基于模糊集的不精确时态关系建模

基于模糊集理论,建立了一种扩展Allen时态关系模糊时态区间模型.在经典时态关系的基础上,讨论了模糊时态区间关系,提出了时间点的模糊时态序列概念,并定义了模糊时态关系属性,同时用模糊时态序列定义了模糊时态区间的边界关系.最后结合时序测度公式对13种模糊时态定性关系给出了精确的表达.能精确表达模糊事件的精确和不精确关系,也为模糊推理提供了理论基础.     

论公共关系与图书馆形象塑造

论述了图书馆的形象与公共关系之间的联系，指出了当前图书馆在开展公关活动中的不足，并就如何运用公共关系手段塑造图书馆的良好形象，妥善处理图书馆与社会公众的种种关系，维系图书馆发展的和谐环境等问题进行探讨。     

三嗪类化合物溶解度参数及毒性构－效关系

测定了１２种三嗪类化合物的水溶解度，辛醇水分配系数和对发光菌的毒性，并用分子连结性指数建立了预测三嗪类化合物的溶解度，辛醇水分配系数及对发光菌毒性的定量结构活性相关方程，其中１０种化合物文献中未见报道。     

Syntheses and structure-activity relationships of novel 3′-difluoromethyl and 3′-trifluoromethyl-taxoids

A series of novel 3′-difluoromethyl-taxoids and 3′-trifluoromethyl-taxoids with modifications at the C2 and C10 positions were synthesized and evaluated for their in vitro cytotoxicities against human breast carcinoma (MCF7-S, MCF7-R, LCC6-WT, LCC6-MDR), non-small cell lung carcinoma (H460) and colon adenocarcinoma (HT-29) cell lines. These second-generation fluoro-taxoids exhibited several times to more than 20 times better potency than paclitaxel against drug-sensitive cancer cell lines, MCF7-S, LCC6-WT, H460, and HT-29. These fluoro-taxoids also possess two orders of magnitude higher potency than paclitaxel against drug-resistant cancer cell lines, MCF7-R and LCC6-MDR. Structure-activity relationship study shows the importance of the C10 modification for increasing the activity against multidrug-resistant cancer cell lines. Effects of the C2-benzoate modifications on the potency in the 3′-difluoromethyl-taxoid series are very clear (i.e., F < MeO < Cl < N₃), while those in the 3′-trifluoromethyl-taxoid series are less obvious. Also, different trends in the sensitivity to the C2-substitution are observed between drug-sensitive cell lines and drug-resistant cancer cell lines that overexpress efflux pumps.     

多羟基甾醇的合成及其结构与抗肿瘤细胞活性关系研究

报道了6个具有类似结构的多羟基甾醇的合成和它们的抗肿瘤细胞活性.发现此类化合物的细胞毒性与其分子中双键存在与否有着密切关系.当甾核或支链中双键被饱和时,其细胞毒性均明显降低.甾醇(5)和(8)对胃癌(MGC)、宫颈癌(HELA)细胞的生长具有一定的抑制作用.     

Quantitative Correlation of Chromatographic Retention and Acute Toxicity for Alkyl（1- phenylsulfonyl） Cycloalkane Carboxylates and Their Structural Parameters by DFT

1 INTRODUCTION Quantitative structure-activity relationship (QSAR)is one of the necessary methods that could be emp- loyed to evaluate the hazards of organic chemicals. QSAR equation could be applied to predict the biological activity of unknown compounds, espe- cially for initial screening and evaluation of toxic compounds[1]. Moreover, the quantitative relation- ship between molecular structure and chromatogra- phic retention (capacity factor lgKW) could also bedeveloped to explain …     

Toxicity （-lgEC50） Measurement of the Fluorobenzene Derivants against Vibrio Qinghaiensis （Q67） and Their 2D,3D-QSAR Study

Toxicities (-lgEC50) of 16 fluorobenzene derivants against vibrio qinghaiensis (Q67) were measured systematically,and their quantum chemistry parameters were calculated at the B3LYP/6-311G** level. Based on the experimental toxicity data and quantum chemistry parameters,2D-QSAR model was proposed,which was validated by variance inflation factors (VIF),t-value and cross-validation method. At the mean time,comparative molecular force field (CoMFA) based on molecular simulation was used to investigate the toxicity of fluorobenzene derivants. Furthermore,the intoxicating mechanism of fluorobenzene derivants was discussed. To our interest,2D-QSAR and CoMFA models exhibit good prediction ability,with which the toxicity of similar compounds can be predicted. Finally,toxicities (-lgEC50) of 12 fluorobenzene derivants against vibrio qinghaiensis (Q67) were predicted with these models.     

考虑材料设计变量的热-固耦合结构的优化设计

从材料-结构协同设计的角度研究了热-固耦合结构的优化设计问题,将决定结构材料性质的细观参数与结构宏观几何参数作为设计变量,利用均匀化方法推导了细观设计变量灵敏度显式计算式,并结合耦合场有限元方程构造了耦合场设计变量灵敏度计算式;提出了材料-结构协同设计的三种优化设计模型.利用结构响应最小优化模型对算例进行了计算,比较了宏观设计变量优化和材料-结构协同设计优化的效果.计算结果显示,材料-结构协同优化设计可以取得较单一宏观设计变量更好的优化效果.     

棕色田鼠的种群年龄结构和密度关系分析

利用１７５７只棕色田鼠标本，以体重做指标，将棕色田鼠划分为５个年龄组，在此基础上分析了不同年度、不同月份、不同样方密度和年龄结构的相互关系，发现不同年份年亚成比越高，种群有增长的趋势，反之亦然；不同月份、不同样方，密度越高、亚成比越高．