分子

The tracheary elements in secondary xylems of Actaea asiatica root and rhizomes were observered with a scanning electron microscope and found to contain abundant types, which mainly included tracheids, tracheid-like vessels, fibriform vessels, and typical vessels. Of these types, the tracheids, tracheid-like vessels, fibriform vessels were first found. Scalariform perforation plates, reticulate perforation plates, mixed perforation plates and simple perforation plates were observed in the typical vessels and the reticulate perforation plates ,mixed perforation plates were first founded the lateral-wall perforation plates, multiple end walls and pit membrane vestige were also observed in the tracheary elements.

利用扫描电子显微镜对毛茛科类叶升麻根和根状茎次生木质部中的管状分子进行观察，发现其管状分子类型丰富，主要有：管胞、管胞状导管、纤维导管和典型的导管分子，其中管胞、管胞状导管和纤维导管为在该类群中首次报道；在导管分子中，存在着梯状穿孔板、网状穿孔板、混合型穿孔板和单穿孔板，其中网状穿孔板和混合型穿孔板为在该类群中的首次报道；对其导管分子上的侧壁穿孔板、多穿孔板和纹孔膜残余也进行了描述。

These studies indicate the rationality of our molecular design based on the crystal structure of KARI complex. To obtain more KARI inhibitors with high activities, the molecular docking and 3D-QSAR methods were applied to our further studying of these amidine compounds. Two methods AutoDock3. 0.3 and DOCK4. 0 were used in molecular docking, and the calculate results accord with that of herbicidal tests in general. The CoMFA model from 3D-QSAR analysis provided useful guidance for designing highly active compounds prior to their synthesis.

这些分子作为潜在的KARI抑制剂为基于KARI的农药分子设计提供了有利指导；对部分小分子进行了合成，在除草活性初筛的近三十个化合物中，个别化合物表现出较好的除草活性，其中一个化合物wb1596对油菜和稗草具有较高的生长抑制率，并通过E.coli KARI酶活性抑制试验验证了其KARI酶的作用靶标，此化合物可以作为KARI一个有苗头的抑制剂为后续工作奠定了基础；对发现的有苗头的KARI抑制剂进行了结构修饰和优化，合成了一系列脒类化合物并确证了它们的结构，改造后的化合物与原抑制剂相比大多除草活性相当或更佳，从而表明我们基于靶标结构的分子设计的合理可靠性；对所合成一系列脒类化合物进行了分子对接和三维定量构效关系研究。

The dissertation is focused on the research of organic supramolecular self-assembly and molecule folding. It consists of four parts. In the first part, three new model molecules for investigating intramolecular coaggregation behavior have been designed and synthesized. Fluorescence studies reveal that intramolecular coaggregation of these molecules take place with the increase of the solvent polarity because of hydrophobic-lipophilic interaction .

本论文主要对有机超分子自组装和分子折叠做了一些研究，共分四个部分：第一部分中，我们设计并合成了一个新的研究分子内自簇集的模型，用荧光光谱法对该模型进行了研究，研究表明，在促簇能力较强的溶剂体系中，这一类模型分子可在疏水亲脂作用的驱动下发生分子内自簇集而形成卷曲的构象。

The UV and IR spectroscopic studies of the monomer films showed that the photoreaction ratio of monomer (about 50%) was higher than the corresponding photosensitive polymer (about 10%, PVCi). The polarized IR spectra proved that obvious anisotropic absorption was displayed in the irradiated photosensitive film. With polarizing microscopy method, we found that these kinds of photoalignment films exhibited good alignment ability, and the stability of the photoalignment film could reach about 100℃. 2 A photosensitive self-assembled monolayer was fabricated that contained photo-cycloadditable groups, such as, coumarin and cinnamate. The reaction process were detected by contact angle method because the IR absorption of monolayer was very weak. The photosensitive self-assembled monolayer promote uniform alignment of nematic liquid crystals by LPUV, and it thermal stability could reach about 130℃. 3 A cationic bolaform amphiphiles was synthesized that had two photosensitive double bonds, and can be polymerized by ultraviolet. A layer-by-layer self-assembled deposition film was prepared in aqueous solution by using this material and poly (sodium 4-styrenesulfonate). The UV-Vis. spectra proved that the multilayers film was uniform and layer-by-layer. When LPUV irradiated the film, the photopolymerizable double bond underwent [2+2] cycloaddition, and the production of the reaction distributed along the polarized direction of incident LPUV. Polarized UV-Vis. spectra indicated that the irradiated self-assembled multiplayer film was anisotropic, and the dichromic ration is about 0.09, it is higher than the spin-coating method of photosensitive polymer or monomer. We used this anisotropic film as alignment layer of nematic liquid crystals, and obtained a uniform and stability alignment result, the static contrast ratio is about 100, which is very close to application of liquid crystal device. This thesis is an instance that the photochemical material was used in the physics region of liquid crystals, the route that was from photosensitive monomer, self-assembled monolayer film to self-assembled multiplayer film was undergone, by this logical research method photoailgnment of liquid crystal was extended and consummated.

围绕上述思路开展了如下工作：1合成了三种可进行光二聚反应的光敏小分子单体，LPUV 辐照制作了光控取向膜；用紫外-可见光谱法和红外光谱法分析了薄膜中的光化学反应，发现小分子的光反应程度可达到50%以上，至少比光敏高分子高出5倍；薄膜的偏振红外光谱证实，经过LPUV 辐照后薄膜出现了明显的各向异性；将小分子光控取向膜制成液晶器件，在偏光显微镜下观察看到均匀一致的液晶取向；并且热稳定性达到100℃左右，接近实用化要求。2制备了含肉桂酸、香豆素基团的自组装单层膜；采用接触角的方法监测自组装反应的动力学过程；紫外-可见光谱证实了自组装单层膜在石英基板表面形成；自组装单层膜经LPUV 辐照后能诱导液晶均匀取向，而且热稳定性可达130℃，热稳定性进一步提高。3合成了含有光敏双键的双季铵盐，在水溶液状态下将它和聚乙烯基苯磺酸钠沉积生成layer-by-layer 自组装多层膜，紫外-可见光谱证实这是一个逐层均匀的沉积；在LPUV 照射下，自组装膜中的光敏双键按照偏振方向发生[2+2]环加成反应，形成取向膜，用二向色性值评价的分子取向度高于高分子及小分子光控取向膜的水平；实验证明用自组装多层膜制成的液晶器件亮暗态均匀，静态对比度约为100，达到实用化器件的水平。

In addition, molecular orientation behaviors induced by shearing, electric field and magnetic field were investigated. The space group of the monomers A3EO7 and A9EO7 were determined as P2〓2〓2 and P112/m by means of electron diffraction and X-ray diffraction. Liquid crystalline properties of the monomer and the polymer were studied using DSC, variable X-ray diffraction, TEM and polarized optical microscope. Both monomers exhibit monotropic liquid crystalline behavior, and they also give a metastable phase on the cooling process. The polymer PA9EO7 shows enantiotropic liquid crystalline properties. Thus the rigid polymer backbone is not a fatal defect that completely distorts the packing arrangement of the mesogenic moiety in the side chain liquid crystalline polyacetylene.

结合电子衍射倾转方法和粉末X射线衍射技术，确定了两个液晶小分子A3EO7和A9EO7的晶胞参数和空间群，采用Cerius〓模拟软件，运用分子模拟的方法给出了小分子在晶胞中的排列方式；利用DSC、变温X射线衍射技术和透射电子显微镜研究了小分子和聚合物的液晶态，单体A3EO7和A9EO7表现出单向液晶性质，并且在降温过程中都表现出一个亚稳液晶相或亚稳结晶相，聚合物PA9EO7具有双向液晶性；采用偏光显微镜和X射线平板照相技术，研究了剪切和电场对聚合物分子取向的影响，在不同的液晶态，剪切作用对聚合物PA9EO7具有不同的诱导取向结果，直流电场可以诱导聚合物联苯液晶基元沿施加电场方向取向。

Aimed at the study of Lauraceae system classification in domestic and overseas,genetic diversity and genetic variation between Cinnamomun micranthum Hayata natural populations and Ex-situ conservation poputations and relationship among Its Close Relative Species of Cinnamomum camphora Presl,Cinnamomum burmannii(C.G.etTh.Nee) Bl,Phoebe bournei Yang. Litsea subcoriacea Yang et P.H.Huan. Neolitsea aurata Koidz,Lindera communis Hemsl and Persea Americana Mill.were studied by inter-simple sequence repeats molecular marker.The research aimed at genetic variation between Cinnamomun micranthum Hayata populations,so that can offer the molecular theoretic and practical method for conservation and utilization of Cinnamomun micranthum Hayata populations.

针对目前国内外对樟科植物系统分类的研究现状，本研究采用ISSR分子标记技术对樟科沉水樟天然居群和迁地保护居群的遗传多样性进行研究，从分子水平上分析沉水樟种群的生态遗传及其遗传变异规律；同时利用ISSR分子标记技术比较沉水樟及其近缘种香樟、阴香、闽楠、桂北木姜子、新木姜子、香叶树、鳄梨在分子水平上的亲缘关系，揭示这些树种在樟科植物系统进化中的作用与地位，探讨沉水樟及其近缘种的遗传多样性及其分化格局，为樟科植物的系统分类提供分子水平的依据。

The two-photon absorption cross-sections of these styryl derivatives were determined by Z-scan technique, and the benzothiazolium derivatives exhibited the largest TPA cross-sections (10〓s·cm〓/photon) and the best power limiting ability at high operable incident intensity. The results show that the benzothiazolium derivatives are promising organic compounds as two-photon absorption optical limiting materials. 2. Several organic dyes active to 800nm femtosecond laser with D-π-A structure were designed and synthesized.

研究了它们的上转换荧光、上转换激射和光限幅行为，通过改变染料分子共轭体系的大小，首次实现了在576nm-635nm范围内的双光子上转换激光波长的调节，其中噻唑啉碘盐类二苯乙烯化合物的双光子上转换激射峰（576nm）是迄今在1064nm皮秒激光作用下能够得到的最短波长的激光；阴离子显著改变上转换激射效率，但对上转换荧光峰和激射峰的位置影响很小；增加溶液的浓度，上转换荧光光谱和激射光谱红移，并在一定的浓度范围内，能够有效的提高上转换激射效率；利用Z-扫描技术测定了染料分子的双光子吸收截面，发现苯并噻唑类染料分子的双光子吸收截面高达10〓s·cm〓／photon，而且在较大的入射光强范围内，这类染料分子具有较大的光限幅能力，是一类作为双光子吸收光限幅材料很有潜力的染料分子。

Domestic and overseas entomologist has showed that different molecular marker methods for molecular identification of Trichogramma species. However, each of molecular marker methods previously has own deficiency, and molecular marker genes used in Trichogramma species identification almost is ribosomal DNA, study about mitochomadrial DNA in Trichogramma spp. is infrequent.

近年来，随着分子生物技术的发展，国内外研究者曾用不同分子标记方法来进行赤眼蜂蜂种的分子鉴别，然而每种分子标记都有自己的不足，且赤眼蜂分子鉴定中用于序列分析的标记基因基本上为核糖体核糖核酸基因，而有关线粒体DNA的研究却鲜有报道。

Two molecular forms of Xenopus hatching enzyme, 60kD and 40kD molecules, was obtained during preparation and purification. Both of them were verified as the hatching enzyme molecules, using anti GST UVS.2 antibody as the probe. 60kD molecule was digested or autodigested easily into 40kD molecule during purification. It was indicated that 40kD molecule was probably derived from 60kD molecule with its two CUB repeats lost, and the two CUB repeats may play an important role in recognizing and/or modifying of the molecular structure of vitelline envelope.

在分离纯化非洲爪蟾孵化酶时，得到了60kD和40kD两种分子，用孵化酶的特异性抗GST-UVS.2抗体进行Western杂交的结果证明二者均为孵化酶分子。60kD分子很不稳定，在纯化过程中极易降解，40kD分子可能是由60kD分子经过降解或自身降解丢失了两个CUB重复区而形成的，而CUB重复区很可能在对受精膜分子结构的修饰或改造中具有重要作用。

In order to study the aldol condensation of 2.15-hexadecanedione on the surface of aluminium, the intermolecular condensation mechanism of acetone occurring on aluminum was simulated by using semi-empirical AM1 method embodied in MOPAC 6.0 program package. The optimized structures and geometry parameters of 5 transition complexes and 4 intermediates were given.First, 2 molecules of acetone coordinated with aluminum by electrostatic attraction.One atom of hydrogen of acetone migrated to aluminum because of t...

为了研究2，15－十六烷二酮在氧化铝表面的环合机理，选择小分子丙酮为模型化合物，用量子化学半经验AM1方法研究双分子丙酮在氧化铝表面的醛醇缩合机理，给出了反应过程中的5个过渡态和4个中间体的结构和几何参数，该催化反应可以认为是氧化铝分子与两分子丙酮分子发生静电络合作用，然后借助氧原子的负电荷导致脱氢并实现缩合，根据中间体的能量变化，推测有较稳定的铝复合物生成。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。