过氧乙酰

Amino desacetoxycephalosporanic acid (7 - ADCA) is an ampholyte.

7-氨基去乙酰氧基头孢霉烷酸是两性化合物，从等电点两侧改变溶液的 p H值都可以产生过饱和度并结晶得到晶体产品，本文对 7-ADCA两种方法结晶的初级成核过程进行了研究。

From 3-chloropropene bycondensation with sodium ethylate in ethanol to form 3-ethoxypropene followed by anti-Markovnikov addition with HBr inthe presence of benzoyl peroxide.

3-氯丙烯与乙醇钠在乙醇中回流制得3-乙氧基丙烯，继而在过氧苯甲酰存在下，与溴化氢经反马氏加成制得1-溴-3-乙氧基丙烷，总收率89。

Several transient compounds were synthesized by the homo- and heterogeneous reactions of reactive halogen compounds, In-situ ultraviolet photoelectron spectroscopy and photoionization mass spectroscopy as well as theoretical calculations were used to study their molecular structures, stability and molecular orbital properties, their electronic structures and geometric structures were obtained for the first time; Simultaneously, the electronic structure and thermal dissociation of acetyl peroxynitrate and trifluoroacetyl peroxynitrate which have great importance in the atmospheric chemistry were studied; The substituent effects of series of halopyridines and halothiophenes were studied by the ultraviolet photoelectron spectroscopy method for the first time. The atmospheric chemical reaction between peroxyacetyl radicals with IO radicals as well as the dissociation of the most stable isomer of CH3COIO3 were calculated by density functional theory, it was found that the CH3COOIO2 isomer may be act as a new reservoir of inorganic iodine in the stratosphere.

通过活性卤素的系列均相与非均相化学反应合成了几种瞬态物种，采用原位紫外光电子能谱和光电离质谱结合量子化学理论计算对化合物的分子结构、稳定性以及分子轨道特性进行了研究，首次获得了这些物种的电子结构和几何结构的信息；同时研究了大气中有重要作用的乙酰过氧硝酸酯和三氟乙酰过氧硝酸酯的电子结构性质及热解过程；采用紫外光电子能谱手段首次研究了系列卤代吡啶和噻吩的取代基效应；通过量子化学理论计算研究了乙酰基过氧自由基与IO自由基的大气化学反应及其最稳定异构体CH3COOIO2的解离，发现该物种可能是无机碘化合物在平流层中的储库物种。

By the state-level key high-tech enterprises - Jinke Technology Group Holdings initiated the establishment of the Company, Ltd., founded in May 2001, is located in China's economy the most dynamic Yangtze River Delta, Hangzhou Bay the south bank of Hangzhou Bay Fine Chemical Park, adjacent to Shanghai Port and Ningbo Port, is the factory covers an area of 880 acres, with more than 600 employees, specializing in the production of sodium percarbonate, tetraacetylethylenediamine, sodium perborate, solid peracetic acid and sodium acetate.

浙江金科化工股份有限公司系由国家级重点高新技术企业－金科科技集团控股发起设立的股份有限公司，创建于2001年5月，地处中国经济最具活力的长江三角洲地区，杭州湾南岸的杭州湾精细化工园区毗邻上海港与宁波港，现厂区占地880亩，拥有员工600余名，专业生产过碳酸钠、四乙酰乙二胺、过硼酸钠（SPB、固体过氧乙酸及醋酸钠。

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。

Results Eleven compounds were obtained and identified as sarcodonin A, scabronine B, 3β-hydroxy-5α, 8a-epidioxyergosta-6, 22-dien,(22E, 24R)-ergosta-7, 22-diene-3β, 5α, 6β-triol,(22E, 24R)-ergosta-7, 22-diene-3β-ol, benzoic acid, 4-hydroxylben-zaldehyde, 4-monopropanoylbenzenediol, ethy1-β-D-glucopyranoside, thioacetic anhydride,(2S, 2'R, 3S, 4R)-2-(2-hydroxyoctadecanoylamino) docosane-1, 3, 4-triol.

结果共分离鉴定了11个化合物，分别是：sarcodonin A、scabronine B、3β羟－5α，5α-过氧麦角甾－6，22-二烯－3β-醇、(22E，24R)-麦角甾－7，22-二烯－3β，5α，6β三醇、(22E，24R)-麦角甾－7，22-二烯－3β-醇、苯甲酸、对羟基苯甲醛、对羟基苯甲酸乙酯、乙基－β-D-吡喃葡萄糖苷、硫代乙酸酐、（25，2'R，3S，4R）-2-（2-羟基－十八碳酰胺）二十二碳烷－l，3，4-三醇。

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。