水化合物

In the present study, Hartree-Fock and Density Functional Theory with different basis sets were employed to calculate the structural and thermodynamic parameters of 66 thiophenyl, phenyl sulfoxide and phenylsulfonyl cycloalkane carboxylates. With the statistic software SPSS11.5 for windows and GQSARF2.0, the QSAR models relating physicochemical properties of these compounds to their structural and thermodynamic parameters were successfully obtained, using multiple stepwise regression method. The physicochemical properties observed in this work include octanol/water partition coefficient, chromatographic capacity index, toxicity (EC50 and LC50), and solubility etc.

本文采用从头算方法中的Hartree-Fock 方法、密度泛函理论方法(Density functional theory，简称DFT)中的不同基组，计算了苯硫基、苯亚砜基和苯砜基含硫芳香羧酸酯三类共66 个化合物的结构参数和热力学参数，利用SPSS11.5 for windows 统计软件和GQSARF2.0 软件，采用多元逐步回归法拟合得到与溶质-溶剂相互作用有关的物理化学性质与结构参数和热力学参数之间的QSAR 方程，这些物理化学性质包括辛醇/水分配系数、色谱容量因子、毒性(EC50和LC50)、溶解度等。

The results show that:Changing the substituents of the phenyl rings,on the one hand,will influence the capacity of conjugation of the phenyl rings through S→N dative bond and furthermore influence the weak acid-dissociation of phenolic hydroxyl,on the other hand,will influence the geometric conformation of the compound and furthermore influence to form structure matched with membrane and water/membrane.

结果表明：改变药物化合物两边苯环上的取代基，一方面，将影响苯环通过S←N授受键的共轭能力，进一步影响酚羟基的弱酸离解常数；另一方面，将影响C-S，S-N键自由旋转的难易程度，进一步影响到能否形成与膜/水膜界面相匹配的结构。

In this paper, Claisen condensation of isochroman ?4?one as starting material with diethyl oxalate is carried out to form β?diketone compound of isochroman ?4?one.

以异色满酮 4为起始原料，经Claisen缩合得其β二酮衍生物，再与水合肼进行Knorr反应环合成 3 乙氧甲酰基和 3 肼甲酰基异色满并吡唑衍生物，通过酰肼与糠醛反应成腙后，分别与巯基乙酸和氯乙酰氯反应合成了标题化合物

In this thesis, a series of porphyrin derivatives were synthesized, for example, six porphyrin amphiphiles, one water-soluble porphyrin and one dyad of phenothiazine and porphyrin.

在本文中，我们合成了一系列的卟啉衍生物，包括六种两亲性卟啉、一种水溶性卟啉和一种卟啉—吩噻嗪二元化合物。

After four weeks of foxtail millet feeding, the low dosage group (10%) was significantly decreased UI and increased level of gastric NPSH and disaccharidase activities compared to the negative control group.

研究结果显示餵食小米四周后，低剂量小米组(10 %)与负控制组相比显著减少水浸润拘束紧迫法所造成的溃疡指数、增加胃黏膜非蛋白质硫基化合物的含量并提高双醣酶活性。

The final drink contains water, ethanol , fusel oils , and flavoring compounds.

最后酒后载水，乙醇，杂醇油，调味品和化合物。

Polyphenol compounds were extracted from the sorghum groats by water and methanol. Total phenolic content, reducing power, chelating activity, DPPH radical scavenging activity, ABTS radical cation scavenging activity and inhibition of hydroxyl radical-mediated 2-deoxy-D-ribose degradation of the extracts from the sorghum groats were determined.

以水和甲醇为溶剂提取高粱籽粒中的多酚类化合物，测定了提取物中的总酚含量、还原力、Fe~(2+)络合能力以及提取物对DPPH、ABTS、羟基自由基的清除能力。

According to the theoretic significance and the applications of the complexes, this paper mainly concluded the following work: The ligand, 2-carboxybenzaldehyde-2,4-dinitrophen hydrazone, was synthesized by 2-carboxybenzaldehyde and 2,4-dinitrophenyl hydrazine in absolute alcohol.

中文摘要本文基于芳香腙类化合物的抑菌活性、稀土元素的生物活性以及二者配位后可能的协同效应，主要进行了以下几个方面的工作：在无水乙醇中，利用2-羧基苯甲醛和2，4-二硝基苯肼缩合反应得到了配体2-羧基苯甲醛-2，4-二硝基苯腙(C14H10N4O6)。

Neutron Scattering is an ideal technique for studying hydrogenous compounds, thus during the last 20 years it has become very useful for the study of water.

中子散射是研究含氢化合物的理想实验手段，因此，在过去的20年中，中子散射也成为研究水的有利工具。

The physical and chemical properties of the as-prepared chalcogenides and the reaction mechanisms of hydrothermal process are also studied.

同时，对所合成的硫属化合物的物理及化学性质作了研究，并探讨了水热合成过程的反应机理等。

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。