部分取代苯定量结构-生物降解相关性(QSBR)研究

采用Ｃｈｅｍｓ３Ｄ中量子化学ＭＯＰＡＣ－ＡＭ１法计算了７种间苯胺类和８地苯酚的分子量高占有轨道能ＥＨＯＭＯ、分子最低空轨道能ＥＬＵＭＯ。用ＱＳＡＲ程序软件包查得分子体积Ｖｍ。结合分子连接性指数（＾３Ｘ,＾３Ｘ＾ｖ）对生物降解二级速率常数对数ｌｇＫｂ进行定量结构－生物降解相关性（ＱＳＢＲ）分析,通过回归分析,得到如下两个回归方程：ｌｇＫｂ＝－０．８３２－０．１１８Ｖｍ＋１．７４８＾３Ｘ＾ｖ,ｎ＝１５,Ｒ＾２＝０．８３２,ＳＥ＝０．５７７,Ｆ＝２９．７,ｐ＝０．０００。（１）ｌｇＫｂ＝０．１２４Ｖｍ＋１．７４９＾３Ｘ＾ｖ,ｎ＝１５,Ｒ＾２＝０．９９８,ＳＥ＝０．５５９１,Ｆ＝４１４８．９９,ｐ＝０．０００．（２）     

双核锰配合物的合成,表征和性质

报道了对称的八齿（Ｎ６Ｏ２型）双核配体Ｎ，Ｎ，Ｎ′，Ｎ′－四（２′－苯并咪唑甲基）－１，４－二乙氨基乙二醚（ＥＧＴＢ）及两种含锰（Ⅱ）双核配合物：（Ｍｎ２ＥＧＴＢ（ＯＡｃ）２）（ＢＰｈ２）．３Ｈ２Ｏ（Ｉ），（Ｍｎ２ＥＧＴＢ（ＯＡｃ）Ｃｌ）Ｃｌ２．２ＣＨ３ＯＨ．Ｈ２Ｏ（Ⅱ），对（Ｉ），（Ⅱ）进行了＾１ＨＮＭＲ，ＵＶ－Ｖｉｓ，摩尔电导，中远红外，ＥＳＴ和循环伏安研究，初步推测配合物（Ｉ）和（Ⅱ）分别具     

合成的具有天然锰矿晶型的MnO2的循环伏安研究

使用合成的钡镁锰矿（ＴＯＤＯＲＯＫＩＴＥ）、碱硬锰矿（ＨＯＬＬＡＮＤＩＴＥ）型的ＭｎＯ２及电解ＭｎＯ２修饰碳膏电极，报告了它们在＋１．０Ｖ￣－１．０Ｖ电压范围和０．１Ｍ ＫＣｌ溶液中的循环伏安图。Ｔｏｄｏｒｏｋｉｔｅ和ｈｏｌｌａｎｄｉｔｅ的循环伏安图相似，都没有显明的电流峰。而电解ＭｎＯ２的循环伏安图中，有两个阳极峰（＋０．１Ｖ，＋０．５ＶｖｓＳＣＥ）两个阴极峰（０．０Ｖ，－０．１５Ｖ ｖｓ ＳＸ     

Cryptomelane型材料的制备和表征

ＭｎＯ４＾－ｔ Ｍｎ＾２＋在酸性条件和一定温度下,用氧化还原方法制得了高结晶度的Ｃｒｙｐｔｏｍｅｌａｎｅ型锰氧化物。用Ｘ射线粉末衍射法（ＸＲＤ）、傅里叶红外光谱法（ＦＴ－ＩＲ）、热重－微商热重差热分析法（ＴＧ－ＤＴＧ／ＤＴＡ）、透射电子显微镜法（ＴＥＭ）等方法对它进行了表征。研究表明,该Ｃｒｙｐｔｏｍｅｌａｎｅ中可能存在两种不同热力学性质的Ｃｒｙｐｔｏｍｅｌａｎｅ,加热Ｃｒｙｐｔｏｍｅｌａｎｅ到６     

Banach空间值鞅的两种新型BMO空间和Sharp算子

借助于ｐ－条件均方算子和ｐ－均方算子,首先引入了Ｂａｎａｃｈ空间值鞅的两种新型ＢＭＯ空间ＢＭＯ＾σ（ｐ）（Ｘ）和ＢＭＯ＾Ｓ（ｐ）ｒ（Ｘ）以及两种新型ｓｈａｒｐ算子ｆ＾σ（ｐ）ｒ和ｆ＾ｓ（ｐ）ｒ,并且讨论了ＢＭＯ＾σ（ｐ）ｐ（Ｘ）与ＢＭＯ＾＋ｐ（Ｘ）,ＢＭＯ＾ｓ（ｐ）ｐ（Ｘ）与ＢＭＯｐ（Ｘ）的相互嵌入关系,以及ｆ＾σｐｐ与ｆ＾＃ｐ,ｆ＾ｓ（ｐ）ｐ与ｆ＾＃ｐ之间的凸Φ不等式,所得结果给出了Ｂａａｎｃｈ     

随机狄里克莱级数收敛性

在（Ｘｎ）独立，且满足Ｅ／Ｘｎ－ＥＸｎ／＾４≤∞条件下：（ｃ为一正数Ｖ为方差）用对称化方法和了随机狄里克莱级数∑ＸｎＥ＾λｎ＾ｓ在Ｌ２中收敛与ａ．ｓ．收敛等价性，并将∑Ｘｎｅ＾－λｎ＾ｓａ．ｓ．收敛性转化为级数∑Ｖ（Ｘｎ）ｅ＾－λｎ＾ｓ与∑ＥＸｎｅ＾－λｎ＾ｓ收敛性予以解决得到了新形式的瓦里隆公式，克诺普－柯基马公式及附带的有趣结果。     

三过氧铌钨磷杂多酸盐的合成表征及催化性能

合成了新的含三过氧铌的钨磷杂多酸盐：Ｍ４Ｈ２「ＰＷ９（ＮｂＯ）３Ｏ３７」Ｍ／Ｍｅ４Ｎ＾＋（ＴＭＡ）Ｅｔ４Ｎ＾＋（ＴＥＡ），Ｂｕ４Ｎ＾＋（ＴＢＡ），Ｈｅ４ｎ＾＋（ＴＨＡ）；三铌取代的钨磷酸盐：Ｍ６「ＰＷ９Ｎｂ３Ｏ４０」ｘＨ２Ｏ（Ｍ＝ＴＢＡ和Ｋ＾＋）．ＩＲ和ＵＶ光谱，极谱和循环伏安，     

Poisson分布的特征

证明了满足ＥＸ＝ＤＸ〈∞的具有非退化分布的母体Ｘ服从Ｐｏｉｓｓｏ７分布的充要条件是Ｔ２－Ｔ１关于Ｔ１有常回归,其中Ｔ１＝Ｘ＾－＝１／ｎΣｉ＝１ ｎ Ｘｉ,Ｔ２＝１／（ｎ－１）Σｉ＝１ ｎ（Ｘｉ－Ｘ＾－）＾２分别为子样均值和子样方差。     

合成的具有天然猛矿晶型的M_nO_2的循环伏安研究

使用合成的钡镁猛矿（ＴＯＤＯＲＯＫＩＴＥ），碱硬猛矿（ＨＯＬＬＡＮＤＩＴＥ）型的ＭｎＯ２及电解ＭｎＯ２修饰碳膏电极，报告了它们在＋０１Ｖ～－０１Ｖ电压范围和０１ＭＫＣｌ溶液中的循环伏安图。Ｔｏｄｏｒｏｋｉｔｅ和ｈｏｌａｎｄｉｔｅ的循环伏安图相似，都没有显明的电流峰。而电解ＭｎＯ２的循环伏安图中，有两个阳极峰（＋０１Ｖ，＋０５ＶｖｓＳＣＥ）两个阴极峰（００Ｖ，－０１５ＶｖｓＳＣＥ）。     

组氨酸的Keggin结构杂多金属氧酸盐的合成及性质研究

首次合成了组氨酸的Ｋｅｇｇｉｎ结构（ＸＭ１２Ｏ４０＾ｎ－,Ｘ＝Ｐ,Ｓｉ,Ｍ＝Ｗ,Ｍｏ）３种杂多金属氧酸盐化合物,用元素分析、ＩＲ、ＵＶ、ＴＧ－ＤＴＡ等方法对标事物进行了表征,结果表明该类化合物仍保持Ｋｅｇｇｉｎ结构、杂多酸阴离子和氨基酸靠静电作用相结合。     

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     

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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