Preparation of α,β-dehydro-β-amino acid derivatives by tin-promoted addition of malonates to simple nitriles

Simple aliphatic and aromatic nitriles undergo reaction with malonate esters in the presence of tin(IV) chloride to give derivatives of α,β-dehydro-β-amino acids. The same products are obtained through use of bromomalonate esters.     

Short intramolecular Diels-Alder approach to functionalized spiro[4.5]decanes

The intramolecular Diels-Alder reaction of a (5′-hexynyl)cyclopentadiene provides a 1,2-tetramethylene-bridged norbornadiene which undergoes selective monohydrogenation followed by ozonolysis to provide the title compounds.     

一水甲酸锂晶体二阶非线性光学系数的理论计算

采用有限场方法和含时耦合微扰方法,在6-31+G*基组水平上并考虑了电子相关效应和色散效应的影响,计算了一水甲酸锂晶体的宏观二阶非线性光学极化率和二阶非线性光学系数。其中非线性光学系数d31和d32与Roberts报道的相符,而另一个系数d33则比文献值大。计算结果还表明,在非共振情况下,电子相关效应对非线性光学极化率的影响远远超过了色散效应,同时表明Roberts报道的非线性光学系数比Singh等人报道的更为合理。     

Facile synthesis of substituted phenanthroline ligands by samarium-promoted coupling of phenanthroline with ketones

[formula: see text] 1,10-Phenanthroline undergoes coupling with ketones promoted by samarium diiodide to produce 2-(1-hydroxyalkyl)-1,10-phenanthrolines. O-Methylation of these derivatives provides the corresponding 2-(1-methoxyalkyl)phenanthrolines. Demethoxylation with samarium diiodide then affords 2-alkylphenanthrolines. This process may be repeated to obtain 2,9-disubstituted phenanthrolines. A variety of new, substituted phenanthrolines are thus obtained. These compounds have numerous potential applications as ligands in metal-promoted reactions, including asymmetric catalysis.     

LAP晶体二阶NLO响应电子起源理论研究

L-精氨酸磷酸盐(L-Arginine Phosphate Monohydrate, LAP)晶体，是一种有应用潜力的无机－有机杂化NLO晶体材料[1, 2]。Eimerl等人认为LAP晶体二阶NLO响应主要源于L-精氨酸分子(Arg )，磷酸根(H2PO4－)对LAP晶体宏观NLO响应没有重要贡献[2]；而许东等人认为，LAP晶体的NLO响应是由L-精氨酸分子和磷酸根共同贡献的结果[1]。本通讯通过第一原理从头算计算，揭示了LAP晶体二阶NLO响应的电子起源。 表1. 激发态性质 Table 1. The Excited States at CIS/STO-3G Level (Dmge in Debyes; l in nm; (rx)ge in au) States…     

Coupling of mixed finite elements and boundary elements

The symmetric coupling of mixed finite element and boundaryelement methods is analysed for a model interface problem withthe Laplacian. The coupling involves a further continuous ansatzfunction on the interface to link the discontinuous displacementfield to the necessarily continuous boundary ansatz function.Quasi-optimal a priori error estimates and sharp a posteriorierror estimates are established which justify adaptive mesh-refiningalgorithms. Numerical experiments prove the adaptive couplingas an efficient tool for the numerical treatment of transmissionproblems.     

158A GeV/c Pb+Pb碰撞可能有QGP的一旁证

用不含QGP假设的强子和弦级联模型(JPCIAE) ,研究了CERNWA98实验组新近发表的158 AGeV/c Pb+Pb中心碰撞中直接光子和π⁰粒子的横动量分布:两者的理论结果均一致的低于实验值.联系到JPCIAE能成功解释无直接光子超出确切迹象的WA80和WA93对200A GeV/c S+Au中心碰撞测量得出的结果:因而为158A GeV/c Pb+Pb中心碰撞中可能有QGP生成提供了一个旁证.     

ee0A GeV S+Au反应中光子产生的低横动量增强

用建立在LUND弦模型特别是PYTHIA事件产生器基础上的描写极端相对论性核一核碰撞的强子和弦级联模型—JPCIAE研究了入射能量为200A GeV的S+ Au中心碰撞中光子产生.模型同时考虑了部分子QCD散射过程、强子末态相互作用以及强子衰变等光子产生反应道并作了协调处理.JPCIAE模型计算结果很好再现了WA93实验数据所呈现的低横动量增强效应.     

酶促聚合与ATRP结合合成聚己内酯和聚N,N-二甲氨基甲基丙烯酸乙酯嵌段共聚物及其自组装

摘要：用化学酶法合成聚己内酯（PCL）和聚N,N-二甲氨基甲基丙烯酸乙酯（PDMAEMA）双亲嵌段聚合物（PCL-b-PDMAEMA）。通过核磁共振（1H NMR）,红外光谱仪(FTIR-IR),凝胶渗透色谱(GPC) 对其结构以及分子量与其分子量分布情况进行了表征。对聚合物的溶液性质进行了研究,结果表明：临界胶束浓度（CMC）嵌段聚合物中疏水链段增多有利于形成胶束,表现为CMC降低,并具有较高的热力学稳定性。PDMAEMA是PH和温度敏感材料,研究发现,在不同的温度和pH值条件下表现不同的聚集状态, 当聚合物的pH值降低时平均流体力学直径增加,温度升高平均流体力学直径降低。