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1.
利用Hansch方法,研究了具有2-吡咯烷基侧链的苯酰胺类化合物的苯环取代基结构与其活性的定量关系,结果表明:苯环R3位取代基的脂溶性、电性,R5位取代基的共振效应等均是影响化合物与多巴胺D2受体亲和力的因素。所得到的聚代基的综合结构效应对阐明D2受体-配体的相互作用机制及设计新的配体具有指导意义。  相似文献   

2.
本文报道了7种新二甲基取代苯基锍盐的合成,以取代苯硫酸或苯硫醚为原料,NgBF4-CH3I为烷基化试剂,1,2-二氯乙烷为溶剂室温实现S-甲基化反应.用1HNMR技术定量产物的收率,结果表明,反应均可定量完成,产率在98-100%之间.详细研究了合成产物的1HNMK和13CNMR谱,研究揭示,合成产物符合设计结构;给出了新取代基-S(CH3)2对苯环氢的1HNMR化学位移及对苯环碳的13CNMR化学位移影响常数,解释了其1HNMR谱及13CNMR谱吸收峰的归属.  相似文献   

3.
一取代联苯发生亲电取代反应时,当取代基为产生-I-C效应的吸电基或供电基在联苯环上4-位或2-位时,第二个取代基主要进入,未有取代基的苯环的邻位和对位,以对位为主。若取代基为产生-I〉+C效应的吸电基或供电基在联苯环上3-位时,第二个取代基主要进入有取代基的苯环的邻位和对位,以对位为主。  相似文献   

4.
三核混合金属簇化物ROCO2(CO)11与膦和胺配体的取代反应给出一系列具有一般通式为[RuCO2(CO)9或10L]的取代配合物(L=pph3,dppe,NEt3,TMEDA).记录和讨论了取代配合物的I.R.、UV—Vis和59CO、N.M.R.光谱.无论是膦配体还是胺配体的取代配合物的红外光谱γc-o都发生了红移.它们的红外光谱γc-o和59Co核磁共振谱都表明取代优先发生在钌原子上.  相似文献   

5.
本文用量子化学方法MNDO研究了没食子酸和它的甲酯、乙酯、雨酯、异丙酯、丁酯和叔丁酯的自由基的结构和自旋密度的关系以及自由基的相对稳定性.计算得出溶液中的分子构型的特点是:酯基RCH2-OCO-处于苯环的上方,酯基上的α氢原子的自旋密度因电子相关作用而增大.计算结果解释了它们的乙醇溶液的ESR偶合常数的比值和分裂峰数.  相似文献   

6.
通过肉桂醛取代的肉桂醛在碱性条件下与2-甲基-5-联苯基 唑缩合,合成了七种取代的2-(2’-取代乙烯基)乙烯基-5-联笨基 唑,测定了它们的熔点、紫外吸收光谱,并借助于IR、NMR研究了它们的顺、反结构.  相似文献   

7.
合成了在苯环2,5位带有不同取代基(CH3、CH3O、Cl、Br或H)的6种聚四芳基锰卟啉p-PolyT(2,5-2R)PPMnCl和m-PolyTPPMnCl,考察了它们催化PhIO氧化环己烷的性能,结果表明:这些聚四芳基锰卟啉具有显著的抗氧化稳定性,带供电子基的聚合物催化速度较快,选择性较好  相似文献   

8.
benztropine类多巴胺转运蛋白配体的QSAR研究   总被引:2,自引:1,他引:1  
利用Hansch方法,研究了37种benztropine类化合物diphenylmethoxy部位苯环取代基结构与其活性的定量关系,结果表明:苯环取代基的电性和体积等均是影响该类化合物与多巴胺转运蛋白亲和力的重要因素,所得到的benztropine类化合物diphenylmethoxy部位取代基的综合结构效应,对进一步研究该部位与多巴胺转运蛋白相互作用的电性和立体性质及设计新的多巴胺转运蛋白配体具有指导意义。  相似文献   

9.
合成了配体N-乙氧基-N-乙基氨荒酸钠(NOET)经元素分析NMR,IR和MS确证了其结构,采用SnCl2作还原剂,H2NNH-C-SCH3作N^3-给予体,经过配体交换两步法制备得到新型心肌灌注显像剂^99mTcN(NOET)2,经TLC检测标记物的放化纯度大于90%。  相似文献   

10.
本文报导了K〔FeⅢ(ida)2〕·3H2O(ida2-=氨基二乙酸根)配合物的合成及它的分子结构和晶体结构的测定.具体结果如下:正交晶系,Pbcn空间群,a=18.765(3),b=10.447(3),c=15.645(2),v=3067(1)3,单位晶胞中的分子数为8,Dc=1.78g·cm-3,Do=1.72g·cm-3,μ=1.314mm-1,F(000)=1688,对于2767个独立的衍射点,它的R和Rw值分别为0.052和0.047.其中〔FⅢ(ida)2〕-是一个N和N顺位的近似八面体结构.由此可知具有对称电子结构(high-spind5)的FeⅢ与被看成是edta4-(=乙二胺四乙酸根)去掉了CH2—CH2基团的双ida2-配体形成的配合物只能选择六配位的八面体结构  相似文献   

11.
The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3~4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰~ -7.8‰, PDB) and matrix dolomites (-6.6‰~ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084~0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078~0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.  相似文献   

12.
AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…  相似文献   

13.
本文叙述了对海南岛及其毗邻大陆边缘白垩纪到第四纪地层岩石进行古地磁研究的全部工作过程。通过分析岩石中剩余磁矢量的磁偏角及磁倾角的变化,提出海南岛白垩纪以来经历的构造演化模式如下:早期伴随顺时针旋转而向南迁移,后期伴随逆时针转动并向北运移。联系该地区及邻区的地质、地球物理资料,对海南岛上述的构造地体运动提出以下认识:北部湾内早期有一拉张作用,主要是该作用使湾内地壳显著伸长减薄,形成北部湾盆地。从而导致了海南岛的早期构造运动,而海南岛后期的构造运动则主要是受南海海底扩张的影响。海南地体运动规律的阐明对于了解北部湾油气盆地的形成演化有重要的理论和实际意义。  相似文献   

14.
Various applications relevant to the exciton dynamics,such as the organic solar cell,the large-area organic light-emitting diodes and the thermoelectricity,are operating under temperature gradient.The potential abnormal behavior of the exicton dynamics driven by the temperature difference may affect the efficiency and performance of the corresponding devices.In the above situations,the exciton dynamics under temperature difference is mixed with  相似文献   

15.
The elongation method,originally proposed by Imamura was further developed for many years in our group.As a method towards O(N)with high efficiency and high accuracy for any dimensional systems.This treatment designed for one-dimensional(ID)polymers is now available for three-dimensional(3D)systems,but geometry optimization is now possible only for 1D-systems.As an approach toward post-Hartree-Fock,it was also extended to  相似文献   

16.
17.
The explosive growth of the Internet and database applications has driven database to be more scalable and available, and able to support on-line scaling without interrupting service. To support more client's queries without downtime and degrading the response time, more nodes have to be scaled up while the database is running. This paper presents the overview of scalable and available database that satisfies the above characteristics. And we propose a novel on-line scaling method. Our method improves the existing on-line scaling method for fast response time and higher throughputs. Our proposed method reduces unnecessary network use, i.e. , we decrease the number of data copy by reusing the backup data. Also, our on-line scaling operation can be processed parallel by selecting adequate nodes as new node. Our performance study shows that our method results in significant reduction in data copy time.  相似文献   

18.
R-Tree is a good structure for spatial searching. But in this indexing structure,either the sequence of nodes in the same level or sequence of traveling these nodes when queries are made is random. Since the possibility that the object appears in different MBR which have the same parents node is different, if we make the subnode who has the most possibility be traveled first, the time cost will be decreased in most of the cases. In some case, the possibility of a point belong to a rectangle will shows direct proportion with the size of the rectangle. But this conclusion is based on an assumption that the objects are symmetrically distributing in the area and this assumption is not always coming into existence. Now we found a more direct parameter to scale the possibility and made a little change on the structure of R-tree, to increase the possibility of founding the satisfying answer in the front sub trees. We names this structure probability based arranged R-tree (PBAR-tree).  相似文献   

19.
The geographic information service is enabled by the advancements in general Web service technology and the focused efforts of the OGC in defining XML-based Web GIS service. Based on these models, this paper addresses the issue of services chaining,the process of combining or pipelining results from several interoperable GIS Web Services to create a customized solution. This paper presents a mediated chaining architecture in which a specific service takes responsibility for performing the process that describes a service chain. We designed the Spatial Information Process Language (SIPL) for dynamic modeling and describing the service chain, also a prototype of the Spatial Information Process Execution Engine (SIPEE) is implemented for executing processes written in SIPL. Discussion of measures to improve the functionality and performance of such system will be included.  相似文献   

20.
Advances in wireless technologies and positioning technologies and spread of wireless devices, an interest in LBS (Location Based Service) is arising. To provide location based service, tracking data should have been stored in moving object database management system (called MODBMS) with proper policies and managed efficiently. So the methods which acquire the location information at regular time intervals then, store and manage have been studied. In this paper, we suggest tracking data management techniques using topology that is corresponding to the moving path of moving object. In our techniques, we update the MODBMS when moving object arrived at a street intersection or a curved road which is represented as the node in topology and predict the location at past and future with attribute of topology and linear function. In this technique, location data that are corresponding to the node in topology are stored, thus reduce the number of update and amount of data. Also in case predicting the location,because topology are used as well as existing location information, accuracy for prediction is increased than applying linear function or spline function.  相似文献   

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