Large negative hyperpolarizabilities (β) of the protonated Schiff bases of the azulenic retinal analogues

The molecular first hyperpolarizabilities (β) and electronic properties of some azulenic retinal analogues and their derivatives have been investigated theoretically by employing semiempirical approaches. The results indicate that the protonated Schiff bases (PSB) of the 2-substituted azulenic retinal analogues possess extremely large negative β values and very good transparency. These can be attributed to the large difference between the ground state dipole moment and the first excited state dipole moment according to the electronic property analysis. The characteristic blueshifted absorption in polar solvents of the 2-substituted PSB chromophores can be well explained by the negative solvatochromic effects. The largest calculated |μβ| value can reach the magnitude of 10⁻⁴⁴ esu, which is close to the highest reported values of synthesized chromophores.     

1,3-苯并二氧茂及其衍生物的研究进展

通过整理近 2 0年来有关 1,3-苯并二氧茂及其衍生物的文献 ,分别介绍人们在 1,3-苯并二氧茂及其衍生物的制取、其化合物二环结构的特征、以及它们的主要性质和实际应用方面的工作     

热力学偏微商的直接推证法

提出了热力学函数一阶偏微商的直接推证法。利用这种方法,很容易将难测量的热力学偏微商用易测物理量系统地表示,其思路简单明了,易于掌握。     

簇合物Co_6(μ_3-S)_2(μ_4,η~2-SPR)(CO)_(14)(R=Fc,naphthylC_(10)H_7)、Ru_3(μ_3-S)(μ-H)_2(CO)_9和Ru_4(μ_3-S)(μ_3-PC_(10)H_7)(CO)_(10)的合成和表征

用 P2 S5分别与萘和二茂铁反应 ,得到两种配位基前体 :C10 H7PS SSPSC10 H7( L1,C10 H7为 naphthyl萘基 )和 Fc PS SSPSFc ( L2 ,Fc为二茂铁基 ) .L1和 L2 分别与 Co2 ( CO) 8反应 ,得到两种新的含 S、P桥基的六核钴羰基簇合衍生物 :Co6( μ3-S) 2 ( μ4 ,η2 -SPC10 H7)( CO) 14 ( )和 Co6(μ3-S) 2 (μ4 ,η2 -SPFc) ( CO) 14 ( ) .L1与 Ru3( CO) 12 反应得到 Ru3(μ3-S)(μ-H) 2 ( CO) 9( )和 Ru4 (μ3-S) (μ3-PC10 H7) ( CO) 10 ( ) .通过元素分析和谱学表征 ,对簇合物 ～ 的结构进行了推测 .     

酒石酸衍生物的合成及其结构与光学活性关系的探讨

合成出系列的L-半螺旋型酒石酸衍生物1～6,测定比旋光度,发现酒石 酸二乙酯2([α]_D²⁵+3.00°,DMSO)形成2,3-O-亚异 丙基酒石酸二乙酯3后旋光急剧往左偏移([α]_D²⁵-45.03 °,DMSO]),3酰胺化后比旋光值往右偏移(4a ：+11.19°,4b：+2.14°),还原产物的比 旋光值往左偏移(5a：-0.52°, 5b ：-4.92°,6：-2.95°);并用分子的螺旋结构与基 团的极化性质研究旋光规律。     

5-甲氧基靛红的简便高效合成

从5-甲氧基苯胺出发,探索出了用Sandmeyer法两步合成目标分子5-甲氧基靛红的合成方法,找到了合成目标分子的最佳条件：以水为溶剂,在90℃条件下,5-甲氧基苯胺与水合氯醛,盐酸羟胺反应3.5 h,得到对甲氧基异亚硝基乙酰苯胺,产率95%.在92℃,浓H2SO4（75%）条件下环合,经水解后得到5-甲氧基靛红,产率为88%.使用该方法合成5-甲氧基靛红,反应操作简便高效.     

C60-P-苯并咪唑衍生物分子结构和电子光谱的理论研究

用半经验AMl法研究了C60-P-苯并咪唑衍生物的分子轨道、电荷分布和几何构型,计算结果显示：分子（1）具有较低的跃迁能,LUMO轨道分布在C60上,电荷从取代基向C60转移,预测（1）可能在基态下产生长寿命的电荷分离态。     

Protein adsorption on the poly（L-lactic acid） surface modified by chitosan and its derivatives

Surface modification of biomaterials has been adopted over the years to improve their biocompatibility. In this study, aiming to promote hydrophilicity and to introduce natural recognition sites onto poly（L-lactic acid） （PLLA） films, chitosan and its derivatives, carboxymethyl chitosan（CMC） and N-methylene phosphonic chitosan （NPC）, were used to modify the surface of PLLA films by an entrapment method. Radiolabeled （^125I） proteins were used to measure the amount of protein adsorbed to PLLA surfaces. Fibronectin （Fn） was used to study the protein adsorption on the modified PLLA surfaces, including isotherm adsorption and adsorption kinetics of single protein, competitive adsorption of binary proteins system and serum multi-proteins and the desorption behavior in serum solution. The results showed that in the isotherm adsorption, Fn had a larger adsorption capacity on the CS-modified surface at lower concentrations, but had a high adsorption capacity at CMC-modified surface at higher concentrations. In the study of absorption kinetics, Fn had a fastest adsorption equilibrium and a highest equilibrium adsorption capacity at the CS-modified surface, while it was opposite at the PCS-modified surface. When BSA and serum were added, it had the greatest effect on the adsorption of Fn on the PCS-modified surface. After 6 hours soaking in the desorpUon study, Fn had reached desorption equilibrium on all the modified surfaces, which had different effects on the desorption rate and the remaining percentage of Fn.     

千米级斜拉桥空气动力学问题

以苏通大桥为背景,对超大跨径斜拉桥的空气动力学问题进行了研究,着重讨论了超大跨径斜拉桥的动力特性、风荷载、基于气弹模型的颤振导数识别、结构体系以及涡激振动特性等一系列问题。研究结果表明,考虑侧向风荷载作用下斜拉索的非线性效应之后,全桥结构的竖向刚度有折减现象。同时发现Fixed-Fixed体系是解决顺桥向风荷载的有效途径,还提出了基于气弹模型的颤振导数识别方法,并就斜拉桥的涡激振动和雷诺数效应进行了探讨。     

8-羟基喹啉两亲配合物的磁性、物相和热分析

通过磁性、粉末Ｘ－射线衍射和ＴＣ－ＤＴＡ分析等方面对４个８－羟基喹啉两亲配合物的性质进行了研究,依此推测了各配合物的结构,配合和的ＭｎＬ２、ＺｎＬ２和ＬａＬ２Ｃ１．４Ｈ２Ｏ为扭曲的八面体结构;ＣｕＬＣ１可能是由通过两个氯桥形成的二聚体。８－羟基喹啉两亲配合物具有强的荧光性质,可以用作电发光器件的发光材料。