Structure–Property Investigations of Substituted Triarylamines and Their Applications as Fluorescent pH Sensors

Fourteen triphenylamine derivatives functionalized with fluorophenyl, methoxyphenyl, and pyridinyl groups as respective donors and acceptors were synthesized and characterized. Their photophysical properties were systematically investigated in various solvents with different polarities. The solvent‐dependent Stokes shifts of these compounds were observed and analyzed by the Lippert–Mataga equation. The synthesized compounds, especially tris(4‐(pyridin‐4‐yl)phenyl) amine, presented pH‐dependent absorptions and emissions, indicating that these compounds might be used as pH sensors.     

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.     

可塌陷气管的p—V关系和极限流量

通过对正常大鼠气管在不同轴向伸长比条件下作液体灌注实验,并对所得压力-容积数据进行最小二乘拟合,得到包含在拟合函数关系式中的大鼠气管材料常数,文章详细分析这些材料常数的力学含义,并对可塌陷气管的顺应性和极限流量进行讨论,文章结果为分析气管在特定力学环境中的适应性生长和塌陷特性提供重要的信息。     

纯品枸杞多糖对小鼠抗疲劳的效果

将纯品枸杞多糖分为５,１０,２０,５０,１００ ｍ ｇ·ｋｇ－ １ ·ｄ－ １等５ 个不同剂量的实验组,灌喂小鼠,观察其对小鼠抗疲劳的效果纯品枸杞多糖能显著地增加小鼠肌糖原、肝糖原储备量;提高运动前及游泳后 ９０ ｍ ｉｎ 及 １５０ｍ ｉｎ Ｌ Ｄ Ｈ 总活力;降低小鼠剧烈运动后血尿素氮增量,加快运动后血尿素氮的恢复速率;以１０ ｍ ｇ·ｋｇ－ １ ·ｄ－ １ 剂量组效果最佳 提示纯品枸杞多糖在提高机体对运动员负荷的适应能力,抵抗疲劳产生和加速疲劳的消除具有十分明显的作用     

极端干旱地区人地关系历史演变的初步研究--以新疆塔里木盆地为例

论述了极端干旱环境背景下的人地关系性质以及演变的主要特征 ,指出在此地区资源是决定人地关系性质和特征的首要因素 ,而气候的自然演变、人类活动的影响等是在不同时空尺度上制约着干旱区人类的生存空间、活动空间以及人类的生存活动、社会生产活动与自然环境的物质、能量、信息交流等方面的更深层次的因素 .从原始社会 ,农业社会到工业社会 ,这种关系的表现形式一直不断地发生着变化 ,大致经历了依附自然 ,干预——顺应自然 ,干预自然 ,回归自然四个阶段 .各个阶段以气候环境变化为背景 ,以水资源为主线 ,表现出人地关系演变的时空特征     

配合物的稳定性与配体酸碱强度之间的直线自由能关系——Ⅻ 铜(Ⅱ)—杂环芳香碱—N-取代乙二胺三元体系

为了研究三元配合物体系中的直线自由能关系,特别是配体的空间位阻的影响,本文用pH法测定了铜(Ⅱ)—杂环芳香碱与第二配体N-取代乙二胺形成三元配合物的稳定常数及第二配体的质子化常数,报道了三元配合物的稳定性与第一配体杂环芳香碱的酸碱强度之间和第二配体取代基空间位阻E_s之间存在线性关系。     

Prediction of the retention in thin layer chromatography screening systems by atomic contributions

A novel atomic-contribution system for predicting of R_M values is presented and validated on 13 thin layer chromatography screening systems on silica gel, where the large experimental datasets (198-761 R_M values) are available. The R_M is predicted with error less than 0.5 in majority of solutes (besides several outliers), which corresponds to difference in R_F equal to 0.28 in the worst case. The system was validated by dividing the data into training and validation datasets, proving its accuracy. The main reason of larger errors in outliers are: large conjugated heterocycles, quarternary ammonium cations, large amount of polar atoms or very simple but unique molecules. The calculations are very easy and can be performed on free software or even manually. The presented method can be used in the retention prediction of new solutes in existing chromatographic screening systems.     

Complex Formation of Crown Ethers with Cations in the Water–Organic Solvent Mixtures. Part VII. Thermodynamic of Interactions of Na+ Ion with 15-Crown-5 Ether in the Mixture of Water with N,N-Dimethylacetamide at 298.15 K

The thermodynamic functions of the complex formation of 15-crown-5 ether with sodium cation in mixtures of water with N,N-dimethylacetamide at 298.15K are calculated. The equilibrium constants of complex formation of 15-crown-5 ether with sodium cation have been determined by conductivity measurements. The enthalpic effect of complex formation has been measured by a calorimetric method at 298.15K. The complexes are enthalpy-stabilized but entropy-destabilized in this mixed solvent. A quantitative dependence of the excess molar enthalpy and entropy of complex formation on the structural and energetic properties of interactions between water and organic solvent molecules in the mixtures of water with N,N-dimethylacetamide, N,N-dimethylformamide and dimethylsulfoxide has been found. The linear entropy–enthalpy relationship for complex formation is also presented. The solvation enthalpy of the complex in the water–N,N-dimethylacetamide mixtures is discussed.     

配合物稳定性与酸碱强度之间的直线自由能关系——ⅪⅤ.N-(取代苯基)亚氨基二乙酸与铜(Ⅱ)、镍(Ⅱ)、锌(Ⅱ)钴(Ⅱ)二元配合物的稳定性研究

The dissociation constants of N-(para-substituted phenyl) iminodiacetic acid (p-RPhID A, R= Cl, H, CH₃, CH₃O) and N-(ortho-substituted phenyl) iminodiacetic acid (o-RPhlDA) and the formation constants of binary complex compounds of Cu(Ⅱ)-o-RPhIDA, Cu(Ⅱ)-p-RPhIDA, Co(Ⅱ)-p-RPhIDA, Ni(Ⅱ)-p-RPhIDA and Zn(Ⅱ)-p-RPhIDA were determined by pH method in the presence 0.1mol·dm^-3KNO₃ at 25℃ . It has been found that linear free energy relationships not only exist between stability of these binary complex compounds and base strength of ligand, but also exist between logβ and σ'(=pK₂-pK₂).The deviation of Cu(Ⅱ)-o-CH₃PhIDA from linearity may be ascribed to steric effect of methyl group at ortho position.     

荧光素衍生物抗癌活性的模式识别

近年来,我们以荧光素为母体合成了一系列的衍生物,药理试验证实其中许多种对肿瘤细胞有明显的杀伤和抑制增殖作用。本文用非线性映照(NLM)模式识别技术研究其活性分类,得到分类清晰的映照图,确定了该类衍生物抗ECa 109细胞的主要结构因素,为指导合成新化合物建立了预报模型。 1 结构参数选择与非线性映照