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These two penultimate residues TyrHC2 (140)α and TyrHC2 (145)βseem to play a more important role in propagating structural changes between different part of the molecule, such as the molecular surface,α〓β〓 interface and the haem proximal side in bar-headed goose Hb.

这二个Tyr残基在传递Hb分子不同部位的构象变化方面起了重要作用。如从Hb分子的表面至α〓β〓亚基交界面又至血红素临近侧。

In order to lower the Δn value and obtain broad mesophase range, new negative dielectrics anisotropy liquid crystal compounds 4a and 4b were designed by replacement a phenyl ring with a cyclohexyl ring in the common tolane liquid crystals.

为降低液晶分子的双折射率并获得宽液晶相区,用环己基替代传统二苯乙炔液晶分子中的一个苯环,得到一类结构新颖的含乙炔桥键的负介电各向异性液晶分子4a, 4b。

In this paper,- and (5)-2,2'-diethynyl-1,1'-binaphthyl with highly stable chiral configurations were employed as structural templates, and a new type of helical cyclophane compounds-3 and-3 were synthesized in enantiopure form by the introduction of benzyl sulfone through Sonogashira coupling reaction, followed by the treatment of disulfone with lithium diisopropylamide.

基於2,2'-二取代的联萘衍生物在手性构型上高度稳定的特点,分别从光学活性的-和-2,2'-二乙炔基-1,1'-联萘结构模板出发,通过Sonogashira偶连反应导入苄基碸,然后用二异丙基氨基锂处理制得的联萘二碸成功地合成了一种新的螺旋环芳分子-对映异构体-3和-3。

Though amines have beenstudied by MPI to a certain degree, there are few reports about the five kinds of moleculesstudied in this dissertation: methylamine, ethylamine, dimethylamin,propylamine and diethylamine molecules.

虽然关于胺类分子的MPI已经有一些研究,但关于本论文研究的五种分子——包括甲胺、乙胺、二甲胺、丙胺和二乙胺的工作很少有报道,大部分结果都是首次得到的,这些结果获得了有关简单烷烃胺类分子MPI过程的更全面详细的认识。

In chapter four, molecular imprinting polymers against amino acid derivatives utilizing 2-VP+AM as combined functional monomer and trimethylolpropane trimethacrylate as tribasic cross-linker were prepared and result was compared with those with the same amino acid derivative as the imprinted molecules utilizing ethyleneglycol dimethacrylate as dibasic cross-linker. It was found that cross-link intensity of the molecular imprinting polymer is higher when TRIM was utilized and baseline separation for the imprinted molecule could be achieved. When TRIM was utilized as cross-linker more molecule is imprinted during the polymerization.

第四章采用2-乙烯基吡啶+丙烯酰胺复合功能单体,考察了三元交联剂三甲氧基丙烷三甲基丙烯酸酯烙印氨基酸衍生物的情况,并与二元交联剂乙二醇二甲基丙烯酸酯烙印相同氨基酸衍生物的情况进行了对比,发现三甲氧基丙烷三甲基丙烯酸酯交联剂在较小的用量下就可使分子烙印聚合物达到足够的交联度,实现烙印分子的基线分离。

The equilibrium geometries of squaraines substituted by heteropentacyclic, benzo fuzed heteropentacyclic, heterohexacyclic, benzo fuzed heterohexacyclic, heptacyclic, benzo fuzed heteroheptacyclic and zwitterionic squaraines were obtained with ab initio calculation at HF/6-31G* level and the electronic spectra were examined using CIS/6-31G* method.

用从头算6-31G~*方法优化了多种五元杂环、苯并五元杂环、六元杂环、苯并六元杂环、七元环和苯并七元杂环取代的方酸分子以及方酸两性离子分子的几何结构;用CIS/6-31G~*方法计算了其电子光谱;通过TDHF/6-31G~*方法计算其线性极化率、一阶和二阶超极化率来研究分子结构和非线性光学性质之间的关系,同时用两态模型解释了部分分子的一阶超极化率。

The synthses of a new type of surfactant-sodium bis sulfuo-succinate was first reported, it could form reversed micelle with iso-octane. This reversed micellar system could extract macromolecular protein-hemoglobin as well as cyt-C.

首次报道了一种新型表面活性剂丁二酸二酯磺酸钠的合成,考察了它与异辛烷形成的反胶束体系在提取小分子的细胞色素C和相对分子质量较大的血红蛋白的行为。

Based on the conformational analysis of diphenylacetylene, which can be viewed as the structural unit of PAMs, a new method for analyzing ring strain energy is proposed and used to analyzing the ring stain energy and the structural characteristics of the PAMs.

基于对大环分子构单元二苯乙炔分子的构象分析,提出了一种新的环张力能分析方法,并且用这种方法分析了分子环张力特性和几何结构特性。

Numerical results show that torsion angle plays more important role in conducting behavior of the system with the dithiocarboxylate anchoring group.

结果发现添加官能团对4,4\'-二巯基联苯分子电输运性质影响不显著,但是连接方式的改变对分子电输运性质影响显著,双硫原子的连接方式比单硫原子的连接方式更加有利于分子的导电。

An improved chemical method for the determination of the molar substitution degree of hydroxyethyl guar gum has been described.

本文用模型小分子一缩二乙二醇的醚键断裂实验证明了可行性,羟乙基瓜尔胶上的羟乙基链段与过量对甲苯磺酸-乙酸酐在130℃下反应14hr,醚键完全断裂生成酯,并在pH=11条件下煮沸1hr使酯完全水解,转变为乙二醇。

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