N1-取代的3,4-二氢嘧啶酮衍生物的绿色合成及荧光性能

在80℃、无溶剂条件下,以六水氯化铝为催化剂,芳香醛、乙酰乙酸甲(乙)酯和单取代脲为原料,通过Biginelli"一锅法"合成了一系列N1-取代的3,4-二氢嘧啶-2(1H)-酮衍生物。考察了原料用量、催化剂用量和温度对反应结果的影响,确定了较佳反应条件为:n_((芳香醛))∶n_((乙酰乙酸酯))∶n_((单取代脲))=1∶1∶1.3,氯化铝用量5 mol%,反应温度80℃。产品结构经~1H NMR、~(13)C NMR、元素分析和X射线单晶衍射进行了表征。对目标化合物进行固态荧光光谱分析的结果显示,目标化合物具有良好的荧光性质,在373 nm的激发波长作用下,最大发射波长在450～500 nm之间。     

三乙酸甘油酯的合成研究

本文以强酸型阳离子交换树酯为催化剂,通过酯化反应合成了三乙酸甘油酯,并系统地研究了树脂型号及其用量,乙酸与甘油的摩尔比,反应时间等因素对合成三乙酸甘油酯产率的影响。从而确定了合成三乙酸甘油酯的反应条件。     

可膨胀石墨催化合成三乙酸甘油酯

以甘油和乙酸酐为原料、可膨胀石墨为催化剂合成了三乙酸甘油酯.研究了甘油和乙酸酐的摩尔比、催化剂用量、反应时间诸因素对产率的影响.实验结果表明可膨胀石墨是合成三乙酸甘油酯的良好催化剂.最佳反应条件:n(甘油):n(乙酸酐)=1:4.2,催化剂用量为反应物料总质量的1.5%,反应时间2 h,此条件下产率可达98.3%.     

超声辅助ZnCl2-水滑石催化合成嘧啶衍生物

以ZnCl_2-水滑石(LDH)为催化剂,芳香醛、尿素、乙酰乙酸乙酯为原料,乙醇做溶剂,"一锅法"常温下反应15 min合成6-甲基-2-氧代-4-苯基-1,2,3,4-四氢嘧啶-5-羧酸乙酯衍生物。通过单因素控制变量法,考察了催化剂种类、溶剂、催化剂用量、反应时间、温度及原料摩尔比对目标产物产率的影响。结果表明:在最优条件ZnCl_2-LDH催化剂用量为20%(以尿素质量为标准),超声反应15 min,反应温度为25℃,原料摩尔比n_((芳香醛))∶n_((尿素))∶n_((乙酰乙酸乙酯))=1.2∶1.0∶1.0时,产率为63.8%～91.2%。该催化剂可循环使用,循环3次后,产率仍有87.1%。     

水解稳定型硼酸酯表面活性剂的合成和表征

硼酸和甘油在阳离子交换树脂做催化剂的条件下反应合成硼酸甘油酯,反应转化率可达97%,。根据用KOH的乙醇溶液滴定得到的酸值,计算得出最佳产物的转化率能达到96.82%,。然后将生成的硼甘酯用环氧乙烷(EO)改性得到含有4个以上碳链的EO硼酸甘油酯,其水解稳定时间增加到48,h,说明其水解稳定性得到了改善。用红外谱图表征改性前后产物的结构进一步证明了最终产物就是含有C—O—C键的EO硼酸甘油酯。     

外推法测定甘油和硼酸反应平衡常数

探索了利用电位法[1]测定甘油和硼酸反应的平衡常数。在不同浓度下,甘油与硼酸反应生成硼酸甘油酯,通过电位法测定溶液的pH值,间接测定硼酸甘油酯的含量,通过逐步逼近法,外推到浓度接近零时的平衡常数,得到甘油与硼酸反应的平衡常数为K=3.0×1-0 9。     

单不饱和脂肪酸甘油酯的合成

本文对不饱和脂肪酸与甘油在不同条件下的直接酯化进行了对比研究,确立了单不饱和脂肪酸甘油酯合成的优化条件:弱酸催化剂,脂肪酸/甘油(摩尔比)1:3,反应温度250℃,反应时间3hr,酯化产物中单酯含量高达76.50％。     

十二烷基苯磺酸催化合成乙酸酯

以乙酸和醇(乙醇、正丁醇、苄醇、异戊醇)为原料,十二烷基苯磺酸(DBSA)为催化剂,采用正交试验方法合成了乙酸酯(乙酸乙酯、乙酸正丁酯、乙酸苄酯、乙酸异戊酯).研究了物料比、酯化时间、酯化温度和催化剂用量对酯化率的影响,确定了最佳合成工艺条件.结果表明,几种乙酸酯在最佳条件下的酯化率分别为:乙酸乙酯83.49%、乙酸正丁酯80.47%、乙酸苄酯78.39%、乙酸异戊酯81.57%.该方法操作简便、反应条件温和、收率较高、不加带水剂、绿色环保,具有良好的应用前景.     

双液相反应体系中脂肪酶催化拆分缩水甘油酯

利用脂肪酶作为催化剂在双液相反应体系中对外消旋缩水甘油酯进行立体选择性的酯水解反应. 考察了影响该拆分反应的因素， 确定了最适酶源为猪胰脂肪酶； 最适底物为缩水甘油丁酯； 其它最适反应条件： pH为7.6； 温度为27 ℃； 反应时间为4 h. 在最适 条件下， 当酶促拆分反应的转化率为60.6%时， 缩水甘油丁酯的光学纯度可以达到93.3%以 上.     

强酸性阳离子交换树脂催化合成甘油三乙酸酯的研究

以乙酸、甘油为原料，直接酯化合成甘油三乙酸酯，研究了反应温度、反应时间、原料配比、带水剂、催化剂用量等条件对合成反应的影响，确定了最佳工艺条件。该方法合成甘油三乙酸酯的最佳工艺条件是：反应温度92～98℃；反应时间5h；n(乙酸)：n(甘油)为4．5：1．0；催化剂用量为总物料质量的0．9％；带水剂苯用量为15mL(甘油为0．15mol的情况下)。甘油三乙酸酯的收率达到92．30％。催化剂不经处理可循环使用多次。该催化剂具有价廉易得、催化活性好、不腐蚀设备、无环境污染等优点。     

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)

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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.