三醌基

To observe the oxygen derived free radicals scavenging of diterpenoid tanshinones by pyrogallol autoxidation systems.

目的：探讨丹参二萜醌对邻苯三酚自氧化反应产生的氧自由基的作用。

The main results are as follows.1. The UV-visible absorption spectra, the spin-trapping EPR measurements, and the DPA (9,10-diphenylanthracene) bleaching experiments showed that (1) HB-Net exhibits much improved light harvesting efficiency in the phototherapeutic window (600-900 nm) as the result of its remarkable absorption red shift with respect to HB;(2) HB-Net remains the generation abilities of semiquinone anion radical, superoxide anion radical, hydroxyl radical, and singlet oxygen, but with much lower efficiencies than that of HB, most likely due to its very short triplet excited state lifetime.

设计合成了寡聚吡咯酰胺修饰的竹红菌乙素衍生物HB-Net，利用紫外-可见吸收光谱、自旋捕获技术和DPA光漂白法详尽比较了HB-Net与HB的光动力性质，发现：(1) HB-Net的吸收光谱较HB有显著红移，在光疗窗口的吸光能力明显提高；(2) HB-Net能够产生半醌负离子自由基、超氧负离子自由基、羟基自由基和单重态氧，但由于其短的三重态寿命，这些活性物种的产生能力均弱于HB.2。

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 show that intramolecular hydrogen transfer is not favored in view of the energy trend along IHT coordinate in the region such as hypericin's peri region, where two hydrogens of hydroxyl groups bond with a common oxygen of carbonyl group and exists two IHBs in the peri region. However, intramolecular proton transfer often occur in the molecule with hexahydric cycle hydrogen bond, where only one pair of adjacent hydroxyl group and carbonyl group.

此外选择设计了一个具有三个分子内氢键的体系，兼具金丝桃蒽酮和其他苝醌类光敏剂的分子内氢键特点，研究表明两个羟基氢与共同的羰基氧形成的氢键由于存在较高的势垒，很难发生分子内氢传递，即具有金丝桃蒽酮端位结构的分子其分子内氢传递很难发生，而一般的能形成六元环状结构的分子内氢键体系容易发生分子内氢传递。

A second group includes those compositions, which include an organic polymeric binding material, eg, mixed cellulose esters of monobasic or dibasic acids such as cellulose acetate succinate; an addition-polymerizable ethylenically unsaturated compound, eg, vinylidene and vinyl monomers, preferably of the acrylic or alkacrylic ester type; eg, triethylene glycol diacrylate; and an addition-polymerization initiator which forms radicals under the influence of actinic radiation, eg, anthraquinone.

第二组包括那些作品，其中包括有机聚合物具有约束力的物质，例如，对一元或二元酸混合纤维素酯，如醋酸纤维素琥珀酸； 1此外，聚合ethylenically不饱和化合物，例如，偏和乙烯基单体，丙烯酸最好的或alkacrylic酯类型，如，三乙二醇二丙烯酸酯；和加成聚合引发剂的形式下光化辐射的影响自由基，例如，蒽醌。

Objective To explore the cytotoxicity on eight kinds of human cancer cell lines and apoptosis induction on human nasopharyngeal cancer cells(CNE_2) of a new semi-synthesized naphthoquinone derivative(2,3,11-triethanesulfanyl-6-isohexenylnaphthazarin,TEISHNZ).

目的探讨一种新的人工半合成紫草萘醌类衍生物(2，3，11-三乙巯基-6-异己萘茜，简称TE ISHNZ)。

Chloro-5,12-naphthacenequinone was synthesized from 2-(1-hydroxy-2-naphthyl)carbonylbenzoic acid by chlorination reaction using a mixture of phosphorus pentachloride and phosphorus oxychloride as a chlorating agent and then by ring-closing reaction using sulfuric acid as a dehydrating agent.

以2-[(1-羟基-2-萘基)羰基]苯甲酸为原料、五氯化磷/三氯氧磷为氯化剂进行氯化反应，然后用浓硫酸脱水环化，合成了6-氯-5，12-萘并萘醌，优化了反应条件，总收率达68.2%。

Compounds were identified by NMR etc, and they are veraflorizine 1, ebeinone 2, verticinone 3, isoverticine 4, trilinolein 5, phenanthrene 6, 2,5-dimethoxy-1,4-benzoquinone 7, tetradecane 8. All of them were isolated from this plant for the first time.

从安徽舒城县产舒城贝母的干燥鳞茎中分离得到了14个单体化合物，应用核磁共振等手段鉴定了8个化合物的结构，其中4个化合物为异甾体生物碱，4个为非生物碱，分别为：veraflorizine 1、鄂贝乙素2、浙贝乙素3、异浙贝甲素4、三亚麻油酸甘油酯5、菲6、2，5—二甲氧基苯醌(2，5-dimethoxy-1，4-benzoquinone)7和正十四烷8，这些化合物均为首次从该植物中分离得到。

In this thesis, shikonin, cryptotanshinone and 5-fluorouracil (5-FU) were selected as the objects for several aspect studies: In Chaper 2, the electrochemical behavior of shikonin was investigated by cyclic voltammetry, linear sweep voltammetry, chronocoulometry and bulk electrolysis with coulometry on a glassy carbon electrode. Triple strand DNA modified electrode was preparated and used to investigate the interaction of shikonin with DNA. It was found that it is hydroquinone of shikonin to embed in DNA and interacted with guanine and adenine of DNA.

本论文以紫草素、隐丹参酮和5-氟尿嘧啶三种抗癌药物为研究对象，做了以下几个方面的工作：在论文的第二章，我们研究了紫草素的电化学基本性质，初步探讨了三链DNA 修饰电极的制备，并利用该修饰电极研究紫草素与DNA 的相互作用，得出主要是紫草素的氢醌与DNA 的G、A 碱基间发生嵌插作用的结论。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。