2—硝基甲基噻唑4—羧酸乙酯的合成及与丙烯酰胺的缩合

２－溴代甲基噻唑－４－羧酸乙酸（Ⅱ）用ＮａＮＯ２或ＡｇＮＯ２硝化，得到２－硝基在噻唑－４－羧酸乙酯（Ⅲ），发现Ⅲ在ＤＭＳＯ中以酸式异构存在，在ＣＤＣｌ３中以假酸式存在，在Ｍｉｃｈａｅｌ加成条件下，（Ⅲ）与丙烯酰胺缩合，没有得到预期的产物２－「３’ｄ（３’－硝基丙酰胺）噻唑－４－羧酸乙酯（Ⅳ）而是得到相当于１，３－偶极加成产物，２－「３’５’－酰胺基二氢异恶唑基）」噻唑－４－羟酸乙酸（Ⅴ），讨论了砣     

1，4－双（1′－苯基－3′－甲基－5′－氧代吡唑－4′－基）丁二酮－〔1，4〕萃取稀土的研究

在硝酸介质中，研究了１，４－双（１′－苯基－３′－甲基－５′－氧代吡唑－４′－基）丁二酮－〔１，４〕（Ｈ２ＢＰＭＰＢＤ，记为Ｈ２Ａ）的氯仿溶液对ＲＥ３＋（ＲＥ＝Ｌａ，Ｐｒ，Ｎｄ，Ｇｄ，Ｙ，Ｄｙ）离子的萃取平衡．用斜率法和等摩尔系列法确定了萃合物的组成为ＲＥＢＰＭＰＢＤ·ＨＢＰＭＰＢＤ，测定了其半萃取ｐＨ值和萃合反应的热力学函数     

N－酰基－（R）－四氢噻唑－2－硫酮－4－羧酸乙酯的合成

在三乙胺存在下，使ＲＣＯＣｌ与（Ｒ）－四氢噻唑－２－硫酮－４－羧酸乙酯反应，得到相应的标题化合物ａ～ｆ，它们的［α］Ｄ分别为十１．４３，＋７．８，＋１．３１，－１１０．８，－４３．０，－４９．７９．实验可见，Ｒ为芳基的标题化合物的旋光度的绝对值较Ｒ为脂肪基的标题化合物的旋光度低．     

三聚氯氰存在下的（2－环己酮基）－β－丙酸与（R）－四氢噻唑－2－硫酮－4－羧酸酯反应

在三聚氯氰存在下，（２－环己酮基）－β－丙酸与（Ｒ）－四氢噻唑－２－硫酮－４－羧酸酯（甲酯、乙酯、正丁酯、正戊酯）反应，得到相应的Ｎ－（２－环己酮基）－β－丙酰－（Ｒ）－四氢噻唑－２－硫酮－４－羧酸酯１（ａ～ｄ），［α］＿Ｄ￣（２０）分别为－５０．３°，－５０．９°，－５０．０°，－７８．１°．１（ａ～ｃ）与Ｒ，Ｓ－α－苯乙胺反应得到了光学活性的Ｎ－（２－环己酮基）－β－丙酰－α－苯乙胺及Ｒ过量的α－苯乙胺．     

中药路路通化学成分的研究（Ⅰ）——一种新的五环三萜的结构测定

从生药路路通分离得到２个齐墩果烷骨架的五环三萜类化合物．通过１３ＣＮＭＲ，ＤＥＰＴ，１ＨＮＭＲ，２Ｄ１Ｈ－１３ＣＣＯＳＹ，２Ｄ１Ｈ－１ＨＣＯＳＹ，ＩＲ，ＭＳ和元素分析阐明了它们的结构．（１）为２α，３β－二羟基－２３－去甲－齐墩果－４（２４），１２（１３）－二烯－２８－羧酸，（２）为２α，３β，２３－三羟基齐墩果－１２（１３）－烯－２８－羧酸，（１）未见文献报道，（２）是首次从这一植物中分离得到     

钴（四氮杂环十四）络合物的结构对其电化学及电催化性质的影响

本文选择了３种具有不同配体结构的钴（四氖杂环十四）络合物：ＣＯ（Ⅲ）Ｃｙｃｌａｍ（１．４，８，１１－四氮杂环十四烷），ＣＯ（Ⅲ）－ＤＩＭ（２，３－二申基。１，４，８，１１－四氮杂环。（１，３）－二烯）和Ｃｏ（Ⅲ）－ＴＩＭ（２．３，９，１０－四甲基－１，４，８，１１－四氮杂环。［１，３．８，１０］－四烯）．研究平面配体（Ｎ４）结构的变化．主要是氮杂环不饱和程度的变化对３种络合物在酸性及中性溶液中电化学行为的影响，以及３种络合物在中性溶液中对还原的电催化活性。研究表明，随络合物中组杂环不饱和程度的增加．其配位场强度增强，络合物的自还原电位均向正的方向移动。大小顺序为：Ｃｏ（Ⅲ）－Ｃｙｃｌａｍ＜Ｃｏ（Ⅲ）－ＤＩＭ＜Ｃｏ（Ⅲ）－ＴＩＭ，而对还原的电催化活性则以Ｃｏ（Ⅲ）－Ｃｙｃｌａｍ最强，ＣＯ（Ⅲ）－ＤＩＭ次之，Ｃｏ（Ⅲ）－ＴＩＭ无明显的电催化活性。     

3－甲基－4－甲氧基－4’－硝基二苯乙烯的三阶非线性光学性质

在四氢呋喃溶液中测量了３－甲基－４－甲氧基－４’－硝基二苯乙烯（ＭＭＯＮＳ）的三阶非线性光学效应．发现其在１．０６μｍ处具有较大的非共振二阶非线性光学超极化率，并据此计算了其晶体的三阶非线性光学系数，χ（３）＝２．５２ｎｍ２／Ｖ２，与著名的ＰＩＳ同数量级．非线性光学响应时间小于５０ｐｓ，表明ＭＭＯＮＳ的非线性光学效应是由于分子中π－电子的极化引起的．此结果表明ＭＭＯＮＳ可能成为有价值的非线性光学材料．     

（R）－2－硫代四氢噻唑－4－羧酸甲酯的合成及消旋化

Ｌ－半胱氨酸甲酯盐酸盐和二硫化碳在三乙胺存在下反应，当摩尔比为１：１．５：２时，得到的（Ｒ）－２－硫代四氢噻唑－４－羧酸甲酯，产率８０％；摩尔比为１：１．５１３．５时，得到Ｒ，Ｓ－２－硫代四氢噻唑－４－羧酸甲酯。另外，由（Ｒ）－２－硫代四氢噻唑－４－羧酸与甲醇及二氯亚硫酰反应，也得到（Ｒ）－２－硫代四氢噻唑－４－羧酸甲酯，产率为９８％，     

3－（芳酰基乙基）－斯德酮的合成

报导了的３－（芳酰基乙基）－斯德酮的合成。其方法是：将芳香酮、甲醛与甘氨酸进行Ｍａｎｎｉｃｈ反应，得Ⅰ：Ａｒ─ＣＯ─ＣＨ２ＣＨ２ＮＨＣＨ２ＣＯＯＨ·ＨＣｌ；Ⅰ经亚硝化得Ⅱ：Ａｒ─ＣＯ─ＣＨ２ＣＨ２Ｎ（ＮＯ）ＣＨ２ＣＯＯＨ；Ⅱ用乙酸酐脱水环化，得Ⅲ，即３－（芳酰基乙基）－斯德酮．为验证Ⅲ的结构，将其进行溴化，得Ⅳ，即３－（芳酰基乙基）－４－溴－斯德酮。Ⅰ的部分化合物及Ⅱ，Ⅲ，Ⅳ皆为未见文献报导过的化合物，它们的结构经元素分析，ＩＲ，１ＨＮＭＲ，ＭＳ所证实。     

若干钒、铜异金属硫桥簇合物的红外光谱研究

采用红外光谱研究〔Ｖ２Ｓ６Ｏ２（ＣｕＰｐｈ３）４（Ｃｕ（ＭｅＣＮ））２〕·２（ＣＨ２Ｃｌ２）·２（ＰｒＯＨ）１－、〔ＶＳ４（ＣｕＰｐｈ３）４Ｂｒ〕·ＣＨ２Ｃｌ２２－和〔Ｖ２Ｓ６Ｏ２Ｃｕ６（３－ＭｅＰｙ）６３－簇合物．簇合物的结构特征和成键方式不同，在ν（Ｖ－Ｓ）和Ｐｐｈ３的δ（ｃｐｃ）的敏感振动模会有很大差别     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with     

Journal of Donghua University ( English Edition) Contents of Volume 31

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