1-苯基-3-甲基-4-苯甲酰基-吡唑啉酮-5(HPMBP)合钴(II)配合物的合成及晶体结构

合成了 1 -苯基 - 3-甲基 - 4 -苯甲酰基 -吡唑啉酮 - 5 (HPMBP)合钴 (II)化合物 ,并进行了元素分析和红外光谱表征 ,用 X射线衍射方法测定了其晶体结构 .晶体属单斜晶系 ,空间群P2 1 / c,a=1 1 .2 5 9(4) ,b=1 4.784(5 ) ,c=1 1 .6 0 7(4) ,β=1 0 7.1 5 7(7) ,V=30 39.43 3,Z=2 ,Dc=0 .76 9g·cm- 3,F(0 0 0 ) =1 384,最终偏离因子 R=0 .0 993,金属 Co(II)原子与PMBP- 及乙醇中的氧原子配位形成八面体构型 .     

无水溴化锌催化合成反-4-苯乙烯基吡啶

以甲苯为溶剂,无水溴化锌为催化剂,苯甲醛与4-甲基吡啶进行缩合反应生成了反-4-苯乙烯基吡啶.最佳反应条件是,苯甲醛与4-甲基吡啶物质的量的比为1.0∶1.5,无水溴化锌与苯甲醛物质的量比为2.0∶3.0,反应温度为85℃,产物收率为68.32%.研究还发现,在相同条件下,以无水氯化锌为催化剂,可以得到一种晶体(4-甲基吡啶)氯化锌,X-单晶衍射分析表明,该晶体属单斜晶系,空间群为P2(1)/c,晶胞参数为a=1.434 1(4)nm,b=0.789 3(4)nm,c=1.350 4(9)nm,β=100.656 0(10)°,晶胞内分子数为4.作为配体4-甲基吡啶不与苯甲醛发生缩合反应.     

1-(4-甲基苄基)哌啶-4-酮-6-氯吡啶-3-甲基肟醚的合成、单晶结构分析以及生物活性的测定

通过1-(4-甲基苄基)哌啶-4-酮肟醚与2-氯-5-氯甲基吡啶的亲核取代反应合成了一个未见文献报道的化合物:1-(4-甲基苄基)哌啶-4-酮-6-氯吡啶-3-甲基肟醚.目标化合物的结构经过元素分析、IR、1H MNR及单晶X-射线衍射测定确定.该单晶属于单斜晶系,空间群为P2(1),a=9.486(6),b=6.317(4),c=15.027(10),α=90,β=93.178(8),γ=90°,V=899.0(10)3,Z=2,Dc=1.270 g/cm3,μ=0.223 mm-1,Mr=343.85,F(000)=364,S=1.019,R=0.0732以及wR=0.1902.目标化合物的结构是非平面的,哌啶环是一个椅式结构.哌啶环与苯环的二面角为86.1(9)°.此单晶中没有分子内和分子间氢键的存在.初步杀菌活性测试表明,在浓度为1×10-4时该化合物有广谱的的杀菌活性.     

2,7-双(4-安替吡啉偶氮)变色酸的合成及测定铜(Ⅱ)的研究

合成了 2 ,7-双 ( 4-安替吡啉偶氮 )变色酸 ,探讨该试剂与铜 (Ⅱ )显色的适宜条件及其共存离予的影响 ,建立了运用该试剂测定铜的显色反应体系 .在pH10 0 - 11 7范围内 ,铜 (Ⅱ )与新试剂形成 1∶1的稳定配合物 ,最大吸收峰 5 90nm ,表观摩尔消光系数 =5 1× 10 4 L .mol-1.cm-1.铜的浓度在 0～ 3 0 μg/ 2 5mL范围符合比尔定律 .方法用于粗铅中铜的测定 ,结果令人满意     

2-羟基-4-磺酰氨基苯-3-(4-硝基苯)-三氮烯的合成及与镉的显色反应

合成了新的三氮烯试剂--2-羟基-4-磺酰氨基苯-3-(4-硝基苯)-三氮烯,并研究了其在Triton X-100表面活性剂存在下与镉的显色反应.在pH=11.0～12.0的Na2B4O7-NaOH缓冲溶液中,该试剂与镉形成3:1型浅黄色配合物,配合物的最大吸收峰位于λ=535 nm处,表观摩尔吸光系数为1.46×105L·mol-1·cm-1,ρ(Cd2 )在0～480μg/L时符合比尔定律.用拟定方法测定废水中的微量镉,结果满意.     

钴(Ⅱ)-5-(4-磺基-1-萘偶氮)-8-羟基喹啉-OP 显色体系的分光光度法研究及应用

本文研究了5-(4-磺基-1-荼偶氮)-8-羟基喹啉在表面活性剂 OP 存在下与钴(Ⅱ)的显色反应的条件。试验结果表明,在 pH5. 6～6. 6的 KH_2PO_4-NaOH 缓冲溶液和 OP 存在下,钴(Ⅱ)与该试剂能形成稳定的红色配合物。其λ_(max)=510nm,ε_(510) =6. 69×10~4L·mol~(-1) ·cm~(-1) ,钴(Ⅱ)∶试剂=1∶3,钴(Ⅱ)含量在0～0. 7μg/ml 范围内符合比尔定律。本文所拟定的分析方法用于维生素 B_(12) 中微量钴的测定,获得满意结果。     

4-(2-吡啶偶氮)-间苯二酚光度法测定铜

研究铜与4-(2-吡啶偶氮)-间苯二酚(PAR)的显色反应.在pH=10的碱性介质中,二价铜离子与试剂形成1:2的红色络合物,最大吸收波长位于499nm处,表观摩尔吸光系数可达6.8×104L.mol-1.cm-1,含铜量在0-25μg/25mL范围遵守比耳定律,本法可应用于天然水中微量铜的测定.     

4-二甲氨基苯甲醛缩4-氨基-4H-1,2,4-三唑的制备、晶体结构及理论计算

以4-氨基-4H-1,2,4-三唑和4-二甲氨基苯甲醛为原料,在乙酸溶液中制备了化合物4-二甲氨基苯甲醛缩4-氨基-4H-1,2,4-三唑并培养出单晶,化学式为C11H13N5,晶体结构由X-ray单晶衍射测定.晶体属单斜晶系,空间群P2(1)/n,晶体学参数:a=10.365 5(16),b=11.158 5(19),c=9.524 8(12),β=90.257 0(10)°,V=1 101.8(3)3,Z=4,D c=1.298,F(000)=456,μ=0.084 mm-1,R1=0.079 0,wR2=0.118 6,可观测衍射点有1183个.采用密度泛函DFT方法对目标化合物进行了计算,对实验结果进行预测和比较,计算了化合物的几何构型和前线轨道,量化计算结果很好地佐证了晶体结构.     

新显色剂HSNPT的合成及其与铜的光度性能研究

合成了新显色剂2-羟基-4-磺酰氨基苯-3-(4-硝基苯)-三氮烯(HSNPT),并对HSNPT与铜的显色反应进行了研究.结果表明:在表面活性剂TX-100存在下,在pH=11.0的Na2B4O7-NaOH缓冲溶液中,HSNPT与铜形成配合比为3:1型淡黄色配合物.配合物最大负吸收峰位于535nm处,表观摩尔吸光系数为1.60×105L·mol-1·cm-1.Cu2 的浓度在25mL中0～12μg范围内符合比尔定律.     

4-甲氧基二苯甲酰基甲烷的合成研究

以苯甲醛、4 甲氧基苯乙酮为原料,经缩合,加成,成环,水解四步反应合成了4 甲氧基二苯甲酰基甲烷.较系统地研究了反应温度,反应时间,催化剂用量对产品收率的影响.实验表明:苯亚甲基4 甲氧基苯乙酮(Ⅰ)用甲醇作溶剂,NaOH(ωNaOH=10%)作催化剂,反应温度50～55℃,反应时间50min时收率可达92%.4 甲氧基二苯甲酰基甲烷(Ⅱ)用二甲苯作溶剂,0.08mol的CH3ONa/CH3OH(ωCH3ONa/CH3OH=30.0%)和HCl(ωHCl=37.0%)作催化剂,加成,成环,水解反应时间为1h,1h,2h;反应温度为48～50℃,80℃,80℃时收率达58%.产品总收率为53.4%.     

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.     

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.     

A computer generator for randomly layered structures

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

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。     

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     

《Chinese Science Bulletin》SUBJECT INDEX TO VOLUME 59(2014)

正~~     

An on-line scaling method for improving scalability of a database cluster

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.     

An improved R-tree based on childnode''s probability

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).     

Integrating GIS Web services based on mediating architecture

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.