水分子

Among the 10 descriptors, the coplanarity of three phenyl substituents with the imidazole ring, the hydrogen-bond acceptance, the molecular weight and logP are the most important factors for the modulation efficacy.

借助半经验分子轨道法AM1和从头计算法RHF/6-31G计算得到分子的多种描述因子，采用多元线性回归方法进行了结构药效分析，基于分子的结构参数、接受氢键的能力、脂水分配系数等对药物分子半有效剂量的影响提出一套拟合效果比较理想的构效关系方程，其复相关系数和标准偏差分别为0.897和0.323。

Micro-molecular-cluster Ionic Water Bottle, one kind of medical instrument increasing the concentration of micro-molecular-cluster water, which is good at curing hyperpiesia, hypotension, coronary arteriosclerosis heart diseases, cerebral artery sclerosis, high fat blood symptom, etc.

小分子团离子水瓶，一种磁化处理水的医疗器械，增加水中小分子团水的浓度，治疗高血压、冠心病、脑动脉粥样硬化、高血脂、高黏血症等疾病。

RESULTS The SOD activity had linear correlation with pH in the range of pH 2.2-8.0 when SOD concentration was fixed. The varication of activity after ultrosonication had linear correlcation with fluoresent intensity at 340 nm. With increase of uhtrosonic frequency, the microenviroment of tyrosine and tryptophan inside the SOD molecule was changed, then the balance of hydrophokicity and hydrophilicity inside the molecule was broken, this induced the blue shift of synchronous spectrum band and decrease of SOD activity.

结果 SOD浓度一定、pH2.2~8.0时，活性与其线性相关，超声后活性差值与340 nm荧光强度差值的线性相关；随着超声次数的增加，蛋白质SOD分子内部的酪氨酸、色氨酸所处的微环境被扰动，打破了分子内部的疏水和亲水平衡，使蛋白质的活性降低，在荧光检测中观察到普通荧光谱带蓝移，同步荧光的荧光峰位总体呈现峰位蓝移和强度下降。

Its hydrophilic groups is the inside carbonyl and amine base, and its lipophilic groups is the inside hydrocarbon chain and outer methyl. PAMAM of integral generation basically has not the surface activity. Its reason is that its outer groups is acylamino groups having very strong hydrophilicity so as not to reduce the surface tension of water. PAMAM different from traditional surfactant, have not critical micelle concentration, and exist in the form of "unimolecule micelle" in water.

结果表明：半代的PAMAM水溶液的表面活性与其分子具有两亲结构有关，亲水基团是内部的羰基和胺基，亲油基团是内部的碳氢链和外层的甲基；整代的PAMAM水溶液基本上没有表面活性，其原因是其最外层基团是酰胺基，亲水性很强，不能降低水的表面张力；树状大分子与传统的表面活性剂不同，不存在临界胶束浓度，在水中是以&单分子胶束&形式存在。

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。

Take DMSO swollen treatment and DEA-SO2-DMSO decrystallization treatment for example, the X-ray diffraction and the Tobolsky's intermittent stress relaxation of treated woods were determined during soaking in water, analyzed the effects of water on crystal degree and inter-cohesion of treated woods. According to these continuous relaxation curves measured in water with different temperatures, various thermodynamic quantities were obtained by using Eyring absolute rate theory, and reviewed the chemical reactions in wood which occur in different relaxation process. For the first time quantify these crosslinkings formed in the process of tensional relaxation by using the SMCIR intermittent stress relaxation way, and defined the cross-linking reaction types. In order to find out the contribute of drying to the fixation of deformation of chemically treated wood, stress relaxation of oven-dry untreated and treated wood was measured during the process of temperature elevation and descend, then analyzed the effect of temperature change on relaxation mechanism of treated oven-dry wood. According to continuous relaxation curves of oven-dry treated wood under various constant temperature, calculated the thermodynamics of relaxation process and discussed the mechanism of molecule change in wood, at the same time, also quantified these cross-linkings produced in wood by intermittent method and on the basis of which the model of molecular change during relaxation process of chemically treated was constructed.

以DMSO膨胀处理及DEA- SO2-DMSO非晶化塑化处理为例，测定了两种处理木材在水浸渍过程中的X射线衍射及Tobolsky间歇应力松弛，分析了水对处理木材结晶度及内部凝聚力的影响；通过未处理和两种处理木材在不同温度水中的连续应力松弛测定，应用Eyring的绝对速度反应理论计算并获得了松弛过程中的各热力学量，分析了在水中松弛过程中不同阶段木材内部发生的化学反应；并首次采用SMCIR连续·不连续双曲线应力松弛法定量了轴向拉伸应力松弛过程中木材内部产生的架桥量，明确了交联反应的类型；为了了解干燥对处理木材塑性变形固定的影响，测定了未处理和两种处理绝干木材在温度下降过程和上升过程中的应力松弛，分析了温度变化对处理绝干木材应力松弛的影响；根据多个温度水平下的连续应力松弛测定曲线，计算松弛过程的热力学量，考察了绝干木材在松弛过程中内部发生的分子变化机理，同时也用间歇法定量了木材内部新形成的架桥量，并在此基础上构筑处理木材在松弛过程中内部分子构造的变化模型。

The evolution of the self-organization structure for multicomponent systems containing amphiphilic moleculae. We have gotten the rule about effects of the construction of the surfactant molecula and the interaction strengths among the surfactant, oil and water moleculae on the self-organization structure after the phase separation.

研究含有双亲分子的多元系统的自组织结构演化规律，得到表面活性剂分子与水、油分子的相互作用强度以及表面活性分子的构形对分离成的自组织结构的影响规律。

The magnetite with a mean diameter of 8nm was prepared by chemical coprecipitation methods. By the addition of nonionized oleic acid to the suspension of magnetite in solution during precipitation, the magnetite nanoparticles were coated with a double surfactant layer. A gel-like precipitated precursor is then formed because of the hydrophobic interaction among those coated units. By transferring of this precursor to an organic solvent, the surfactant double layer on Fe〓O〓 nanoparticles reduces to one; however, it still remains as a double layer by transferring to an alkaline aqueous solution. Both these cases give in stable colloids of superparamagnetic Fe〓O〓 nanoparticles.

从解决无机磁性Fe〓O〓颗粒与有机烯类单体的相容性入手，采用化学共沉淀法，制备了平均直径为8nm的超顺磁性Fe〓O〓颗粒，在制备过程中以非离子形式引入油酸，在Fe〓O〓颗粒表面形成一个具有双层结构的疏水外壳，并通过疏水相互作用凝聚成磁性Fe〓O〓凝胶，能够以单分子层结构形式溶解在非极性溶剂中，也能够以双分子层结构形式溶解在碱性水溶液中，形成稳定的超顺磁性Fe〓O〓溶胶。

Because of this property, water is preferentially adsorbed by these surfaces, and large organic compounds cannot compete with strongly held water for adsorption sites on the clay surfaces. Thus, Na-clays are ine_ective sorbents for small organic molecules. However, it is possible to modify the surface properties of clays greatly by neutralizing the anionic framework of layer silicates by using positively charged organic species such as alkylammonim ions. In the modi_ed form (HDTMA-bentonite), the clay surface may become organophilic and interact strongly with organic compounds. Textile dyes represent a relatively large group of organic chemicals. In an HDTMA-bentonite-dye system it is possible that adsorption may be enhanced by the hydrophobic interaction between the adsorbed dye molecule and HDTMA-bentonite.

O组给予亲水的性质到矿物表面，因为这水是吸附在这些表面，和大的有机化合物不能比有坚强的为了吸附位置在泥土表面，因而，Na—泥土是ine_ective吸附剂为了小的分子，希，它是可能的到更改的表面属性，泥土非常在抵销anionic层硅酸盐在用的结构 Positively负荷的物种例如alkylammonim离子，在mod i_ed形状，泥土表面可能变成organophilic和互相作用坚强地有机化合物，织物染料表现相关的大的组化学的，在HDTMA—斑脱土—染料系统它是可能的那吸附可能是提高在交互作用在中间吸附染料分子和HDTMA—斑脱土，interlamellarHDTMA的间隔—斑脱土是获得在substracting泥土层从的厚度实验上坚决的基础的间隔（d001）。

Each host molecule 1 crystallizes with two CH3OH and two H2O guest solvates locating in the large rhombic channels formed by the parallel arrangements of 1 with significant aromatic stacking interactions.

每个主体分子1同时与2个甲醇和2个水溶剂客体分子结晶，主体分子之间存在显著的芳环堆积作用，在晶胞中呈平行排列并形成大的菱形通道，客体分子位于此通道中。

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。