水溶液中6-氨基-4-(4-氰基苯甲醛)-1,4-二氢-3-甲基-1-苯基吡喃并[2,3-c]吡唑-5-腈的合成与晶体结构

水溶剂中,在三乙基苄基氯化铵(TEBA)存在下,由3-甲基-1-苯基-1H-吡唑-5(4H)-酮和4-(2, 2-二氰基)苯基氰合成并经N,N-二甲基甲酰胺(DMF)与95%乙醇的混合溶剂重结晶得到化合物C21H15N5O的晶体.其结构通过元素分析、IR 和1HNMR进行了表征,用X射线单晶衍射法测定了该化合物的晶体结构.结果表明,晶体属于三斜晶系,P-1空间群,a=1.291 1(2), b=1.368 7(3), c=1.418 0(2) nm, α=71.564(2)°, β=72.694(3)°, γ=69.926(2)°, Mr=353.38, V=2.182 0(7) nm3, Dc=1.076 g*cm-3, Z=4, μ(Mo Kα)=0.070 mm-1, F(000)=736.晶体结构用直接法解出,经全矩阵最小二乘法修正,最终偏离因子R=0.079 9, Rw=0.128 4.化合物分子中,原子C1,C2,C3,C4,C5 和O1形成一个六元环,该六元环中C1-C2键长为0.135 0(5) nm,表明为双键,此六元环为椅式构象.     

2-氨基-3-氰基-4-(2′,4′-二氯苯基) -4H-萘并[1,2-b]吡喃的合成和晶体结构

标题化合物C22H17Cl2NO3的晶体由α-乙氧羰基-2,4-二氯肉桂腈、β-萘酚在TEBA存在下合成并经DMF与水的混合溶剂重结晶而得.其结构通过元素分析、IR和1HNMR进行了表征,用X射线单晶衍射法测定了该化合物的晶体结构.结果表明,晶体属于单斜晶系, P21/n空间群, a=1.450 5(2) nm,b=0.903 7(1) nm,c=1.491 3(2) nm, α=90°,β=101.21(1)°, γ=90°, Mr=414.27,V=1.917 5(4) nm3,Dc=1.435 g*cm-3,Z=4, μ(MoKα)=0.362 mm-1,F(000)=856.晶体结构用直接法解出,经全矩阵最小二乘法修正,最终偏离因子R=0.044 44,RW=0.117 7.化合物分子中,原子C(1), C(2), C(3), C(4), C(5) 和O(1)形成一个六元环,该六元环中 C(1)C(2) 键长为0.134 6(3) nm ,表明为双键,此六元环为船式构象.     

2-氨基-3-氰基-4-(2’,4’-二氯苯基)-4H-萘并[1,2-b]吡喃的合成和晶体结构

标题化合物C22H17Cl2NO3的晶体由α-乙氧羰基-2,4-二氯肉桂腈、β-萘酚在TEBA存在下合成并经DMF与水的混合溶剂重结晶而得.其结构通过元素分析、IR和1HNMR进行了表征,用X射线单晶衍射法测定了该化合物的晶体结构.结果表明,晶体属于单斜晶系,P21/n空间群。a=1.450 5(2)nm,b=0.903 7(1)nm,c=1.491 3(2)nm,α=90°,β=101.21(1)°,γ=90°,Mr=414.27,V=1.917 5(4)nm3,Dc=1.435 g·cm-3,Z=4,μ(MoKα)=0.362 mm-1,F(000)=856.晶体结构用直接法解出,经全矩阵最小二乘法修正,最终偏离因子R=0.044 44,Rw=0.117 7.化合物分子中,原子C(1),C(2),C(3),C(4),C(5)和O(1)形成一个六元环,该六元环中C(1)-C(2)键长为0.134 6(3)nm,表明为双键.此六元环为船式构象.     

2—氨基—3—氰基—4—（2‘,4’—二氯苯基）—4H—萘并[1,2,—b]吡喃的合成与晶体结构

标题化合物C22H17Cl2NO3的晶体由α-乙氧羰基-2,4-二氯肉桂腈、β-萘酚在TEBA存在下合成并经DMF与水的混合溶剂重结晶而得.其结构通过元素分析、IR和1HNMR进行了表征,用X射线单晶衍射法测定了该化合物的晶体结构.结果表明,晶体属于单斜晶系, P21/n空间群, a=1.450 5(2) nm,b=0.903 7(1) nm,c=1.491 3(2) nm, α=90°,β=101.21(1)°, γ=90°, Mr=414.27,V=1.917 5(4) nm3,Dc=1.435 g*cm-3,Z=4, μ(MoKα)=0.362 mm-1,F(000)=856.晶体结构用直接法解出,经全矩阵最小二乘法修正,最终偏离因子R=0.044 44,RW=0.117 7.化合物分子中,原子C(1), C(2), C(3), C(4), C(5) 和O(1)形成一个六元环,该六元环中 C(1)C(2) 键长为0.134 6(3) nm ,表明为双键,此六元环为船式构象.     

2,2′-(4-硝基苯基)亚甲基双(3-羟基-5,5二甲基-2-环己烯-1-酮)的晶体结构

标题化合物C23H27NO6是由对硝基苯甲醛与5,5-二甲基-1,3-环己二酮在N,N-二甲基甲酰胺中反应而得.结构通过单晶X射线衍射法测定,其晶体属于正交晶系,空间群Pca2(1),a=1.296 5(3)nm,b=2.352 5(4)nm,c=2.807 8(5)nm,Mr=413.46,V=8.564(3)nm3,Dc=1.283 g.cm-3,Z=16,μ(Mo Kα)=0.093 mm-1,F(000)=3 520.晶体结构用直接法解出,采用全矩阵最小二乘法对原子参数进行修正,最终得偏离因子为R=0.048 3,Rw=0.118 2.在晶体结构中,存在着两个共轭的烯醇式结构.四个C O键长分别为0.126 3(7),0.130 5(8),0.127 6(7)和0.130 5(8)nm,呈现出明显的平均化趋势.     

2，2’-（4-硝基苯基）亚甲基双（3-羟基-5，5二甲基-2-环己烯-1-酮）的晶体结构

标题化合物C23H27NO6是由对硝基苯甲醛与5,5-二甲基-1,3-环己二酮在N,N-二甲基甲酰胺中反应而得.结构通过单晶X射线衍射法测定,其晶体属于正交晶系,空间群Pca2(1),a=1.296 5(3)nm,b=2.352 5(4)nm,c=2.807 8(5)nm,Mr=413.46,V=8.564(3)nm3,Dc=1.283 g·cm-3,Z=16,μ(Mo Kα)=0.093 mm-1,F(000)=3 520.晶体结构用直接法解出,采用全矩阵最小二乘法对原子参数进行修正,最终得偏离因子为R=0.048 3,Rw=0.118 2.在晶体结构中,存在着两个共轭的烯醇式结构.四个C-O键长分别为0.126 3(7),0.130 5(8),0.127 6(7)和0.130 5(8)nm,呈现出明显的平均化趋势.     

水杨醛缩N-对氨基苯基-2-乙基-3-羟基-4-吡啶酮席夫碱的合成与晶体结构

以N-对氨基苯基-2-乙基-3-羟基-4-吡啶酮和水杨醛为原料,合成了标题化合物席夫碱,并测定了它的晶体结构.其晶体属三斜晶系,空间群P-1,a=1.249 2(2),b=1.391 6(2),c=0.974 5(2)nm;β=93.742(2)°;Mr=334.36,V=1.690 4(2)nm3,Dc=1.314 g/cm3,Z=4,μ(Mo Kα)=0.089 mm-1,F(000)=704.晶体结构用直接法解出,使用全矩阵最小二乘法对原子参数进行修正,最后的偏离因子R=0.093 3,Rw=0.244 0.     

3-(4-硝基苯基)氨基-1H-吲哚-4(5H)-酮的简便合成及结构表征

以对甲氧基乙二醛一水合物、3-苯氨基-5,5-二甲基-2-环己烯-1-酮和4-硝基苯胺为原料,对甲苯磺酸为催化剂,在乙醇溶剂中,微波辐射下多组分一步法合成标题化合物C29H27N3O4.其结构通过单晶X射线衍射法确定,晶体属三斜晶系,空间群P1,Mr=481.54,晶胞参数:a=0.617 80(5)nm,b=1.291 04(11)nm,c=1.606 78(13)nm,V=1.237 45(18)nm3,Z=2,Dc=1.292 Mg·m-3,μ=0.087mm-1,F(000)=508.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子R=0.059 3,Rw=0.134 8.在晶体结构中新形成的吡咯环为芳构化的共平面结构.     

9，9-二甲基-12-（4-氯苯基）-8，9，10，12-四氢化-9H-苯并[a]吖啶-11-酮的合成和晶体结构

以N-(4-氯苯亚甲基)-2-萘胺和5,5-二甲基-1,3-环己二酮为原料,水作溶剂,在氯化三乙基苄基铵(TEBAC)催化下反应,得到标题化合物C25H22Cl2NO.结构通过单晶X射线衍射分析确定,其晶体属于单斜晶系,空间群P21/c,a=1.042 42(14)nm,b=1.177 7(2)nm,c=1.617 3(3)nm,β=91.024(5)°,Mr=387.89,V=1.985 1(5)nm3,Dc=1.298 g.cm-3,Z=4,μ(Mo Kα)=0.208 cm-1,F(000)=816.晶体结构用直接法解出,使用全矩阵最小二乘法对原子参数进行修正,最后的偏离因子R=0.057 1,Rw=0.118 6.     

4-(4-溴苯基)-9-(4-氯苯基)-2,3,6,7-四氢-6,6-甲基-4H-环戊并[b]喹啉-1,8(5H,9H)-二酮的合成和晶体结构

标题化合物是由4-氯苯甲醛、5,5-二甲基-3-(4-溴苯基)氨基-2-环己烯-1-酮和1,3-环戊二酮在离子液体中反应制得,并通过IR,1 HNMR,HRMS和元素分析加以表征.结构通过单晶X射线衍射分析确定,其晶体属于单斜晶系,空间群P2(1)/c,a=1.091 8(2)nm,b=3.325 5(7)nm,c=1.270 6(3)nm,β=96.89(3)°,Mr=993.63,V=4.579 7(16)nm3,Dc=1.441g/cm3,Z=4,μ(Mo Kα)=1.935cm-1,F(000)=2 032.晶体结构用直接法解出,使用全矩阵最小二乘法对原子参数进行修正,最后的偏离因子R1=0.098 3,wR2=0.167 5.     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

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.     

A computer generator for randomly layered structures

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

Perspherical Approaches for Electrons in Atoms and Charged Excitons in Quantum Wells

Instead of following Fock’s expansion,we solve the Schrodinger equation for some quantum mechanical manybody systems such as electrons in atoms and charged excitons in quantum wells in a similar way in hyperspherical coordinates by expanding the wave functions into orthonormal complete basis sets of the hyperspherical hannonics(HHs)of hyperangles and generalized Laguerre polynomials(GLPs)of the hyperradius.This leads the equation to     

Advances in broadband wireless communications under high-mobility scenarios

Future mobile communication systems aim at providing very high data transmission rates, even in high-mobility scenarios such as high-speed wheel-track trains, maglev trains, highway vehicles, airplanes, guided missiles or spacecraft. A particularly important commercial application is the strong and increasing worldwide demand for high- speed broadband wireless communications （up to 574.8 km/ h test speeds or 380 km/h commercial speeds） in railways, providing data, voice and video services for applications such as onboard entertainment services to passengers, train control, train dispatch, train sensor status handling and sur- veillance. In such high-mobility scenarios, there are a number of communication challenges, including fast hand- over, location updating, high-speed channel modeling, estimation and equalization, anti-Doppler spreading tech- niques, fast power control, and dedicated network architec- ture. Because signal transmission in very high-speed scenarios will inevitably experience serious deterioration, it is imperative to develop key broadband mobile communi- cation techniques for such high-speed vehicles.     

Wuhan University Journal of Natural Sciences TOTAL CONTENTS

<正>~~     

海南岛地体及其毗邻陆缘晚中生代—新生代古地磁研究和构造演化

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。     

Scale-based spatial data model for GIS

Being the primary media of geographical information and the elementary objects manipulated, almost all of maps adopt the layer-based model to represent geographic information in the existent GIS. However, it is difficult to extend the map represented in layer-based model. Furthermore, in Web-Based GIS, It is slow to transmit the spatial data for map viewing. In this paper, for solving the questions above, we have proposed a new method for representing the spatial data. That is scale-based model. In this model we represent maps in three levels: scale-view, block, and spatial object, and organize the maps in a set of map layers, named Scale-View, which associates some given scales.Lastly, a prototype Web-Based GIS using the proposed spatial data representation is described briefly.     

Exciton Seebeck in Molecular Systems

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     

Achieving Unusual States of Matter Under High Pressure

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