二氯化二(2-氨基甲基吡啶)(二水)合镍的晶体结构表征及其与瓜环的主客体相互作用

以氯化镍与2-氨基甲基吡啶反应合成了配合物二氯化二(2-氨基甲基吡啶)(二水)合镍([Ni(2-ampy)2·(H2O)2]·Cl2).利用IR光谱、X-射线单晶衍射技术对其结构进行表征.通过荧光光谱研究了配合物与六、七、八元瓜环的相互作用.结果表明六、七、八元瓜环与配合物形成包结比为1:1的配合物.稳定常数为103数量级.     

2,6-二甲基-N-庚烷基吗啉与瓜环作用的~1HNMR分析

合成制备了2,6-二甲基-N-庚烷基吗啉及其盐酸盐客体分子,利用1H NMR考察了对称四甲基六元瓜环、七元瓜环以及八元瓜环与2,6-二甲基-N-庚烷基吗啉及盐酸盐的相互作用,结果表明上述瓜环均能与2,6-二甲基-N-庚烷基吗啉及其盐酸盐发生相互作用,并选择性包结烷基部分,形成主客体包结配合物。     

苯胺盐酸盐与瓜环主客体包结物的晶体结构

用X射线单晶衍射方法研究六元瓜环和八元瓜环与苯胺盐酸盐的相互作用及其结构特征。从主客体包结配合物的晶体结构,可以看出苯胺的苯环进入了六元瓜环空腔,形成1：1包结配合物,两分子苯胺以相反的方向平行地进入八元瓜环空腔,形成了2：1包结配合物;表明苯胺与两种瓜环有不同的作用模式。     

瓜环与联苯胺衍生物主客体包结作用

本文用联苯胺和对吡啶甲醛为原料合成了1种联苯胺衍生物盐酸盐(客体).利用1H NMR和MASS方法进行标定,并利用1H NMR分析方法考察了客体盐酸盐分别与六、七、八元瓜环相互作用的结构特征,考察结果显示客体与六元瓜环形成1∶2的哑铃型包结物,与七元瓜环形成1∶1的棒锤型包结物,八元瓜环形成1∶1的类轮烷型包结物.     

八元瓜环与N,N'-二甲基-苯甲基-1,10-二氨基癸烷的自组装模式

设计、合成了具有多作用位点的长链分子N,N'-二甲基-苯甲基-1,10二氨基癸烷(N10)作为客体,利用1H NMR技术、紫外吸收光谱法以及荧光光谱法等手段考察了N10与八元瓜环(主体)的相互作用,以及形成的主客体包结配合物的结构特征。研究结果表明其作用模式为类轮烷型包结配合物和哑铃型包结配合物相互共存,这一特性在分子器件的制备方面具有潜在的应用前景。     

紫外吸收光谱法测定瓜环与喹啉衍生物包结物包结比

作者利用紫外吸收光谱法考察了七元、八元瓜环(Q[7、8])与喹啉、异喹啉、7一-甲基喹啉的相互作用。实验表明七元、八元瓜环对喹啉、异喹啉、7-甲基喹啉有包结作用，并用两种方法测定了主客体包结物的包结比及包结常数。     

八元瓜环与N-苄基六次甲基四胺盐酸盐包结配合物的二维核磁共振研究

利用1H NMR及二维核磁共振谱NOESY和ROESY,对八元瓜环(Q[8])与N-苄基六次甲基四胺盐酸盐(M)相互作用的模式进行考察,结果表明两者形成包结比为1∶2的主客体配合物,两个客体分子的苯环部分进入瓜环的腔内,而六次甲基四胺部分处于瓜环的两个端口。     

八元瓜环和盐酸小檗碱主客体分子包结模式的研究

利用半经验量子化学PM6算法对八元瓜环和盐酸小檗碱包结物的可能结构进行了理论计算。从2种可能结构分析主客体在包结物中的作用得出:盐酸小檗碱作为客体分子与主体八元瓜环通过不同官能团作用可形成稳定性不同的包结物,其中以盐酸小檗碱的异喹啉环插入到八元瓜环分子的腔体的模式最稳定。核磁氢谱的实验结果,证实了这一包结模式,同时也证实八元瓜环和盐酸小檗碱形成包结比为1∶1的包结配合物。     

对称四甲基六元瓜环与4-二甲胺基吡啶衍生物的自组装模式

利用1H NMR、质谱和紫外吸收光谱法考察了主体对称四甲基六元瓜环(TMeQ[6])与客体4-二甲胺基吡啶(DP)、N-丁基-4-二甲胺基吡啶碘化物(C4DP+)的自组装模式。结果表明,TMeQ[6]包结DP的吡啶环部分,而与C4DP+自组装时,则优先包结烷基链部分形成1∶1的类轮烷结构。     

七、八元瓜环对乙酰苯胺类化合物捕集作用的考察

本文在乙酰苯胺(g1)、乙酰乙酰苯胺(g2)稳定的pH范围内,利用紫外吸收光谱法、荧光光谱法及核磁共振技术考察了七、八瓜环与乙酰苯胺、乙酰乙酰苯胺的分子包结,实验表明七元瓜环与乙酰苯胺形成1∶1的包结配合物,八元瓜环与乙酰乙酰苯胺形成1∶1的包结配合物;并考察了体系pH值的影响.热力学研究表明主客体包结物的形成与瓜环空腔的疏水作用引起的熵变、焓变有关.     

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.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

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