水合氢

Methods 4-Hydroxy- benzonitrile was treated with sodium hydrogen sulfide and anhydrous magnesium chloride in dimethyl formamide to give thioamide, which was then directly cyclized with ethyl 2-chloroacetoacetate without separation to give ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate(2) in one-pot; then 2 was formylated with Duff reaction adopting hexamethylenetetramine in trifluoroacetic acid to give ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate(3); finally, the target compound was obtained by the treatment of 3 with hydroxylamine hydrochloride and sodium formate in formic acid.

采用"一勺烩"方法，以4-羟基苯甲腈为起始原料，首先与硫氢化钠和无水氯化镁在N，N-二甲基甲酰胺中反应，所得中间体不经分离，直接加入2-氯乙酰乙酸乙酯进行环合反应，得到2-(4-羟基)苯基-4-甲基-5-噻唑甲酸乙酯（2）；然后通过六亚甲基四胺/三氟乙酸进行Duff反应，得到2-(3-甲酰基-4-羟基)苯基-4-甲基-5-噻唑甲酸乙酯（3）；再经盐酸羟胺/甲酸/甲酸钠体系脱水得到目标化合物。

Among the 10 descriptors, the coplanarity of three phenyl substituents with the imidazole ring, the hydrogen-bond acceptance, the molecular weight and logP are the most important factors for the modulation efficacy.

借助半经验分子轨道法AM1和从头计算法RHF/6-31G计算得到分子的多种描述因子，采用多元线性回归方法进行了结构药效分析，基于分子的结构参数、接受氢键的能力、脂水分配系数等对药物分子半有效剂量的影响提出一套拟合效果比较理想的构效关系方程，其复相关系数和标准偏差分别为0.897和0.323。

In order to know more about the microcosmic structure of the important biochemical model molecule formamide in aqueous solution, the Optimized Potentials for Liquid Simulations-All Atom model were used in the molecular dynamics simulation for the aqueous solution of FM in the whole concentration range. The radial distribution functions of the solutions were obtained. The interaction between water molecule and FM molecule was analyzed and calculated.

为了解重要的生化模型甲酰胺在水溶液中的微观结构，采用全原子力场在全浓度范围内对甲酰胺溶液进行了分子动力学模拟，得到了溶液的径向分布函数，分析计算了溶质和溶剂分子间的相互作用，对甲酰胺和水分子的氢键缔合情况进行了分析。

For larger systems such as the hydrogen bonded complex between water and hydrogen fluoride, the additional question arises as to where to position the ghost orbitals.

对于较大体系如水和氟化氢形成的氢键络合物，会产生其他问题，如ghost轨道的位置在何处。

E.g. Water is composed of hydrogen and oxygen.

水是由氢与氧化合而成的。

Synthesis of linoleic acid hydroperoxide with linoleic acid catalyzed by soybean lipoxygenase in aqueous phase was studied.

研究了水相体系中大豆脂肪氧合酶酶促合成亚油酸氢过氧化物的反应，最佳反应条件为底物质量浓度4 11g/L，pH=9，5℃，反应时间120min，亚油酸氢过氧化物产率80%。

This result indicates that MF treatment promotes the formation of water clusters, which can be attributed to an increase in hydrogen bonding.

结果表明MF处理促进了水分子缔合结构的形成，这一点可能与氢键的形成有关。

As the RE ions concentration in groundwater increases or the surface sites on Mn-Fe oxide become saturated, RE ions may sorb via surface precipitation, then surface precipitation become the dominant sorption mechanism.

当离子浓度低时，形成表面络合物是占统治地位的吸附机制；当氧化物/水体系中离子浓度大时，金属离子除在表面形成表面络合物外，也可能形成表面氢氧化物沉淀，直到氧化物表面吸附点位被全部占满，这时表面沉淀则变成主要的吸附机制。

CH3OH could attack the phosphor atom in 1,3,2-dioxaphopholane of compiound (1) to give O-methyl O-hydroxyethyl-O-phthalimidoethyl thiophosphate in 85% yield; in the presence of potassium hydroxide aryl selenol could attack the carbon atom in 1,3,2-diox-aphopholane of the cyclic phospholipid conjugate of N^1-(2-furanidyl)-N^3--5-fluorouracil to give the corresponding product of ring-opening in high yields.

在室温下，以异丙醇作溶剂，苯硒酚与化合物2不反应。在氢氧化钾存在下，以异丙醇／水作溶剂（体积比20：1，在室温下，硒酚可以有效地进攻中化合物2中1，3，2-二氧磷杂环戊烷中的碳原子生成相应的开环产物。按照这一反应条件，顺利实现了硒酚对N^1-（2-呋喃基）-N^3-羟烷基-5-氟脲嘧啶硫代环甘油磷脂缀合物的亲核开环，生成甘油骨架的端碳原子上带有芳硒基新颖的磷脂核苷缀合物。

Both crystallographically unique Zn atoms exit as an octahedral geometry. The four equatorial positions of Zn1 atom are occupied by the carboxylate-oxygen atoms of the two tartrates, and the two oxygens of the left four carboxylate-oxygen atoms coordinate to two different Zn2 atoms, respectively, forming infinite coordination polymer chains. The left two of the trans equatorial positions of Zn2 atom are completed with two oxygen atoms of two water molecules. The axial positions of both Zn atoms are occupied by the nitrogen atoms from different 4,4'-bipyridine molecules to give a 2D rectangular-grid layers with a cavity dimension of 0.51165(3)nm×1.13896(5) nm. A three dimensional network is formed by the crystallization water chains joined by the carboxylate-oxygen atoms through hydrogen-bonding interactions.

两个晶体学独立的Zn原子均为八面体构型，其中Zn1原子赤道配位点被2个酒石酸根中的4个羧酸根氧螯合配位， 2个酒石酸根中剩下的4个羧酸根氧中的2个分别与2个Zn2原子连接形成无限一维链， Zn2原子的另外2个反式赤道配位点被2个水分子氧占据，同时这两种Zn原子的轴向配位点均被4，4'-联吡啶的氮原子占据，形成具有矩形格子[0.51165(3) nm×1.13896(5) nm]的二维层状结构，游离的2个水分子通过氢键作用形成二聚体，并与酒石酸根中未与Zn配位的羧酸氧连接，把二维层状结构连接成三维网状的超分子结构。

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。