查询词典 derivative

METHODS: Benzhydroxamic acid derivative E was artificially synthesized. The gastric cancer line 7901 was selected to serve as the target cell. The effect of medicine E on tumor cell activity was examined by cell culture technology in vitro. The change of morphology and the ultrastructure after treatment with medicine E was observed with the optic microscope and the electron microscope.

以胃癌细胞株7901为靶细胞，采用体外细胞培养技术评价苯异羟肟酸衍生物E对肿瘤细胞活性的影响，通过光学和电子显微镜对E药物作用后细胞形态学进行观察，用免疫组化和RT PCR方法检测细胞凋亡。

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。

Six ruthenium benzylidene complexes (60-65) containing pyridine derivative ligandsare prepared and three of them are new.

为此，合成了六个吡啶及其衍生物配位的钌卡宾配合物60-65，其中三个是新的。

Based on studies of RCM reaction of 50 and CM reaction ofacrylonitrile with 1-octene or 1-decene catalyzed by pyridine derivative-coordinatedruthenium benzylidene complexes, it can be concluded that ruthenium benzylidene complexwith the more labile dissociating ligand exhibits the higher initial activity and better catalyticperformance.

吡啶衍生物配位的钌卡宾配合物催化含氰基烯烃50闭环交互置换反应和丙烯腈与1-辛烯、1-癸烯交叉交互置换反应表明，催化剂中吡啶衍生物配体越易解离，其初活性越高，催化活性越好。

Benzylidene[1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene]dichloro(2-methylpyridine)ruthenium (62), benzylidene[1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene] dichloro(2,4-dimethylpyridine)ruthen ium (63) introduce ortho substituted pyridine as dissociating ligand to weaken Ru-N bondand accelerate dissociation of pyridine derivative ligand through steric hindrance.

在钌卡宾配合物[1，3-二-(2，6-二甲苯基)-4，5-二氢咪唑基]-苯亚甲基-(2-甲基吡啶)-二氯合钌(62)，1，3-二-(2，6-二甲苯基)-4，5-二氢咪唑基1-苯亚甲基-(2，4-二甲基吡啶)-二氯合钌(63)中，邻位取代的吡啶作为解离配体，通过邻位基团的空间效应削弱钌-氮配位键，使配体更易解离，提高了催化剂的初活性。

Betulin, extraction, solubility, betulinic acid, derivative, synthesis

关键字或关键词组：白桦酯醇，提取，溶解度，白桦酯酸，衍生物，合成

X-ray single crystal analysis of a new paramagnetic manganese complex with DTPA-BpABA (a DTPA- bisamide derivative), Mn·4H2O, shows that four oxygen atoms and three nitrogen atoms from the ligand coordinate to Mn cation, forming a seven-coordinate distorted pentagonal bipyramid polyhedron.

采用X-射线单晶衍射法对锰与DTPA-BpABA(DTPA-二酰胺衍生物)形成的一个新的顺磁性配合物Mn·4H2O进行了结构测定。

Experimental principles, instruments and techniques of studies based on selectivity recognition of calix [4] arene derivative complexing with metal ions, especially to some transition metals were described.

阐述了杯[4]芳烃衍生物对金属离子特别是过渡金属离子选择性识别的实验方法和原理。

The canonic OC expansion of the first-order Boolean partial derivative of the OC type logic function was discussed.

讨论了OC型逻辑函数一阶布尔偏导数的规范OC展开式。

Fromylsalicylic, the derivative of salicylaldehyde, is an important organic ligand that can be used to synthesize centrosymmetric polynuclear complexes.

牛磺酸是一种含硫氨基酸，它作为一种非蛋白质类氨基酸，是人体必需的重要氨基酸之一，其独特的生理、药理功能，决定了它在医药、食品、化工等方面有着广泛的应用。

Lugalbanda was a god and shepherd king of Uruk where he was worshipped for over a thousand years.

Lugalbanda 是神和被崇拜了一千年多 Uruk古埃及喜克索王朝国王。

I am coming just now,' and went on perfuming himself with Hunut, then he came and sat.

我来只是现在，'歼灭战perfuming自己与胡努特，那麼，他来到和SAT 。