FeCl3·6H2O催化合成2,3-二取代-1,3-苯并噁嗪及其杀菌活性

以2-(胺甲基)苯酚和取代苯甲醛为原料,首次以FeCl3·6H2O为催化剂合成了一系列2,3-二取代-1,3-苯并噁嗪,所合成化合物的结构用IR、1H NMR、13C NMR进行了分析与鉴定.采用离体法初步测试了目标化合物的杀菌活性,大部分化合物具有良好的杀菌活性,化合物3c对灰霉病菌的抑制率为86.8%,3f对纹枯病菌的抑制率为87.7%.     

2,3-二芳基-1,3-苯并噁嗪的合成及对利什曼原虫CYP51活性的初步研究

首次对2-(2-硝基苯基)-3-(4-甲基苯基)-1,3-苯并噁嗪(1)与利什曼原虫CYP51的相互作用进行了初步研究,发现化合物1对利什曼原虫CYP51表现出较强的抑制活性,且作用方式类似于底物与利什曼原虫CYP51的I型结合方式.该研究不仅发现了一种新型非唑类针对利什曼原虫CYP51的抑制剂:1,3-苯并噁嗪,而且也为创制新型作用方式的CYP51抑制剂研究提供了依据.     

二胺型苯并噁嗪化合物的合成、结构表征与热性能分析

以三种酚类化合物、4,4’－二氨基二苯砜和甲醛为原料,以二氧六环为溶剂制备了化学结构不同的噁嗪化合物,分别为3,3’－二苯砜-双（3,4＋二氢-2H-1,3-萘并噁嗪）、3,3,-二苯砜-双（3,4-二氢-2H-1,3-苯并噁嗪）、3,3’-二苯砜-双（6-苯基-3,4-二氢-2H-1,3-苯并噁嗪）。并用^1HNMR、FTIR方法确定了其化学结构。采用示差扫描量热分析（DSC）对噁嗪化合物的热行为和性能进行了分析。结果表明,不同化学结构的噁嗪化合物固化产物的热性能不同,3,3’-二苯砜-双（3,4-二氢-2H-1,3-苯并噁嗪）的固化产物具有相对较高的Tg,为212．10℃。     

1,3-偶极环加成反应合成螺[吲哚嗪-异噁唑啉]类化合物

环外亚甲基化合物与腈氧化物的1,3-偶极环加成反应是合成螺异噁唑啉类化合物的重要方法之一,通过7-芳亚甲基苯基-6,7-二氢吲哚嗪-8(5H)-酮1与2,6-二氯苯腈氧化物2的1,3-偶极环加成反应以中等收率合成了一系列新的螺异噁唑啉类化合物3.所有产物均经IR、NMR、质谱以及元素分析确定了其结构.     

2-芳基苯并[1,3]噁噻烷-4-酮衍生物的微波促进合成及抗菌活性

以芳醛和硫代水杨酸为原料,微波辐射5分钟,合成了2-芳基苯并[1,3]噁噻烷-4-酮衍生物,该反应具有时间短、操作简便、收率高等优点.目标化合物通过IR、NMR、MS和元素分析等方法确定结构.初步测试了化合物对大肠杆菌和痢疾杆菌的抑制活性.结果表明:2-芳基苯并[1,3]噁噻烷-4-酮衍生物有明显地抑菌作用.     

金(Ⅰ)配合物室温催化三组分反应构建多取代吡咯衍生物

在室温条件下,以金(Ⅰ)配合物为催化剂,在乙醇溶剂中通过"一锅法"有效地催化取代β-硝基苯乙烯、芳香伯胺和1,3-二羰基化合物以63%～82%收率合成多取代吡咯衍生物。产物的结构经~1H NMR、~(13)C NMR和HRMS确证,其中化合物1-(1-(4-溴苯基)-2-甲基-4-苯基-1H-吡咯-3-基)乙酮的结构经X射线单晶衍射进一步确认。该方法具有合成原料易得、反应条件温和、高选择性等优点,是一种合成多取代吡咯衍生物的新途径。     

金(I)配合物室温催化三组分反应构建多取代吡咯衍生物

在室温条件下,以金(I) 配合物为催化剂,在乙醇溶剂中通过“一锅法”有效地催化取代β-硝基苯乙烯、芳香伯胺和1,3-二羰基化合物以63% ~ 82%收率合成多取代吡咯衍生物。产物的结构经1H NMR, 13C NMR和HRMS确证,其中化合物1-(1-(4-溴苯基)-2-甲基-4-苯基-1H-吡咯-3-基)乙酮的结构经X 射线单晶衍射进一步确认。该方法具有合成原料易得,反应条件温和,高选择性等优点,是一种合成多取代吡咯衍生物的新途径。     

含偶氮苯和1,3,4-噁二唑基团化合物的合成及光响应性能

以间苯二甲酸为原料,经过多步合成了1种含偶氮苯和1,3,4-噁二唑基团化合物5-[4-(十六烷氧基)苯基偶氮-]1,3-苯基-二-(1,3,4-噁二唑硫基)乙酸甲酯(8),利用IR、UV-vis、1 H NMR对其结构进行表征.该化合物四氢呋喃溶液紫外光谱中,偶氮苯结构K带的最大吸收波长为360nm,摩尔吸光系数ε为27 476L.mol-1.cm-1.在365nm紫外光照射下,偶氮苯基团发生反-顺异构化,照射5min后达到光稳态,光稳态时偶氮苯基团光致反顺异构化速率常数kp为1.338 9min-1,反式异构体转化效率R为80.95%,顺式异构体比例Y为84.99%,光稳态时偶氮苯K带最大吸收波长由360nm蓝移至326nm,将其置于暗室中,35h后恢复到光照前状态.     

一种马来酰亚胺双酚A型苯并噁嗪的合成研究

以顺丁烯二酸酐、对硝基苯胺、甲醛、双酚A为原料,采用多步反应经中间产物N-(4-硝基苯基)马来酰亚胺(NPMI)、N-(4-氨基苯基)马来酰亚胺(APMI)、1,3,5-三(4-(马来酰亚胺)苯基)-1,3,5-三嗪(TMIPT)等最终合成出双(2,4-二氢-2H-3-(4-N-马来酰亚胺)苯基-1,3-苯并嗯嗪)异丙...     

一种苯并噁嗪衍生物的合成与NMR结构分析

以丹皮酚为原料,通过三步反应成功合成一种苯并噁嗪类化合物,该合成方法简便,产率高,方便提纯.另外,利用1H NMR、13C NMR结合2D NMR(HSQC和HMBC)对该化合物的结构进行了全解析.     

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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