苯胺的

For intramolecular electron transfer reactions in solution,the fluctuations of the intramolecular vibrational modes are much faster than that of solvent mode.Thus,the reaction-diffusion equation is commonly used to describe the motion of solvent,with a sink function to treat the vibrational high-frequency mode.Based on this theory-so -called the Sumi-Marcus theory,we proposed an imaginary-time split operator approach to solve the reaction-diffusion equation.The approach is applied to evaluate the intermolecular ET rate between oxazine 1 and N,N-dimethlaniline.By measuring the two average survival times of the donor state probability and the rate constant in long time limit,the full kinetics of the ET is revealed with a variety of sink functions.

对于扩散控制的溶液中的电子转移反应，分子内振动模的运动比溶剂运动快很多，Sumi-Marcus理论提出用反应扩散方程(reaction-diffusion equation)处理溶剂的扩散运动，而分子内的振动用sink函数来表示，我们基于此理论发展了用虚时间分裂算符的方法(imaginary-time Split operator approach)解反应扩散方程，并将其应用于嗪1(oxazine 1，OX1)和N，N-二甲基苯胺分子之间的电子转移反应，Sink函数采用几种不同的微扰表达式，通过计算得到给体几率衰减的两种平均速率和长时间极限下的速率常数，揭示了该体系电子转移过程中的一些动力学性质。

Their electrochemical behaviors for single solute and mixed systems of hydroquinone(H2Q) and pyrocatechol are investigated.A pair of redox peak of H2Q and two pairs of redox peaks of PC on the composite film electrodes can be obviously distinguished in their mixed systems,which show the composite film electrodes have excellent electrocatalytic activity for two ...

结果表明聚苯胺复合膜电极具有很好的电催化作用，在混合体系中对苯二酚的一对氧化还原峰和邻苯二酚的两对氧化还原峰能够清楚地区分；并且在一定的浓度范围内单组分的浓度与峰电流呈良好的线性关系，说明该电极对苯二酚的测定在定性、定量中具有潜在的应用价值。

From the calculations, it can be found that the van der Waals interactions, the hydrophobic interactions, as well as the H-bonding interactions are crucial for the ligand binding. The 4-phenylamino group can produce strong van der Waals adn hydrophobic interactions with the nonpolar side chains of the residues deep in the binding cleft. The R^1 and R^2 substituents on the bicyclic chromophore can also produce strong van der Waals and hydrophobic interactions with the residues located at the exterior part of the binding pocket. Moreover, the two N atoms of the quinazoline can form H-bonds with EGFR, which will produce significant contribution to biological activities. The calculated nonbonded interactions between anilinoquinazolines and EGFR, as well as the information obtained from the predicted complexes, can interpret the structure-activities of the inhibitors well, which can afford us important information for structure-based drug design.

从模拟结果得到的抑制剂和靶酶之间的相互作用模式表明范德华相互作用、疏水相互作用以及氢键相互作用对抑制剂的活性都有重要的影响，抑制剂的苯胺部分位于活性口袋的底部，能够与受体残基的非极性侧链产生很强的范德华和疏水相互作用，抑制剂双环上的取代基团也能和活性口袋外部的部分残基形成一定的范德华和疏水性相互作用，而抑制剂喹唑啉环上的氮原子能和周围的残基形成较强的氢键相互作用，对抑制剂的活性有较大的影响，计算得到抑制剂和靶酶之间的非键相互作用能以及抑制剂和靶酶之间的相互作用信息能够很好地解释抑制剂活性和结构的关系，为全新抑制剂的设计提供了重要的结构信息。

According to the result, we believed that the reason resulted in the low sensitivity was that the marker residue compound MQCA structure has changed after conjugated with protein and the antibody induced by the conjugation could not recognize the free MQCA in the ci-ELISA. Therefore we designed some hapten which could reserve the marker residue structural speciality mostly. After synthesis route selection and optimum, the hapten 7-Hydroxymethyl-3-methyl-quinoxaline-2-carboxylic acid was synthesized, used 4-methyl-2-nitroaniline as the start material via six steps, such as oxidation cyclization, bromize reaction, hydrolysis, Beirut reaction, reduction, hydrolysis. This work established basis for producing the high affinity antibody and developing the sensitive ELISA residue detection method.

本论文认为导致ELISA检测灵敏度较低的原因，是残留标示物和蛋白偶联后的特征结构发生改变，诱导产生的抗体不能够对游离MQCA很好的识别，因此，本论文设计了能够最大化保留MQCA结构特征的系列半抗原结构，并对其合成路线进行了筛选和优化，最终以对甲基邻硝基苯胺为起始原料，经氧化环化、溴代、水解、Beirut缩合、还原、水解六步反应制备含羟甲基结构的MQCA衍生物7-羟基甲基-3-甲基-喹噁啉-2-羧酸，为制备对游离残留标示物高亲和力的抗体，高灵敏度的ELISA残留检测方法的建立奠定基础。

Following studies had been performed:(1)repetitive WLT and real-time ultrasonography had been performed to 18 HS and 40 FD toassess the reproducibility and influencing factors.(2) correlations of WLT with symptomscore and electrogastrography had been analysed.(3) differences ofWLT between HS and FD had been compared.(4) methophenolane andimmunohistochemistry stain of gastric fundus mucosa biopsy from 40 FD patients hadbeen performed to analyse the correlations of symptom score and WLT with count andactivity of mast cells, 5-HT level, and H.Pylori infectious status.(5) the effect of oralsumatriptan to proximal stomach function in 10 HS and 10 FD had been assessed, so as toestablish the possible regulating mechanism of fundic relaxation, explore the therapeuticpotential and feasibility of sumatriptan on FD.Results:I. Evaluation of WLT and its application in FD management.

我们主要进行以下几个方面的研究：(1)对18名健康人及40名FD患者重复进行水负荷试验并结合B超声对近端胃的实时监测，评价水负荷试验结果的可靠性并分析其影响因素；(2)观察水负荷试验结果与症状积分及体表胃电结果的相关性；(3)比较FD患者和健康成人水负荷试验结果的差别；(4)对40名FD患者胃底粘膜活检组织进行免疫组化染色和甲苯胺蓝染色，观察FD患者的症状及水负荷试验结果与胃底粘膜肥大细胞、5-HT表达情况及H.pylori感染情况的相关性：(5)观察口服舒马曲坦对10名健康人及10名FD患者近端胃功能的影响，并由此推测胃底舒张运动调节的生理机制，探讨口服舒马曲坦治疗FD的可行性。

The results of batch experiments showed that the anaerobic biodegradation kinetics of 2-CNB and 4-CNB by granular sludge were follwed by first-order reaction. The nitro groups of 2-CNB and 4-CNB were more easily attacked by electron than chlorines and they were reductively biotransformed to amino groups under anaerobic conditions. The acclimated anaerobic granular sludge, which could dechlorinate 4-chloroanline to aniline, showed that it had the ability of para-dechlorinating. The anaerobic biodegradating on pathway of 2-CNB and 4-CNB were suggested as follows:AbstractIn ZVI(zero-valent iron, Fe0)-reduction system, the nitro groups of 2-CNB and 4-CNB were reductively transformed to amino groups.

2分批试验结果证明，颗粒污泥降解2-CNB和4-CNB遵循一级动力学，在厌氧条件下，CNB发生序列的硝基还原与脱氯作用，苯环上的硝基比氯原子更容易受到亲电子攻击，发生还原反应生成氨基；所获得的颗粒污泥具有对位脱氯活性，可使4-CA进一步脱氯形成苯胺。2-CNB和4-CNB厌氧降解的建议性途径为： ZVI(Zero-valentiron)对2-CNB和4-CNB的作用主要是将苯环上的硝基还原为氨基；在ZVI与污泥共还原转化体系中，ZVI对氯代硝基苯的硝基转化具有一定的促进作用，但因ZVI对中间产物的吸附特性，终产物形成速率趋慢。

In the results of the optical properties, these molecular monomers have different HOMO and LUMO energy gap such that there are dual-emission and energy transfer mechanism in solution fluorescence spectrum. In the study of the electrochemical properties, various of triphenylamine derivaties have different oxygen binding site and they make elecropolymerization happen or not. In the applications of the hole-transport materials, the performance of compound 21 is better than other compounds. The electropolymerized-film may have residual cation molecules so they can increase the concentration of hole-transport. Due to this reason , compound 21 is suitable to become hole-transport materials.

在光学研究方面，由於目标化合物内单体的HOMO及LUMO能阶差异，使得在溶液萤光放射上有双发射及能量转移的情形发生；在电化学研究方面，不同的三苯胺衍生物由於氧基的位置不同，使得取代基在间位的化合物有不错的电聚合效果；而元件的应用上，具有咔唑基团的化合物21由於在形成电聚薄膜后，可能有残余的阳离子态化合物，使得电聚薄膜内的电洞数浓度较高，因此与其他元件相比之下，有较低的启动电压和不错的元件效率。

The results of its intrinsic fluorescence spectroscopy and fluorescence phase diagram showed that when the guanidine hydrochloride concentration in denaturation solution was about 1.0 mol/L, there existed a partially folded intermediate of Bacillus amyloliquefaciens a-amylase during its unfolding procedure, which followed a three-state model; the result of its fluorescence probe showed that when the guanidine hydrochloride concentration in denaturation solution was about 1.0 mol/L, there existed some stable hydrophobic regions, which could interact with a hydrophobic reagent 8-anilino-1-naphthalene sulfonic acid, in the partially folded intermediate of Bacillus amyloliquefaciens a-amylase; and the results of fluorescence quenching using acrylamide and potassium iodide as quenchers showed the distribution of Trp residues in Bacillus amyloliquefaciens a-amylase in different denaturation solution, with the maximum number (8) of tryptophan residues in a partially folded intermediate Bacillus amyloliquefaciens a-amylase molecule could be quenched by potassium iodide; and the results of their protein electrophoresis and SEC showed that no aggregate or aggregate precipitation of Bacillus amyloliquefaciens a-amylase formed during the whole unfolding procedure of Bacillus amyloliquefaciens a-amylase induced by guanidine hydrochloride.

内源荧光光谱和荧光相图结果表明，当变性液中盐酸胍浓度约为1.0 mol/L时，芽孢杆菌a-淀粉酶的去折叠过程中出现一个部分折叠中间体，其去折叠过程符合&三态模型&；荧光探针结果表明，在溶液中盐酸胍浓度约为1.0 mol/L时，中间态芽孢杆菌a-淀粉酶分子中存在着能够与探针分子1-苯胺基-8-萘磺酸结合的稳定的疏水区域；荧光猝灭研究给出了不同程度变性的淀粉液化芽孢杆菌a-淀粉酶中的Trp的分布情况，结果表明中间态芽孢杆菌a-淀粉酶分子中能够被碘化钾猝灭的位于分子表面的色氨酸残基数目达到最大的8个；蛋白电泳和体积排阻色谱结果表明，在盐酸胍诱导的芽孢杆菌a-淀粉酶分子的整个去折叠过程中，不会以共价键或非共价键形式形成芽孢杆菌a-淀粉酶分子之间的集聚体或集聚体沉淀。

The results of its fluorescence probe showed that when the guanidine hydrochloride concentration in denaturation solution was about 1.0 mol/L,there existed some stable hydrophobic regions,which could interact with a hydrophobic reagent 8-anilino-1-naphthalene sulfonic acid,in the partially folded intermediate of Bacillus amyloliquefaciensα-amylase;with the denaturation concentration increasing,the stable hydrophobic regions disappered.the results of fluorescence quenching using acrylamide and potassium iodide as quenchers showed that using acrylamide as quenchers,with the protein denaturation extent increasing,the number of Trp that can be quenched increased untill all the Trp residues were quenched;Using potassium iodide as quenchers,with the maximum number(8) of tryptophan residues in a partially folded intermediate Bacillus amyloliquefaciensα-amylase molecule could be quenched by potassium iodide;with the denaturation concentration increasing,the number of Trp that can be quenched decreased to 5.the results of their protein electrophoreses and SEC showed that no aggregate or aggregate precipitation of Bacillus amyloliquefaciensα-amylase formed during the whole unfolding/refolding procedure of Bacillus amyloliquefaciensα-amylase induced by guanidine hydrochloride or urea.

ANS外源荧光探针结果表明：盐酸胍诱导的芽孢杆菌α-淀粉酶分子去折叠过程中存在着能够与探针分子1-苯胺基-8-萘磺酸结合的稳定的疏水区域；而随着芽孢杆菌α-淀粉酶分子在盐酸胍溶液中变性程度的加深，这一疏水区域逐步被瓦解。丙烯酰胺和碘化钾猝灭结果表明：在盐酸胍溶液中，随着芽孢杆菌α-淀粉酶分子变性程度的进一步加深，其分子内能够被丙烯酰胺接近的色氨酸残基逐渐增多，直至全部被猝灭。但位于芽孢杆菌α-淀粉酶分子表面的能够被碘化钾猝灭的色氨酸残基，在中间态芽孢杆菌α-淀粉酶分子中数目达到最大的8个，而随着其分子变性程度的进一步加深，反而减少至5个。

During this slow growth process, the in situ produced polyaniline with rigidly straight chain molecular structure plays a key role in achieving these layered assemblies by selectively but incompletely adsorbing on {111} facets of gold nanocrystals, which facilitates the generation of steps on {111} facets, resulting in the final gold product with layered structure.

在这个缓慢的反应过程中，原位生成的具有刚性直链分子结构的聚苯胺对金纳米晶的{111}晶面的选择性但又是不充分的吸附导致了垂直于该晶面的台阶状凸起的产生，最终导致了金纳米片的层状组装结构的生成。

What would he tell Judith and the children?

他将怎样告诉朱迪丝和孩子们呢？

I this is at that time, the opinion with peacockish true girl is full of in a heart.

这就是当时的我，一个心中布满虚荣的女孩子真实的想法。