二分子的

The fluorescence properties of complexes of europium with β-diketone and terbium with benzoic acid and its derivatives were analyzed and the synergic effect of the second ligand was illustrated from the energy matching of the minimum triplet state of ligands and the resonance energy level of rare earth ions.

提出了掺杂离子荧光增强效应的机理。 4。首次采用ab initio CIS方法，在劈裂价层基组3—21G水平上对各配体进行了量化计算，系统分析了前线分子轨道特征和激发态的能级，从配体最低激发三重态能级与稀土离子共振能级的能级匹配，分析了铕与β-二酮的配合物的荧光性能和铽与苯甲酸系列衍生物的配合物的荧光性能，解释了第二配体的协同效应。

The establishment and relaxation processes of the transient gratings, which are formed by two recording 514nm beams with different polarization directions, SS, PP, SP and ±45℃, are investigated. Using the weak absorption of the chromophores at 632. 8nm and the positive dichroism of the chromophores molecules, a kind of bi-photonic transient gratings, owing to the periodic distribution of Trans and Cis isomers, is established first time in azo-dye doped polymeric bulk sample.

实验考察了两束514nm的写入光在不同偏振情况下（SS，PP，SP和±45），在样品中形成的瞬态栅的建立和弛豫情况；利用偶氮生色团在632.8nm波段的微弱吸收和生色团分子的正二向色性，首次在块状偶氮聚合物材料中形成一种基于生色团反式和顺式异构体密度分布的双色光瞬态栅；利用瞬态栅的快速建立和弛豫，考察了其在衍射型全光开关方面的潜在应用。

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

This paper makes detailed discussion on production process of millable polyurethane elastomers, points out that plasticity has close contact with production process of MPU and product quality.

详细论述了混炼型聚氨酯弹性体的加工过程和特性，通过实验指出了生胶可塑度与MPU的加工过程和质量有密切的关系，影响可塑度的因素有生胶中硬链段的含量、聚酯二醇的结构和生胶的分子

This study is design and preparation of active peptide analogues of mung bean trypsin inhibitor Lys fragment, Trichosanthes trypsin inhibitor I, carcinoembryonic antigen peptide and aspartame using solid and liquid phase peptide synthesis methods.

本论文研究活性多肽类似物的设计、制备和功能，分为四个部分，采用多肽固相和液相合成的方法，分别合成了活性多肽绿豆胰蛋白酶抑制剂 Lys片段长链16肽、天花粉胰蛋白酶抑制剂、癌胚抗原肽、甜味肽等一系列类似物，并测定了这些类似物的生物活性，有以下新的研究结果：1、furin酶抑制剂的设计、制备和功能；2、芳香氨基酸芳环之间的π-π共轭能部分补偿二硫键的作用；3、癌胚抗原肽Gly4被L-Pro替代可增加与HLA-A2分子的结合；4、肽键对甜味肽保持甜味是必须的。

According to Johnson's Rule and IR spectra, their possible structures are suggested. The bonding parameters of those complexes are calculated by ESR parameters. And the crystal field parameters are calculated by using electronic spectral data. It can be seen that the vanadyl complexes in the solution are ionic complexes and that the α〓 values of those complexes decrease following the increasing of the N donor replacing the O donor of water on the equatorial plane in those complexes. This means that the covalent bonding between vanadium and ligand increases as Ser, Phen or Bipy replace water ligands. The results show the competitive coordinate law that the coordination reactivity of Phen and Bipy is much stronger than that of Ser. The simulation program of ESR is compiled by the theory of ESR in the present work.

测定了VO-丝氨酸二元体系、VO-丝氨酸-邻菲咯啉三元体系和VO-丝氨酸联吡啶三元体系在不同酸度下（pH=1.0～14.0）的乙二醇／水（V／V=1：1）溶液低温ESR谱，发现不同pH下，溶液中具有不同组成的配合物，根据不同pH下ESR谱的变化，利用Johnson的加合规则并结合红外光谱，推测了它们在溶液中的可能结构；利用波谱参数计算了配合物键参数；利用电子光谱数据计算了配合物的晶体场参数，讨沦了它们的成配特性，结果表明：VO配合物属离子型配合物，随取代水分子的配体（Ser、Phen或Bipy）数目增加，键参数减小，配合物共价性增强，同时得出这些体系中，生物配体竞争配位规律：Phen和Bipy与VO的配位能力比Ser强。

Highly active, small-molecule furin inhibitors are attractive drug candidates to fend off bacterial exotoxins and viral infection. Based on the 22-residue, active Lys fragment of the mung bean trypsin inhibitor, a series of furin inhibitors were designed and synthesized, and their inhibitory activity toward furin and kexin was evaluated using enzyme kinetic analysis. The most potent inhibitor, containing 16 amino acid residues with a Ki value of 2.45×10~(-9) M for furin and of 5.60×10~(-7) M for kexin, was designed by three incremental approaches.

本论文研究活性多肽类似物的设计、制备和功能，分为四个部分，采用多肽固相和液相合成的方法，分别合成了活性多肽绿豆胰蛋白酶抑制剂Lys片段长链16肽、天花粉胰蛋白酶抑制剂、癌胚抗原肽、甜味肽等一系列类似物，并测定了这些类似物的生物活性，有以下新的研究结果：1、furin酶抑制剂的设计、制备和功能；2、芳香氨基酸芳环之间的π-π共轭能部分补偿二硫键的作用；3、癌胚抗原肽Gly4被L-Pro替代可增加与HLA-A2分子的结合；4、肽键对甜味肽保持甜味是必须的。

The aniline HDN was strongly stressed by the presence of quinoline and DHQ and the HDN of quinoline proceeds exclusively via a pathway which involves fully saturated intermediates on the MCM-41-supported nickel phosphides. The HDN activity of nickel phosphide catalyst was dramatically reduced by the presence of H2S and DBT, probably due to the strong adsorption of H_2S and DBT on active sites which inhibited the adsorption of quinoline.

喹啉和DHQ对苯胺的HDN反应有强烈的抑制作用，喹啉在磷化镍催化剂上几乎全部通过完全加氢饱和路径进行反应。H_2S和二苯并噻吩强烈地吸附在磷化镍催化剂活性中心上，阻碍了反应物分子的吸附，从而对喹啉的HDN反应有强烈的抑制作用。

From there, he fell in with a slightly hysterical clutch of hard-right priests and nationalists, one of whom gave him his first job, on a small Belgian Catholic newspaper, the Vingtieme Siecle, which fervently supported the monarchy, Belgian missionaries in the Congo and Mussolini and loathed the Bolshevik atheists running Russia and "Judeo-American" capitalism.

从那时起，他就投入了一些极右派牧师和狂热的国家主义分子的怀抱。这些人其中的一位给了他第一份工作：为一家名叫&二十世纪报&的巴尔干天主教报纸打工。该报热烈地支持君主制，在刚果的巴尔干传教士和墨索里尼；痛恨统治俄国的布尔什维克无神论者和犹太人主导的美国资本主义。

From there, he fell in with a slightly hysterical clutch of hard-right priests and nationalists, one of whom gave him his first job, on a small Belgian Catholic newspaper, the Vingtieme Siecle, which fervently supported the monarchy, Belgian missionaries in the Congo and Mussolini and loathed the Bolshevik atheists running Russia and "Judeo-American" capitalism.

从那时起，他就投入了一些极右派牧师和狂热的国家主义分子的怀抱。这些人其中的一位给了他第一份工作：为一家名叫&二十世纪报&的比利时天主教报纸打工。该报热烈地支持君主制，在刚果的比利时传教士和墨索里尼；痛恨统治俄国的布尔什维克无神论者和犹太人主导的美国资本主义。

But we don't care about Battlegrounds.

但我们并不在乎沙场中的显露。

Ah! don't mention it, the butcher's shop is a horror.

啊！不用提了。提到肉，真是糟透了。