水化合物

The bond angle of O-M-O for the two complexes are in excellent agreement with each other.

化合物4和5的差热分析也表明化合物有一个非配位水和两个配位水。

Its universality: its democratic equality and constancy to its nature in seeking its own level: its vastness in the ocean of Mercator's projection: its unplumbed profundity in the Sundam trench of the Pacific exceeding 8000 fathoms: the restlessness of its waves and surface particles visiting in turn all points of its seaboard: the independence of its units: the variability of states of sea: its hydrostatic quiescence in calm: its hydrokinetic turgidity in neap and spring tides: its subsidence after devastation: its sterility in the circumpolar icecaps, arctic and antarctic: its climatic and commercial significance: its preponderance of 3 to 1 over the dry land of the globe: its indisputable hegemony extending in square leagues over all the region below the subequatorial tropic of Capricorn: the multisecular stability of its primeval basin: its luteofulvous bed: its capacity to dissolve and hold in solution all soluble substances including millions of tons of the most precious metals: its slow erosions of peninsulas and islands, its persistent formation of homothetic islands, peninsulas and downwardtending promontories: its alluvial deposits: its weight and volume and density: its imperturbability in lagoons and highland tarns: its gradation of colours in the torrid and temperate and frigid zones: its vehicular ramifications in continental lakecontained streams and confluent oceanflowing rivers with their tributaries and transoceanic currents, gulfstream, north and south equatorial courses: its violence in seaquakes, waterspouts, Artesian wells, eruptions, torrents, eddies, freshets, spates, groundswells, watersheds, waterpartings, geysers, cataracts, whirlpools, maelstroms, inundations, deluges, cloudbursts: its vast circumterrestrial ahorizontal curve: its secrecy in springs and latent humidity, revealed by rhabdomantic or hygrometric instruments and exemplified by the well by the hole in the wall at Ashtown gate, saturation of air, distillation of dew: the simplicity of its composition, two constituent parts of hydrogen with one constituent part of oxygen: its healing virtues: its buoyancy in the waters of the Dead Sea: its persevering penetrativeness in runnels, gullies, inadequate dams, leaks on shipboard: its properties for cleansing, quenching thirst and fire, nourishing vegetation: its infallibility as paradigm and paragon: its metamorphoses as vapour, mist, cloud, rain, sleet, snow, hail: its strength in rigid hydrants: its variety of forms in loughs and bays and gulfs and bights and guts and lagoons and atolls and archipelagos and sounds and fjords and minches and tidal estuaries and arms of sea: its solidity in glaciers, icebergs, icefloes: its docility in working hydraulic millwheels, turbines, dynamos, electric power stations, bleachworks, tanneries, scutchmills: its utility in canals, rivers, if navigable, floating and graving docks: its potentiality derivable from harnessed tides or watercourses falling from level to level: its submarine fauna and flora, numerically, if not literally, the inhabitants of the globe: its ubiquity as constituting 90 percent of the human body: the noxiousness of its effluvia in lacustrine marshes, pestilential fens, faded flowerwater, stagnant pools in the waning moon.

50它的普遍性，它的民主的平等性，以及保持着它自身求平的本质。用墨卡托投影法在地图上所标示出的浩淼的海洋；太平洋中巽他海沟那超过八千噚的不可测的深度；永不消停、后浪推前浪地冲刷着海岸线每一部位的波涛以及水面上的微粒子；水的单位粒子的独立性；海洋变幻莫测；根据液体静力学，风平浪静时它纹丝不动；根据液体动力学，小潮大潮时它便涨了起来。暴风雨后一片沉寂；北极圈与南极圈冰冠地带的不毛性以及对气候及贸易的影响；跟地球上的陆地相比占三对一优势；它在亚赤道带南回归线以南的整个区域延伸无数平方海里的绝对权威；其在原始海盆里数千万年以来所保持的稳定性；它那橙红色海床；它那把包括数百万吨贵金属在内的可溶解物质加以溶解，并使之保持在溶解状态的性能；它对半岛和有下陷趋势的岬角所产生的缓慢的浸蚀作用；其冲积层；其重量、容积与浓度；它在咸水湖、高山湖里的静谧；其色调因热带、温带和寒带而变为或浓或淡；与陆上的湖泊、溪流及支流汇合后注入海洋的河川，还有横跨大洋的潮流所构成的运输网。沿着赤道下面的水路自北向南的湾流；海震、水龙卷、自流井、喷泉、湍流、漩涡、河水暴涨、倾盆大雨、海啸、流域、分水岭、间歇泉、大瀑布、漩流、海漩、洪水、泛滥、暴雨等滥施淫威；环绕陆地的上层土壤那漫长的曲线；源泉的奥秘可用探矿杖来占卜或用湿度测定器来揭示；阿什汤大门的墙壁上的洞、空气的饱和与露水的蒸发能够证明那潜在的湿度；水的成分单纯，是氢二、氧一的化合物；水的疗效；水的死海里的浮力；它在小溪、涧谷、水坝的缝隙、船舷的裂口所显示的顽强的浸透性；它那清除污垢、解渴、灭火、滋养植物的性能；作为模范和典型，它的可靠性；它变化多端：雾、霭、云、雨、麦、雪、雹；并在坚固的消防龙头上发挥出压力；而且千姿百态：湖泊、湖岔、内海、海湾、海岬、环礁湖、环状珊瑚岛、多岛海、海峡、峡江、明奇、潮汐港湾、港湾；冰河、冰山、浮动冰原显示出它是何等坚硬；在运转水车、水轮机、发电机、发电厂、漂白作坊、鞣皮厂、打麻厂时，它又是那样驯顺；它在运河、可航行的河川、浮船坞和干船坞所起的作用；潮汐的动力化或利用水路的落差使它得以发挥潜力；海底那些成群的动物和植物虽然并非名副其实地栖息在地球上，论数目却占地球上生物的一大半；水无所不在，占人体的百分之九十；在沼泽地、闹瘟疫的湿地、馊了的花露水以及月亏期那淤积污浊的水塘子，水所散发的恶臭充满了毒气。

Mn-complexes in which Mn atom ligand with the N atom within ligand can stimulate the recovery of electron transfer and oxygen evolution. The trinuclear Mn-complex is extremely sensitive to the addition of CaCl2. It is suggested that there is an interaction between Ca2 and carboxyl within the trinuclear Mn-complex during photoactivation and this interaction benefits the ligation of Mn atom to the apo-WOC and form an active WOC. Binuclear MnMn complex shows slightly higher efficiency than binuclear MnMn complex in restoration of O2 evolution activity. It is suggested from our results that recovery of electron transport and O2 evolution with synthetic Mn-complexes is affected by different factors. Cl- can stimulate the reconstitution of WOC at the concentration of over 100mM;the maximal recovery of O2 evolution activity requires the presence of CaCl2 and 33 kDa protein polypeptide together. Bicarbonate can stimulate the reconstitution of WOC.

锰配合物中锰原子与配体中的氮原子配位连接时，能显著恢复电子传递活性和放氧活性；三核锰化合物在重组时对CaCl2的存在非常敏感，我们认为Ca2 与三核锰化合物中的羧基之间存在一定的相互作用，而这种作用有助于锰原子的光配位进而使三核锰化合物易于组装成有活性的水氧化复合物：双核锰化合物MnMn比双核锰化合物MnMn在恢复放氧活性方面更有效；影响锰化合物电子传递能力恢复的因素与影响锰化合物放氧活性恢复的因素不同；在锰蔟重组过程中，氯离子的浓度必须在100mM以上，才能有效进行光重组；最大光重组效率的获得必须有钙离子和33kDa多肽同时存在；碳酸氢根离子促进锰化合物与去锰光系统II的光组装。

Analytical results showed that the upper clear liquid of pyrolysis oils was mainly consisted of water-soluble substances,such as phenol,cresol,xylenol,sugars,hydantoins,morpholines,pyranones and pyridine derivatives compounds,etc.,while the lower sediment was mainly insoluble or hardly water-soluble substances,such as the big substituent phenolics(the number of substituent carbon atoms of which is greater than or equal to 2),aryl phosphate esters,fatty acid esters and nitrile compounds,and so on.

研究表明，热解油上层清液主要是一些较易溶于水的物质，如苯酚、甲酚、二甲酚、糖类、乙内酰脲类、吗啉类、吡喃酮类和吡啶类化合物等；而下层沉淀则主要为不溶或难溶于水的物质，如大取代基酚类（取代基碳原子数≥2）、磷酸三芳基酯类、脂肪酸酯类和腈类化合物等。

Density Functional Theory method was used to optimize the geometries of 209 PCDE molecules, 209 PBDE molecules and 75 PCDD molecules at the B3LYP/6-31G* level. Using computed structural parameters as theoretical descriptors, the forward stepwise multiple regression technique was adopted to obtain QSPR models of environmental partition properties for these POPs by using GQSARF 2.0 and SPSS12.0 for windows programs. The obtained QSPR models are as follows:(1) QSPR models for predicting subcooled liquid vapor pressure, n-octanol/water partition coefficients lgK_(ow and subcooled liquid water solubilities -lgS_(w,l of PCDEs, of which correlative coefficients (R~2) are 0.988, 0.958 and 0.959 and the root-mean-square-error of estimation are 0.134, 0.116 and 0.327 respectively.(2) QSPR models of lgPL and n-octanol/air partition coefficients lgK_(oa for PBDEs, which both contain three structural parameters. The values of R2 for the two models are both 0.997 while the values of RMSEE are 0.073 and 0.062 respectively.(3) QSPR models of lgKow and–lgS_ for PCDEs, which both have one variable (mean molecular polarizability,α). The values of R~2 for the two models are 0.978 and 0.866 and the values of RMSEE are 0.300 and 0.270 respectively.(4) The molecular structures of 24 substituted naphthaline compounds were optimized using Hartree-Fock and DFT methods at four different levels and the same means was used to obtain four three-parameter (EHOMO, q~+ andα) QSPR models of lgK_. The model at the HF/6-311G** level is the best one of which R2 is 0.9662 and RMSEE is 0.380.(5) QSPR study for environmental partition properties of PCDEs was also performed using position of Cl substitution method in which simple parameters of substitution position were taken as descriptors. The multiple linear regression was performed with GQSARF 2.0 and SSPS 12.0 for windows programs to obtain QSPR models of lgP_L, lgK_ and–lgS_ for PCDEs of which R~2 are 0.991, 0.983 and 0.965 and RMSEE are 0.311, 0.100 and 0.300 respectively.

采用密度泛函理论方法在B3LYP/6-31G*水平上对PCDEs、PBDEs和PCDDs的分子结构进行了全优化计算，以计算得到的量子化学参数作为理论描述符，采用GQSARF 2.0和SPSS 12.0 for windows统计程序进行正向逐步回归分析，建立了这些POPs的环境分配性质的QSPR模型：(1) PCDEs的过冷液体蒸汽压、正辛醇/水分配系数lgK_(ow和水溶解度-lgS_(w，l的QSPR模型，这3个QSPR模型的相关系数(R2)分别为0.988、0.958和0.959，估计的均方根误差分别为0.134、0.116和0.327；(2) PBDEs的lgPL和正辛醇/空气分配系数lgK_(oa的QSPR模型，这两个模型都包含三个分子结构参数，其R~2都为0.997，RSMEE分别为0.073和0.062；(3) PCDDs类化合物的lgK_和-lgS_w的QSPR模型，两个模型都只含一个变量，其R~2分别为0.978和0.866，RSMEE分别为0.300和0.270；(4)采用Hartree-Fock和DFT方法，在4种不同水平上优化计算了24个取代萘系列化合物的分子结构，采用上述同样的方法分别建立了四种水平上的三变量lgK_模型，通过比较得到，在HF/6-311G**水平计算得到的模型最好，R为0.966，RSMEE为0.380；(5)同时，采用氯原子取代位置方法对PCDEs的环境分配性质进行QSPR研究，建立了PCDEs的lgPL、lgK_和-lgS_的QSPR模型，其R~2分别为0.991、0.983和0.965，RSMEE分别为0.110、0.100和0.300。

Because of this property, water is preferentially adsorbed by these surfaces, and large organic compounds cannot compete with strongly held water for adsorption sites on the clay surfaces. Thus, Na-clays are ine_ective sorbents for small organic molecules. However, it is possible to modify the surface properties of clays greatly by neutralizing the anionic framework of layer silicates by using positively charged organic species such as alkylammonim ions. In the modi_ed form (HDTMA-bentonite), the clay surface may become organophilic and interact strongly with organic compounds. Textile dyes represent a relatively large group of organic chemicals. In an HDTMA-bentonite-dye system it is possible that adsorption may be enhanced by the hydrophobic interaction between the adsorbed dye molecule and HDTMA-bentonite.

O组给予亲水的性质到矿物表面，因为这水是吸附在这些表面，和大的有机化合物不能比有坚强的为了吸附位置在泥土表面，因而，Na—泥土是ine_ective吸附剂为了小的分子，希，它是可能的到更改的表面属性，泥土非常在抵销anionic层硅酸盐在用的结构 Positively负荷的物种例如alkylammonim离子，在mod i_ed形状，泥土表面可能变成organophilic和互相作用坚强地有机化合物，织物染料表现相关的大的组化学的，在HDTMA—斑脱土—染料系统它是可能的那吸附可能是提高在交互作用在中间吸附染料分子和HDTMA—斑脱土，interlamellarHDTMA的间隔—斑脱土是获得在substracting泥土层从的厚度实验上坚决的基础的间隔（d001）。

In the study of testing the overall ability of anti-oxidation, polyhydroxy substituted N-benzoylserotonin derivatives (compound 1-10) still have the better overall ability of anti-oxidation than control group, trolox. The IC50 values of compound 1-10 range 2.49 to 3.92, while the IC50 value of trolox is 5.23 μg/ml. Compound 10 is still the best derivative which has the best overall ability of anti-oxidation; IC50 value is 2.49 μg/ml.

而在总抗氧化能力结果显示，相较於对照组水溶性维生素E之IC50值5.23 μg/ml，多羟基取代之N-色洛冬宁苯甲醯胺衍生物（化合物1 ~ 10）之总抗氧化能力效果IC50值介於2.49 ~ 3.92 μg/ml之间，十种醯胺化合物的总抗氧化效果皆比对照组水溶性维生素E的抗氧化效果还要来得优越，其中效果最强的仍为化合物10，其 IC50值为 2.49 μg/ml。

Synthesizing new compounds are always the goal of chemist. Recent ly, the progress of the hydrothermal synthesis method is giving a new method to synthesize new compounds. The hydrothermal synthesis method is prefectly applied to synthesizing the tunnling materials, micro-and meso-porous mat erials as well as some new materials, so this method obtained the intrest of che mist.

中文题名含有杂原子的金属－氧簇(V，Mo，W，P，As)的合成与结构副题名外文题名论文作者李亚丰导师裘式纶教授学科专业无机化学研究领域\研究方向学位级别博士学位授予单位吉林大学学位授予日期2002 论文页码总数70，68页关键词金属－氧簇化学多酸化学无机合成化学馆藏号BSLW /2003 /O611 /3 合成新结构和新组成的化合物一直是化学家们的目标，近代水热合成技术的发展为合成亲新化合物提供了一种新的方法，水热由于在合成具有孔道结构、微介孔材料以及一其它一些新型材料具有其它方法无可比拟的优越性，因此，越来越受到人们的重视。

In order to find screening rules suitable for lead compounds of pesticide,five descriptors:logarithm of partition coefficient of octanol/water,relative molar weight,number of hydrogen-bond donors,number of hydrogen-bond acceptors,polar surface areaand carcinogenic and mutagenic toxicities of 242 fungicides,512 herbicides and 399 insecticides were calculated and analyzed.

1996年，Lipinski通过对2000多种口服药物进行分析，提出了用于药物分子筛选的&5规则&，即化合物疏水常数(CLogP≤5或MLogP≤4.5)，相对分子质量不大于500，氢键给体数不大于5和氢键受体数不大于10[1]。2003年，Andrew等报道了从高通量筛选结果中获取先导化合物的规则：化合物疏水常数≤3，相对分子质量小于450[2]。

Melting point 3410 ℃, boiling point 560 ℃, relative density of 1935, F the external electronic structure of 5d46s2, in the chemical reaction time is very easy to lose 1-6 electronic, but also can get 1-2 electronic, so oxidation number of 0,± 1,± 2, 3, 4 , 5 and 6, with 6 price of the most stable compounds, such as WO3 does not dissolve in water, the air will form in the tungsten trioxide thin protective layer of tungsten, tungsten with fluorine at room temperature, chemical combination, red hot when there is no moisture and Bromine iodide together, red hot when you can and water reaction WO3, at room temperature reaction of tungsten with aqua regia, but the hot concentrated hydrochloric acid and sulfuric acid can only be played with its weak response, but molten nitrate, nitrite, too Hydrogen peroxide, sulfur steam, steam and other phosphorus can play intense reaction, high temperature can not be carbon, boron and silicon reaction of binary compounds, widely used in industrial tungsten steel and tungsten carbide, pure tungsten filament is used to the system, and X-ray tube Tube heating components, semiconductor components can be prepared tungsten silicide, tungsten industrial production is white or black tungsten ore tungsten ore refining.

熔点3410℃，沸点560℃，相对密度1935，F外围电子结构为5d46s2，在化学反应时很容易丢掉1—6个电子，也能得到1—2个电子，所以氧化数为0、±1、±2、＋3、＋4、＋5和＋6，以＋6价化合物最稳定，如WO3不溶于水，空气中的钨会形成薄层三氧化钨保护层，钨能与氟在室温下化合，红热并无潮气时能与溴、碘化合，红热时还能和水反应生成WO3，室温下钨可与王水反应，但热的浓盐酸和硫酸只能与其起微弱反应，但对熔融的硝酸盐、亚硝酸盐、过氧化氢、硫蒸汽、磷蒸汽等能起激烈反应，高温下不能与碳、硼和硅反应生成二元化合物，工业上广泛使用钨钢和碳化钨，纯钨用来制灯丝、电子管和X射线管的发热元件，硅化钨可制半导体元件，钨工业生产是将白钨矿石或黑钨矿石精炼。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。