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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。

The RAPD results illustrate that the phylogenetic relationship betweenBothriocephalid tapeworm parasitic in Grass carpCtenopharyngodon idellus(C.et V.and Common carp(Cyprinus carpio L.)from different regions ofChina is infraspecific with noticeable variance bwtween them.Thephylogenetic trees based on the 3 sequences analyses above are constructed,which show the following relationships:Bothriocephalid tapeworms fromGrass carp,Common carp and Luciobrama are found to be monophyletic,and are very close to Bothriocephalus opsariichthydis,but are divergent toanother monophyletic group comprising Bothriocephalid tapeworms fromZacco,Hemiculter and Leuciscus.On the basis of phylogenetic reconstruction,autapomorphic species conceptis used in species delimitation suitablefor determining four species in the present study:B.acheilognathi,B.opsariichthydis,and two other bothriocephalids parasitic respectively inHemiculter and Leuciscus.It is also deduced that the differentiation time ofBothriocephalid tapeworms parasitic in cyprinids is earlier than that of theirhosts,and the most recent specification happened about one million yearsago.Key words Bothriocephalid tapeworm Molecular Systematics

具体成果有:通过RAPD分析探明了我国不同地理分布的草、鲤鱼头槽绦虫的亲缘关系属于种下水平,并存在较高变异;通过基因合并分析重建头槽绦虫的系统发育关系,表明草鱼、鲤鱼及鯮鱼头槽绦虫是单系群,它们与马口鱼头槽绦虫亲缘关系较近,而与〓条、宽鳍鱲及雅罗鱼头槽绦虫构成的另一单系群亲缘关系较远;在此基础上,提出符合头槽绦虫种的界定的独征物种概念,据此确定鲤科鱼类寄生头槽绦虫的四个种:鱊头槽绦虫,马口鱼头槽绦虫,以及另两种分别寄生于〓条和雅罗鱼的头槽绦虫:根据上述研究推断鲤科鱼类寄生头槽绦虫的分化年代早于其宿主,最近的一次物种形成距今约一百万年左右。

The results showed that the niche breath of 9 species are wide, and that the species are pioneer in mine spoil Nanjing Mufu Mountains, the niche breath of Broussonetia papyrifera is wide, but the niche overlap with other species is little.

结果表明:研究的9个树种的生态位总体比较接近,都有比较宽的生态位,从群落形成的时间分析,这些树种是在矿区废弃地上的先锋树种,对废弃地有较强的适应能力。

Made a familia key to Chinese Collembola; Identified 54 species from China, which including 4 new record and 9 new species; List all the 294 species reported in China now with their geographical distribution.

编写国内跳虫分科的检索表;鉴定全国各地标本54种,报道中国新种9种和新记录种4种;并整理国内已报道的294种跳虫的名录和分布地区。2。

The studies started with the traditional taxonomy of Collembola, emphasized to reveiew several Chinese familiar groups in soil such as Hypogastruridae and Neanuridae based on their external morphological characters, reported new species and new record species to China, and made a checklist of all the reported Chinese species.

本研究从弹尾纲的形态分类入手,在掌握弹尾纲各个类群主要的外部形态分类特征基础上,着重整理、鉴定了国内弹尾纲的球角科、疣科等土壤内常见类群,补充报道了中国新种和新记录种,整理了国内已知跳虫的名录。

Cosmopolitan species; world species; cosmopolite; cosmopolitic species

能广泛分布于世界各大洋或淡水各区域中的生物种。

Among them, Anourosorex squamipes(49.55%) and Apodernus agrarius(45.34%) were the dominant species, Crocidura shantungensis(3.60%) was the common species, and Rattus norvegicus(0.90%) was the rare species. Seen from the quantity fluctuation of rat?shape mammals, there were two peaks in the whole year.

结果 乐山市&三江&河漫滩鼠形动物的群落结构组成为&微尾鼩+黑线姬鼠+山东小麝鼩+褐家鼠&,其中微尾鼩(49.55%)和黑线姬鼠(45.34%)为优势种,山东小麝鼩(3.60%)为普通种,褐家鼠(0.90%)为稀有种。

This supported that Stemonaceae should be separated from Liliales and placed in Pandanales. Affinities and speciation of the species in Croomia The two Asian species of Croomia were more closely related to each other than either is to Northern American species.

Croomia的种间关系该属的3个种中,北美的C.pauciflora与两个亚洲种在分子树上已经分歧,根据单倍型和分子树该种与亚洲种的分离时间较早,很可能是从C.japonica的日本居群衍生形成或迁移到北美大陆的。

These suggest that Pinus massoniana, the pioneer species at early succession stage of forest community, is the plant species adapted to high light intensity, while Cryptocarya concinna, a species at succession climax stage has an advantage in light utility under low light environment.

这说明群落早期演替的先锋树种马尾松属于强阳生性树种,具有适应强光的特点,而处于群落演替项级阶段的优势种黄果厚壳梓则能更加充分利用低光生长环境中的光强,同时也可通过提高电子流向光呼吸分配的比例来避免自然光环境中强光的伤害。

Studies on the relationship of species showed that overall association of Cunninghamia lanceolata forest was significant positive correlation and the community was at a stable stage.In 22 species,7 species pairs exhibited highly significant positive or negative association.

种问关联性的分析表明,杉木林群落总体相关性表现出显著的正相关,反映了该群落的稳定性。22个树种,具有显著正联结或负联结的种对有7对。

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相关中文对照歌词
Original Species
Female Species
Endangered Species
Endangered Species
Lights Of Endangered Species
Introduced Species
Dominant Species
Endangered Species
Species
Rare Species (Modus Operandi)
推荐网络例句

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。

There is no differences of cell proliferation vitality between labeled and unlabeled NSCs.

双标记神经干细胞的增殖、分化活力与未标记神经干细胞相比无改变。