双(三环己基锡)丁二酸酯的合成、晶体结构和抑菌性质

利用三环己基氢氧化锡和丁二酸在苯-乙醇中反应合成了双(三环己基锡)丁二酸酯(c-C6H11)3SnO2CCH2CH2CO2Sn(C6H11-c)3(1),通过元素分析、IR、1H NMR和X-射线单晶衍射分析确定了其结构.化合物1属三斜晶系,P-1空间群,a=0.9891(9), b=1.5402(8), c=2.1316(15) nm,α=78.55(3),β=82.39(3),γ=83.71(4)°, Z=3, V=3.143(4) nm3, R1=0.0503, wR2=0.1361.该化合物为锡原子具有4配位[SnC3O]畸变四面体构型的双核有机锡配合物,分子间通过Sn…O弱作用形成了链状三聚体超分子结构.化合物1对大肠杆菌和金黄色葡萄球菌均有较强的抑制作用     

新型类维A酸锡酯的合成、结构表征及其体外抗癌活性

用二正丁基氧化锡和类维生素A酸以摩尔比1∶2和1∶1反应,合成了两个系列的新型类维生素A酸二正丁基锡酯化合物3a~3d和4a~4d,并利用(1H,13C,119Sn)NMR和IR表征了这些化合物的结构,确定了化合物3a~3d是通过单齿配位形式与锡原子结合而成的五配位三角双锥型的配合物化合物,而化合物4a~4d的结构中存在着一个锡氧四元环,分子中的酯基为二齿配体,锡原子都是六配位扭曲八面体构型.生物活性测试表明:该类化合物对宫颈癌细胞(Hela)、肝癌细胞(LCC)、肺癌细胞(A549)等癌细胞都具有较好的抗癌活性.     

几种新型二烃基锡羧酸酯类化合物的合成与表征

以二氟碳基锡氧化物（n-C6F13CH2CH2）2SnO,二正丁基锡氧化物（n-C4H9）2SnO和不同结构的芳香羧酸ArCOOH为原料,较高产率（68％～95％）地合成了尚未见文献报道的7种二烃基锡羧酸酯类化合物,并对这些化合物进行了表征．这些化合物属于两种构型{[R2Sn（OOCAr）]2O}2（A）和R2Sn（OOCAr）2（B）,在这两类化合物（A）和（B）中,中心锡原子具有不同的配位形式和配位数．     

新型三环己基锡羧酸酯的合成和晶体结构

以苯做溶剂,以2,5-二羧基-1,4-苯二甲酸二乙酯为配体,与三环己基氢氧化锡进行脱水反应,合成了新型三环己基锡羧酸酯配合物1.采用元素分析、1H NMR、红外光谱及X射线衍射等手段对其进行了结构表征,结果表明:配合物1为三方晶系,空间群为R3,a=b=3.039 4(4) nm,c=1.5637(2) nm,α=β=90°,γ=120°,V=12.510(3) nm3,z=9,D(,)=1.248 g/cm3,μ=9.43 nm-1,F(000)=4 878,R1=0.045 2,ωR2=0.090 7.配合物1是Sn原子化学环境相同的对称结构,Sn原子与3个环己基碳原子和1个羧基氧原子成键,中心Sn原子为畸变四面体构型.分子间的O→ Sn(0.3172 nm)配位作用,形成三维网状堆积结构.     

1,4-环己二酸三烃基锡(Ⅳ)的合成及结构研究

用1,4-环己二酸分别与三苯基氯化锡,三甲基氯化锡,三丁基氯化锡,三苄基氯化锡反应,得到了[(Ph3Sn)2](C8H10)(COO)2]1,(Me3Sn)2[(C8H10)(COO)2]2,[(n-Bu)3Sn]2[(C8H10)(COO)2]3和[(PhCH2)3Sn]2[(C8H10)(COO)2]4四个新型的化合物,并通过元素分析、红外光谱和核磁共振氢谱对其结构进行了表征.其中化合物1还通过X-射线单晶衍射进行了表征.单晶结构表明配合物1是一个二锡核的单体三苯基锡化合物,在配合物1中羧酸配体上的两个羧基都参与了配位,中心锡原子都是扭曲的四配位的四面体构型.     

含S、N配位的三甲基锡铋试剂Ⅱ化合物的合成及结构表征

通过三甲基氯化锡与铋试剂Ⅱ（2,5-dimercapto-4-phenyl-1,3,4-thiodiazole）合成了一种新的化合物Me3Sn（S3N2C8H5）．并通过元素分析、1H NMR谱和X-射线单晶衍射对它进行了表征．结果表明：包括分子间的Sn…S弱作用在内,锡原子为五配位的三角双锥构型,而且分子间通过此作用形成了一维的无限链状结构．     

二正丁基锡二2-(2-甲氧基-4-甲酰基苯氧基) 乙酸酯的合成、晶体结构及杀菌活性

在苯溶液中,将2-(2-甲氧基-4-甲酰基苯氧基)乙酸与二正丁基氧化锡进行脱水反应,获得二正丁基锡二2-(2-甲氧基-4-甲酰基苯氧基)乙酸酯.经过元素分析、1H NMR和IR及晶体结构测定等手段对其进行了结构表征.结果表明该晶体结构属于三斜晶系:Pī空间群;晶胞参数a＝1.403 92(12) nm,b＝1.694 09(15) nm,c＝2.000 93(18) nm,α＝112.527 0(10)°,β＝96.879(2)°,γ＝100.041(2)°,Z＝2.合成化合物的中心Sn原子为五配位,构成以Sn为中心,扭曲的三角双锥构型,通过分子间氢键形成一维链状结构.杀菌活性顺序为:标题化合物＞二丁基氧化锡＞2-(2-甲氧基-4-甲酰基苯氧基)乙酸.     

二烃基锡N-(5-氯亚水杨醛基)-L-异亮氨酸酯的合成、结构及抑菌活性

利用二烃基二氯化锡和新制的N-(5-氯亚水杨醛基)-L-异亮氨酸反应合成了三个新的二烃基锡N-(5-氯亚水杨醛基)-L-异亮氨酸酯,R2Sn[2-O-5-C lC6H3CH=NCH(s-Bu)COO](R=Ph,1;c-C6H11,2;n-Bu,3),通过元素分析、IR、1H NMR及X-射线单晶衍射分析表征了其结构.化合物1属单斜晶系,P21空间群,中心锡原子具有畸变的三角双锥构型,与三齿配体形成了五元和六元两个螯合环.生物活性测试表明,合成的三种化合物对大肠杆菌和金黄色葡萄球菌均有良好的抑制作用.     

氢氧化氯化四苯基二锡氧烷二聚体的合成、结构与性质

二苯基二氯化锡在三乙胺的三氯甲烷溶液中部分水解生成标题化合物氢氧化氯化四苯基二锡氧烷二聚体[Ph2(Cl)SnOSnPh2(OH)]2,通过元素分析,红外光谱和X-射线单晶衍射法分析表明,该化合物属于三斜晶系,P-1空间群,a=1.0366(17)nm,b=1.0780(18)nm,c=1.1799(19)nm,α=77.635(2)°,β=66.227(2)°,γ=75.215(2)°,υ=1.1574(3)nm3,Z=1,Dc=1.763 g.cm3,μ=2.290 mm1,R1=0.0525,wR2=0.1121.整个分子是以Sn2O2四元环为中心的对称二聚体结构,两个锡原子为五配位的三角双锥构型.该化合物能较好地催化乙酰乙酸乙酯和醇的酯交换反应.     

基于2′，4′-二氟联苯基的新型1， 2， 4-三氮唑类化合物的合成及其抗真菌活性

依据药物分子设计原理,设计合成了以 2′, 4′-二氟代联苯基为分子骨架的新型1, 2, 4-三氮唑化合物.目标化合物分子结构经核磁共振氢谱(1H NMR )、碳谱(13C NMR)、高分辨质谱(HRMS-ESI)进行确证.测试了目标化合物的体外抗真菌活性,测试结果表明,目标化合物5d, 5e, 6a, 6b, 7c的抗真菌活性较好, 化合物5d, 6a对白色念珠菌的抑菌活性和酮康唑、氟康唑的抑菌活性相当,化合物5d, 5e, 6a, 7c对红色毛癣菌的抑菌活性接近酮康唑,优于氟康唑.     

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

正~~