吡唑甲醛缩N4-取代苯基氨(硫)脲化合物定量构效关系的量子化学研究

采用Gaussian98程序量子化学从头算方法对吡唑甲醛缩N^4-取代苯基氨(硫)脲化合物进行了量子化学计算．计算结果表明：此类化合物的抗溃疡作用和毒性作用与前线及近前线分子轨道能级及轨道构成有较好的线性关系．表明此类化合物在发挥生物活性时以给电子为主,吡唑环以及缩氨(硫)脲为此类化合物的生物活性区．     

N-（5-三氟甲基-1，3，4-噻二唑-2-基）-N＇-芳氧乙酰基硫脲的合成及其生物活性

通过2-氨基-5-三氟甲基-1，3，4-噻二唑与芳氧乙酰基异硫氰酸酯反应，合成了9个新的芳氧乙酰基硫脲，其结构用红外光谱、核磁共振氢谱和元素分析确证．初步的生物活性测试试验表明，部分目标化合物具有良好的植物生长调节活性，其中3b、3e、3i的生长素活性优良，3d、3e的细胞分裂素活性较好．三氟甲基增进了目标化合物的生物活性。     

新型N-甲氧基-N-苯基氨基甲酸酯类化合物的合成及生物活性研究

采用活性基团拼接原理合成了10个具有新型分子结构的N-甲氧基-N-2-{[2-甲基-取代苯亚胺甲基-硫亚甲基]苯基}氨基甲酸甲酯化合物,其结构经IR,^1H NMR和LC/MS分析确认．生物活性测定表明,部分化合物对稻瘟病菌（Pyricularia oryzae）具有较高的抑菌活性．     

N-(5-三氟甲基-1,3,4-噻二唑-2-基)-N''-芳氧乙酰基硫脲的合成及其生物活性

通过2-氨基-5-三氟甲基.1,3,4-噻二唑与芳氧乙酰基异硫氰酸酯反应,合成了9个新的芳氧乙酰基硫脲,其结构用红外光谱、核磁共振氢谱和元素分析确证.初步的生物活性测试试验表明,部分目标化合物具有良好的植物生长调节活性,其中3b、3e、3i的生长素活性优良,3d、3e的细胞分裂素活性较好.三氟甲基增进了目标化合物的生物活性.     

1-取代苯甲酰肼基-2-(1H-1,2,4-三唑-1-基)-4,4-二甲基-3-戊酮的合成及杀菌活性

由2-(IH-1,2,4-三唑-1-基)-4,4-二甲基-1-戊烯-3-酮和取代苯甲酰肼的亲核加成反应合成了六个未见文献报道的三唑化合物,其化学结构经IR,^3H NMR,MS和元素分析确证．目标化合物的生物活性测定表明,该类化合物对小麦叶锈病具有良好的杀菌活性．     

噻唑啉环多头硫醚的合成及生物活性测试

通过 5- 甲基 -2- 噻唑烷硫酮与溴代物的亲核取代反应合成了四种甲基噻唑啉多头硫醚,利用红外光谱(IR)、核磁共振(1H NMR)光谱和元素分析对这四种化合物的结构进行了表征.采用 PDA 培养基平皿活性筛选法用22种真茵对合成的四种目标化合物进行了生物活性的初筛.测试结果显示:四种化合物均有生物活性,其中对水稻恶苗病茵都具有良好的杀茵作用.     

噻唑啉环多头硫醚的合成及生物活性测试

通过5-甲基-2-噻唑烷硫酮与溴代物的亲核取代反应合成了四种甲基噻唑啉多头硫醚,利用红外光谱(IR)、核磁共振(1H NMR)光谱和元素分析对这四种化合物的结构进行了表征。采用PDA培养基平皿活性筛选法用22种真菌对合成的四种目标化合物进行了生物活性的初筛。测试结果显示:四种化合物均有生物活性,其中对水稻恶苗病菌都具有良好的杀菌作用。     

取代苯磺酰氧基膦酸酯的合成

采用取代磺酰氯与α-羟基膦酸酯的缩合反应，在取代苯磺酰氧基烃基膦酸酯α位的亚甲基上引入具有较大体积的取代苯基，合成了9个未见文献报道的化合物，其结构用IR、^1H NMR和MS进行了表征。探讨了合成此类化合物的反应条件。初步生测实验表明，所合成的目标化合物均表现出一定的除草活性，进一步的生物活性筛选正在进行。     

N'-(2-羟基-4-甲基-苯甲酰胺基)-2-亚胺基-4-噻唑烷酮的合成及生物活性

为探讨4-噻唑烷酮衍生物的生物活性,用4-甲基水杨酸甲酯和水合肼作为原料反应得到4-甲基水杨酰肼,再将其与硫氰酸钾合成得4-甲基水杨酰氨基硫脲,最后与溴代乙酸乙酯反应合成终产物N'-(2-羟基-4-甲基苯甲酰胺基)-2-亚胺基-4-噻唑烷酮.对其进行了~(13)C NMR、IR、~1H NMR和元素分析表征,并对该化合物进行了体内抗炎活性和体外抗菌活性的测试.结果表明:该化合物具有较好的抗炎和抗菌活性.     

3-取代吲哚-2-酮类化合物异构体的密度泛函理论计算

用B3LYP／6-31G方法对3-取代吲哚酮类化合物异构体进行了计算．计算分四部分进行：初始模型Ⅰ-Ⅳ的计算;模型Ⅰ的4′位置被甲基取代的计算;完全为E构象模型的计算;模型Ⅰ-Ⅳ乙烯基上的氢被甲基取代的计算．结果表明：以Z构象为稳定构象的分子可能与相应激酶结合时有较高的活性,而以E构象为稳定构象的分子则、活性一般不高．     

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.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

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.     

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.     

A computer generator for randomly layered structures

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

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.     

Jane Eyre——A Feminist In The 19th Century

In the 19th century the society was controlled by men, and women were just appendants of them, they had not any rights and freedom. But Jane was an exception, she showed some characteristics of early feminist. Jane showed her characteristics of feminism in three aspects: rebellion, equality, and independence. These characteristics were helpful to her success, and feminism is the only way out for women of that time.     

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-