分子

A novel type of photoalignment material based on the esterification reaction of 3,5-dihydroxyl benzyl alcohol and cinnamoyl chloride was firstly reported in this paper. The distinct property of this material is the nonlinear branch conformation and its polarity end with hydroxyl group.

通过在3，5-二羟基苯甲醇分子中的双酚基基团上引入双肉桂酰酯光敏基团的酯化反应，合成了一类新型的分子顶部为羟基极性基团，整个分子构型类似于树枝状的光敏小分子化合物。

Three models (star-shaped, H-shaped, and comb-shaped polyethylenes) are used to study the crystallization behavior of low-density polyethylene at the molecular level by means of molecular dynamics simulation.

3采用星型、&H&型、梳型三种结构的聚合物分子模型，利用分子动力学模拟，从分子水平上探讨了低密度聚乙烯模型分子的结晶机制。

A plausible process of this reaction is as following: Aldehyde was in equilibrium with the enol form, aldehyde reacted with aniline catalyzed by 2,2,2-trichloroacetic acid to afford imine, the generated imine immediately reacted with enol to form intermediate via intramolecular cyclization.

我们发现一分子芳基叠氮和一分子三苯基磷反应生成一分子磷亚胺，后者与由两分子取代的苯氧乙酰氯原位生成的烯酮反应生成4-亚烷基-β-烷基-内酰胺，其串联过程涉及烯酮亚胺的形成及其与烯酮的[2+2]的环加成反应。

For physisorption of organic molecules on chemically inert graphite, the interaction between the adsorbates and the substrate was very weak, which provided an opportunity to image the molecules with a minimum of substrate perturbation.

有机分子物理吸附在惰性基底石墨上时，分子和基底之间的相互作用很弱，吸附分子的STM图像反差主要由分子本身的性质决定。

In this study, according to the classification and activity of auxin plant hormones the authors carry out docking experiments with four auxins, IAA, 1-NAA, 2,4-D, 2-NAA, and the receptor.

依据生长素分子的分类以及生长素活性的不同，选取四种生长素分子IAA， 1-NAA， 2，4-D， 2-NAA分别与生长素受体分子进行分子对接计算研究。

Consequently we found two principal results in this investigation.(1) The crystal structures of molecular crystals formed from different chlorobenzoic acids and three kinds of organic bases showed that in addition to common hydrogen bondings, the weaker intermolecular interactions such as the C-H…O hydrogen bonding, the π-π stacking and electrostatic interaction play an important role in determining the packing modes of each molecular crystal.

在对双分子晶体结构的研究过程中，我们发现存在以下两条规律：（1）不同的氯苯甲酸与三种有机碱形成的双分子晶体的结构显示，除了常见的氢键作用外，弱的分子间相互作用，例如C-H…O类型的氢键、π—π相互作用、静电相互作用等对于不同分子堆积模式的形成也起到了很重要的作用。

But the conventional CoM FA exists some defects, including the selection of potential function of molecular field, the determination of bioactive conformers, the molecular alignment and the selection of variable of molecular fields, etc.

但传统的比较分子场分析方法在具体的实现过程中还存在着一些缺陷和不足，包括分子场势能函数的选择，活性构象的确定，分子的叠合以及分子场变量的选取等等。

Therefore, the pre-fabricated functional surface containing azide groups can be covalently anchored through click-chemistry by newly designed acetylene-appended HBCs. These HBC derivatives not only possess the potential in the formation of SAM, but their alignment modes of edge-on or face-on could be controlled by tailor-made molecular design.

因此，我们设计出末端带有乙炔官能基之HBC分子，希望在预先处理并带有叠氮(-N3)官能基的基板表面上进行click-chemistry (速配组合式化学、点击化学)，利用共价键之形式将HBC分子镶嵌於基板表面，除了藉此制作出分子自组装单层薄膜之外，利用分子设计进一步控制其排列方式为edge-on或是face-on。

The results of this work indicate that the humic macromolecule is composed of many humic molecules with different relative molecular mass and chemical compositions. These humic mo lecules are probably the humified products of various compounds in different hum ification processes. This implies the heterogeneous and complex compositions of the humic acid geomacromolecules.

本研究结果不仅说明环境中的腐殖酸分子是由许多相对分子质量不同、结构性质各异的腐殖酸分子组成，而且这些腐殖酸分子可能与腐殖酸形成过程中各种来源的物质在不同阶段的腐殖化产物有关，表明了腐殖酸类地质大分子物质的非均一性和复杂性。

Results of non-reducing sodium dodecyl sulphate polyacrylamide gel electrophoresis of the supernatant and aggregate precipitate formed in refolding process show that except being refolded to native egg white lysozymes, the reduced-denatured lysozymes can also form the aggregates with molecular weights being separately about 30.0 and 35.0 kD, while the reducing SDS-PAGE and the refolding results in the presence of sodium dodecyl sulphate show that these aggregates are formed chiefly through the misconnection of disulfide bonds between the reduced-denatured lysozymes, and the aggregate precipitates are formed through the non-covalent interactions between the aggregates with molecular weight being about 30.0 kD.

复性过程形成的上清和集聚体沉淀的非还原电泳结果表明，除了能复性成天然态的溶菌酶分子外，还原变性蛋白溶菌酶同时还能形成分子量分别约为30.0KD和35.0KD的蛋白溶菌酶分子集聚体；而它们的还原电泳和在SDS存在时的复性结果表明，这些集聚体主要是通过还原变性蛋白溶菌酶分子间的二硫键错配而形成，而集聚体沉淀则是通过分子量约为30.0KD的集聚体分子之间的非共价相互作用而形成。

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。