桥链七甲川菁的合成及光性能

菁是一种具有多功能用途的染料,除用作卤化银感光材料及有机光导材料的光谱增感剂、光记录材料中记录介质外,还可作为染料激光器中用的激光染料.我们曾合成了四甲川苯乙烯菁、五甲川(艹粦)及五甲川吡喃鎓等红外染料作为激光染料,测定了它们的光性能.本文合成了具有桥链的七甲川菁,研究了这些桥链七甲川菁的吸收光谱及荧光光谱,并以YAG激光倍频(532nm)作泵浦源,测定了它们的激光调谐范围、中心波长及激光转换效率.     

分子手性的温度效应：D-丙氨酸的变温X衍射和中子衍射研究

利用X衍射（300, 270, 250 K）和中子衍射（300, 260, 250, 240 K）研究D-氨酸单晶在静态的和动力学的变温过程中的结构特征以及考证Salam预言的由D到L构型转变的可能性. 实验发现丙氨酸晶体的空间群P212121对称性没有改变. 实验结果否定了构型相变的可能，但是发现在~250 K有一个微小的、连续的对称性破缺发生. 晶体分子振动产生的环电流模型可以用来解释D-和L-丙氨酸单晶直流磁化率和天然旋光角相反的现象， 与之相关的中子衍射数据进一步揭示了变温过程中αC－H(2), N－H(1), N－H(4), N－H(6) 键长的不同变化. 中子衍射还显示了质子移动所导致的动力学无序，来源于分子内氨基和羧基形成的氢键和分子间αC－H和氨基形成的氢键，从而产生的晶格扭曲和NH³⁺的扭转. 实验结果表明Salam预言相变不是传统意义的结构相变，而是由于温度效应导致了在相变点附近分子的宇称破缺能差（PVED）增大，然后通过氨基酸分子的隧道效应扩大了宇称破缺能差的影响，这一研究为生命现象中快速的均一手性形成提供了非线性机理的合理解释.     

聚苯胺纳米点阵列的制备和库仑台阶现象

本文制备了PANI纳米点阵列, 利用导电原子力显微镜(C-AFM)表征了其形貌和导电性能, 在室温下观察到PANI纳米点的库仑台阶(Coulomb staircase)现象, 并利用库仑阻塞效应的理论进行了初步的分析.     

芴取代的有机膦化合物的合成及发光性能

合成了以芴为取代基，P原子为核的一类新型有机膦化合物．此类化合物的HOMO值在-5．35～-5．24eV之间．在二氯甲烷中的最大紫外吸收光谱峰值在313～351nm之间，荧光光谱峰值在334～397nm之间．利用此类小分子与纯聚芴进行掺杂，制作了有机电致发光器件．低HOMO值有机膦化合物的引入有效地降低了聚芴发光器件的开启电压，提高了器件的发光效率．     

红霉素A9-（1-异丙氧基环已基）肟的合成及其晶体结构

合成表征了红霉素A9-（1-异丙氧基环已基）肟的E和Z异构体，并在丙酮-水混 合溶液中培养出了前者的单晶，X射线衍射表明，其结构为正交晶系，P2_12_12_1 空间群，晶胞参数：a=2.3101(5) nm, b=2.3761(5) nm, c=0.97066(19)nm, V=5. 3279(8) nm~3，Z=4，μ=0.088 mm~(-1)，F(000)=2064, D_c=1.176 g/cm~3。E-红 霉素A 9-（1-异丙氧基环已基）肟的晶体结构图明显表明1-异丙氧基环已基保护基 确实使十四元大环的构象发生了扭曲，使6-OH的周围空间不再拥挤，从而导致6- OH甲基化的选择性提高。     

丙烯酸Fe3+型树脂在非水介质中对鞣酸的配位吸附及洗脱性能

将Fe3 载于丙烯酸树脂上,制备了在非水介质中对鞣酸具有良好吸附性能的配位吸附树脂.在甲醇中,树脂对鞣酸的吸附符合Langmuir单分子层吸附模型,静态饱和吸附量为34mg/g,吸附为粒扩散控制过程.动态吸附中,树脂对鞣酸的泄漏吸附量为25mg/g,饱和吸附量32mg/g.采用5%的甲胺乙醇溶液作洗脱剂,洗脱率95%.树脂在吸附及洗脱过程中未见Fe3 脱落.     

LC-MSn测定2-[[(2''''-氰基联苯基)-4-基]甲基]氨基-3-硝基苯甲酸乙酯中的不纯物

2-[[(2'-氰基联苯基)-4-基]甲基]氨基-3-硝基苯甲酸乙酯是生产抗高血压药坎地沙坦酯的中间产物[1],由3-硝基邻苯二甲酸为起始原料,经酯化、卤代、Curtius重排、与2-氰基-4'-溴甲基联苯缩合4步反应制得,合成路线见文献[2-3].     

Conformational Transformation Exhibited by the Peptide Extracted from Crystalline Region of Bombyx mori Silk Fibroin in Solid and Solution States

The conformational transformation of a 30-residue peptide H（Ala-Gly-Ser-Gly-AIa-Gly）5OH, i.e., （AGSGAG）5, extracted from highly crystalline region of Bombyx mori （B. mori） silk fibroin was described by using the high resolution solid state 13^C NMR, and CD spectroscopies. Based on the conformation-dependent 13^C NMR chemical shifts of the Ala, Gly and Ser residues and the line-shape analysis of the conformation sensitive Ala Cβ resonance, the peptide revealed a strong preference for silk Ⅱ structural form, i,e,, an antiparallel fl-sheet structure （φ= - 140±20°and ψ= 135±20°） in solid state. On the contrary, the CD spectra of this peptide in the two non-native hexafluorinated fibre spinning solvents, hexafluoroisopropanol （HFIP） and hexafluoroacetone （HFA）, exhibited the existence of an unusual tightly-folded conformation resembling 310-helix （φ=- 60±20° and ψ=-30±20°）, as judged from the R ratio of [θ]222/[θ]203 in HFIP solution, whereas a dynamically averaged unordered structure in HFA, Taken together, the information inclined to hypothesis that the primary structure of the highly crystalline regions of B. mori silk fibroin may be easily accessible to the large conformational changes, which in turn may be critical for facilitating the structural transformation from unprocessed silk fibroin （silk I form） to processed silk fiber （silk Ⅱform）.     

基于新型核与灰度序列的时滞GM(1,N)模型及其应用

为了解决GM(1,N)模型在新型核与灰度的基础上,对驱动项的延迟作用机理不明确的问题,将时滞参数引入到GM(1,N)模型的驱动项中,构建了基于新型核与灰度的时滞GM(1,N)模型,分析了时滞参数的辨识方法,讨论了新模型的建模机理。为了更好地对该模型的有效性进行验证,将优化的时滞GM(1,N)模型对南京市的雾霾进行预测分析,选择GM(1,N)模型、一元回归模型与文中的优化模型进行对比。结果显示,优化模型对PM₁₀浓度的拟合精度更高,且误差均控制在5%之内,从而验证了提出的优化模型适用于具有时滞特征数据的模拟和预测。     

CLIMATIC CHANGE SINCE LITTLE ICE AGE RECORDED BY DUNDE ICE CAP

The climatic change since the Little Ice Age recorded in the Dunde Ice Cap is presentedin this paper. There have been three cold periods and three warm periods since 1400AD.Among them, the coldest one was in the 17th century. Many evidences verified the three coldand warm variations recorded in the Dundc Ice Cap. But it was found from the comparison between the Dunde Icc Cap climatic record and thewinter temperature record in Shanghai that there was a temporal dfference in climatic changebetween East China and West China. The general trend is that the cooling and warmingprocesses in West China were earlier than that in East China. In the Dunde Ice Cap, it isnow in an anomalous warm period, while it is not as warm as in Dunde Ice Cap recordaccording to the winter temperature in Shanghai. In addition to the possible cause of temporaldifference in climatic change between West China and East China, another possible cause isthat the greenhouse effect of CO_2 may already be recognizable in the Dunde Ice Cap a