Restriction of Intramolecular Motion(RIM): Investigating AIE Mechanism from Experimental and Theoretical Studies

Mechanistic studies promote scientific development from phenomena to theories.Aggregation-induced emission(AIE),as an unusual photophysical phenomenon,builds the bridge between molecular science and aggregate mesoscience.With the twenty-year development of AIE,restriction of intramolecular motion(RIM)has been verified as the working mechanism of AIE effect.In this review,these mechanistic works about RIM are summarized from experimental and theoretical perspectives.Thereinto,the experimental studies are introduced from three parts:external rigidification,structural modification and structural characterization.In the theoretical part,calculations on the low-frequency motion of AIEgens have been performed to prove the RIM mechanism.By virtue of the theoretical calculations,some new mechanisms are proposed to supplement the RIM,such as restriction of access to conical intersection,suppression of Kasha transition,restriction of access to dark state,etc.It is foreseeable that the RIM mechanism will unify the photophysical theories for both molecules and aggregates,and inspire more progress in aggregate science.     

The Properties of Surface Polaron in the Semi-Infinite Polar Crystal

The effective Hamiltonian and the renormalized mass of surface polaron, where the electron is strongly coupled with the surface optical (SO) phonons but weakly or intermediately coupled with the bulk longit udinal-optical (LO) phonons, were first reviewed. The self-energy and the renormalized mass of the polaron for the polar crystals of potassium iodide, silver chloride and silver bromide are evaluated as a function of the depth Gom the crystal surface. Results of our calculation indicate that the effect of the electron-SO phonon interaction is dominant only within a very small layer from the crystal surface. Its justification awaits further experimental results.     

一般寿命分布和定时截尾的Bayes变量抽样方案

林（1994）研究了指数分布和定时截尾的变量抽样方案．本文将讨论一般寿命分布和定时截尾的一次抽样方案．在多项式损失函数的假设下,我们讨论了Weibull分布、双参数指数分布和-分布三种情形,并着重讨论Weibull分布的情形．本文还提出了一个可用于近似地确定最优抽样方案的有报算法,并且进行了灵敏度分析,还同林较早的模型（1990,1994）做了比较．     

阳离子表面活性剂Aliquat 336对水中双酚A的浊点萃取及作用机制

研究了阳离子表面活性剂Aliquat 336(三辛基甲基氯化铵)浊点萃取水中双酚A(BPA)后以高效液相色谱测定的方法.探讨了Aliquat 336与Na_2SO_4/NaCl用量、pH值、萃取时间等因素对萃取效果的影响,经条件实验选定各因素水平如下:0.8 g/L Aliquat 336,4.0 g/L Na_2SO_4,超声萃取15 min,pH和对萃取影响不大,故不予调节.结果表明: 在此选定条件下,本方法富集效率高(BPA在胶束相-水相分配系数达10~4),萃取效率稳定(相对标准偏差均小于10%),其对BPA在不同水质、不同加标浓度下的回收率均大于90%,去离子水中检出限为0.34 μg/L.本方法操作简单、方便、成本低,易于推广.同时以胶束粒径与Zeta电位分析等确证盐含量对阳离子表面活性剂胶束形成的决定性作用,并结合影响因子分析,推测Aliquat 336浊点萃取过程中BPA可能存在静电作用、阳离子-π键等疏水分配以外的作用机制.     

高分辨魔角旋转核磁共振技术（HR/MAS）在固相合成中的应用

使用微量探头分析了不同树脂、溶剂、温度对¹H NMR线宽的影响，并运用高分辨魔角旋转核磁共振技术跟踪固相载体上羟基氨基酸的糖基化反应. 该研究表明使用高分辨魔角旋转核磁共振探头可以快速、直接鉴定树脂上的产物，是固相合成中重要的分析工具.     

聚{11-[(4'-正庚氧基-4-联苯基)羰基]氧-1-十一炔}的相结构与相转变

采用示差扫描量热法(DSC)、一维(1D)、二维(2D)广角X-射线衍射(WAXD)和偏光显微镜(PLM)等研究手段对聚{11-[(4'-正庚氧基-4-联苯基)羰基]氧-1-十一炔}(PA-9,7)的本体相转变和相结构进行研究,并采用分子动力学方法对相结构进行模拟.结果表明,样品的相转变为近晶B相(SmB)(→)近晶A相(SmA)(→)各向同性态(Iso).在近晶B相中,侧链在层状结构中排列成具有六次对称性的准长程有序结构.     

Synthesis and properties of poly(1-phenyl-1-octyne)s containing stereogenic and chromophoric pendant groups

Poly(1-phenyl-1-octyne)s containing different stereogenic and chromophoric pendants {-[(C6H13)C=C(C6H4-p-CO2-R)]n-R=[(1S)-endo]-(-)-borneyl (P3), (1R,2S,5R)-(-)-menthyl (P4),―C6H4-p-(1R,2S,5R)-(-)-menthyl (P5), 2-napthyl (P6), 4-biphenylyl (P7)} have been designed and synthesized. The polymers are prepared in moderate yields by WCl6-Ph4Sn and possess high molecular weights (Mw up to 64000). The structures and properties of the polymers are characterized and evaluated by NMR, TGA, UV, CD, PL, and EL analyses...     

基于模型缩聚的结构损伤统计识别

提出了一种基于有限元模型缩聚技术的结构损伤统计识别方法,该方法仅需要少量传感器的测量数据.首先基于模型缩聚技术建立确定性的损伤识别过程,然后利用摄动法将概率过程融入确定性的损伤识别中,从而得到了一种基于概率统计的结构损伤识别方法.该方法通过计算未知参数(如损伤构件的弹性特征)对于测量噪声的一阶与二阶偏导数,来得到这些未知参数的均值与协方差矩阵.文中不仅阐述了该方法的理论推导过程,而且通过一个门式框架的数值仿真研究,并结合Monte Carlo数值模拟技术验证了该文方法的正确性.     

A COMPARISON OF LIGHT-TRIGGERED SPECTRAL CHANGES IN RHODOPSIN AND ISORHODOPSIN

Abstract— This report describes spectral changes associated with the transformation of metarhodopsin I to metarhodopsin II following light excitation of isorhodopsin and rhodopsin. Irradiated isorhodopsin gives rise to an equilibrium mixture of metarhodopsin I and metarhodopsin II which at 2°C and pH 6.8 favors the former. Isorhodopsin and rhodopsin are converted to metarhodopsin II via metarhodopsin I at very similar rates and activation parameters for the conversions are essentially identical. It is concluded that the initial cis to trans isomerization erases all differences in the two pigments.