles

The mechanisms by which solvents, antibodies, and albumins influence the rates of base-catalyzed reactions of benzisoxazoles have been explored theoretically. New experimental data on substituent effects and rates of reactions in several solvents, in an antibody, and in an albumin are reported. Quantum mechanical calculations were carried out for the reactions in water and acetonitrile, and docking of the transition state into a homology model of antibody 34E4 and an X-ray structure of human serum albumin was accomplished. A microenvironment made up of catalytic polar groups (glutamate in antibody 34E4 and lysine in human serum albumin) surrounded by relatively nonpolar groups is present in both catalytic proteins.     

Synthesis, crystal structure, and properties of MnNCN, the first carbodiimide of a magnetic transition metal

Synthesis, single-crystal structure determination, and magnetic properties are reported for manganese carbodiimide, MnNCN. The presumably unstable but inert phase adopts the trigonal system (R3m) with a = 3.3583(4) A, c = 14.347(2) A, V = 140.13(3) A3, and Z = 3. Divalent manganese is octahedrally coordinated by nitrogen atoms at 2.26 A, and the NCN(2-) unit adopts the linear [N=C=N](2-) carbodiimide shape with two C=N double bonds of 1.23 A. MnNCN contains high-spin Mn(II) with five unpaired electrons and behaves like an antiferromagnet with an ordering temperature below 30 K.     

Direct observation of eta 2-imine formation through beta-H abstraction between amide ligands. Neutron and X-ray diffraction structure of a dihydride imine ditantalum complex

Reactions of Ta(NMe2)5 with D2SiR'Ph (R' = Me, Ph) were found to give a dideuteride eta 2-imine complex (Me2N)3Ta(mu-D)2(mu-N-eta 2-N,C-CH2NMe)Ta(NMe2)3(1-d2) through C-H activation of an amide ligand via beta-H abstraction, and the structure of 1 was confirmed by single crystal neutron and X-ray diffraction.     

微量元素铜、锰与精神分裂症

应用等离子体发射光谱法（ＩＣＰ－ＡＥＳ）对精神分裂症急性期男病人４８例，女病人３０例和慢性期男病人５０例，女病人３０例，检测头发中Ｚｎ、Ｆｅ、Ｃｕ、Ｃａ、Ｍｎ５种元素，并与１５８名男女正常人作对照，发现无论是急性期还是慢性期，男女病人的Ｃｕ、Ｍｎ两元素的含量，均显著低于正常人（Ｐ＜０．０５～０．００１）．     

冠醚聚合物研究 Ⅲ.全硫冠醚聚合物的合成及其络合性能

本文报道了一类新型全硫冠醚聚合物的合成,即由聚环硫氯丙烷与二巯基化合物反应,生成具有冠醚环结构单元的交联型聚合物。并研究了这些聚合物的对金属离子的络合性能。     

Study of the relationship between the mechanical properties and processing for self-reinforced polymers: A kinetic model theory of tensile strength for self-reinforced polymers

In this paper, a new model theory of tensile strength for self-reinforced polymers is proposed. It is based on the theory of chemical activated rate and of strain-induced crystallization. A kinetic equation for bond rupture and molecular flow of the extended polymer chains was established by employing the coefficient of overstressed chain as variable. By integration and simplification, a new correlation between the tensile strength with the processing and testing conditions for self-reinforced polymers was derived from the theory. The dependence of tensile strength on the draw ratios of processing and on testing conditions was studied. The proposed theory was verified by the experimental data of poly(HDU and EUHD) crystals and Ultra High Molecular Weight of Polyethylene (UHMWPE) mechanical properties. Excellent agreement between the theory and experimental results was obtained.     

某些苯二醛类双Schiff碱及其双铜(Ⅱ)配合物研究

用2-甲氧基-5-氯-1,3-苯二甲醛与含有不同取代基团X的邻氨基酚缩合,合成了一系列双Schiff碱L-X(X=OMe,diMe,Me,t-Bu,H,Cl,NO_2),它们与乙酸铜(Ⅱ)作用生成了一系列的双核配合物Cu_2L-X(OEt).用红外、紫外、磁天平、顺磁共振等手段对配合物进行了表征,并通过量化计算(CNDO/2法)探讨了配合物的成键性质。研究结果表明,该类配合物是一个较大的共轭体系,配合物中Cu(Ⅱ).Cu(Ⅱ)之间有较强的反铁磁性交换作用,其共轭程度和交换作用强弱皆随X基团的不同而呈现某种变化规律。     

离子注入修饰电极检测硝基苯

离子注入是一种新技术，可按人们的意愿和需要，将不同的离子注入不同的基本电极表面，制成具有催化活性强，稳定性高，重现性好等特点的修饰电极。作者研究了离子注入钴和注入镍的玻碳电极在０．１ｍｏｌ／ＬＨＡｃ－ＮａＡｃ缓冲溶液中硝基苯的行为及测定。