化合物

A catalyst composition for the polymerization of propylene comprising one or more Ziegler-Natta procatalyst compositions comprising one or more transition metal compounds and one or more esters of aromatic dicarboxylic acid internal electron donors; one or more aluminum containing cocatalysts; and a mixture of two or more different selectivity control agents, said SCA mixture comprising from 1 to 99 percent of one or more esters of one or more aromatic monocarboxylic acids or substituted derivatives thereof, and from 99 to 1 percent of one or more alkoxysilane compounds.

一种用于丙烯聚合的催化剂组合物，包括：一种或多种齐格勒-纳塔主催化剂组合物，该齐格勒-纳塔主催化剂组合物包括一种或多种过渡金属化合物和一种或多种芳族二羧酸酯内部电子给体；一种或多种包含铝的辅催化剂；和两种或更多种不同的选择性控制剂的混合物，所述SCA混合物包括1到99％的一种或多种芳族单羧酸的一种或多种酯或其取代衍生物、和99到1％的一种或多种烷氧基硅烷化合物。

And 64 of trace VOCs, including 17 USEPA priority controlled pollutants, were detected in the spring and summer samples respectively. Benzene and other monocyclic hydrocarbons had the highest concentrations ranging from 4.25 to 202.35?

结果表明，在春、夏季样品中可分别检测出 47和 64种化合物，其中有些化合物为USEPA优先控制毒害有机污染物；夏季样品中微量挥发性有机污染物的浓度大多比春季样品高，有的甚至高 1个数量级以上。

Provided herein is a compound having the formula I R2 is typically a tertiary nitrogen atom, being either alkyl-substituted or member of q heterocyclic ring R7 is typically a monocyclic or bicyclic aromatic ring or a heterocyclic ring wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders.

本发明提供具有式的化合物(R 2 通常为叔氮原子，其或者为烷基取代或为杂环的成员；R 7 通常为单环或双环芳环或杂环)，其中所述化合物用于治疗精神病学的疾病，其包括抑郁症、泛化性焦虑症、饮食障碍、痴呆症、恐慌病和睡眠障碍。

The present invention provides a multinuclear half metallocene compound in which two or more of transition metals of groups 3 to 10 on periodic table are connected through bridge ligand simultaneously containing Pi-ligand cycloalkandienyl group and Alpha-ligand functional group and its preparation, and a process for preparing styrene polymer using the compound as a catalyst.

本发明提供了一种其中的两个或更多元素周期表第3-10族过渡金属通过同时包含π-配体环烷基二烯基团和α-配体功能基团的桥配体连接的多核半金属茂络合化合物及其制备方法，及使用本化合物为催化剂的苯乙烯聚合体的制备工艺。

The macrocyclic polyamines are a kind of excellent ligands and have a substantially high binding affinity with transition metal ions. Macrocyclic polyamine metal complexes as enzyme models are widely used in chemical biology, medicine and gene therapy. 1, 4, 7, 10-tetrazacyclododecane is a representative macrocyclic polyamines compound and shows high binding affinity with transition metal ions, such as Zn, Cu and Co. Their metal complexes especially multinuclear complexes were widely used in DNA, RNA recognition.

大环多胺化合物是一类性质独特的优秀配体，具有良好的金属配位能力，其金属配合物作为人工酶模型广泛应用于核酸结构及功能研究、基因表达与调控、抗癌药物的研制等生物、化学和医学领域。1，4，7，10-四氮杂十二烷是典型的大环多胺化合物，对过渡金属离子Zn， Cu and Co有良好的配位能力，这些金属配合物特别是多核金属配合物被广泛应用于DNA识别中。

Based on the results of 1H-NMR, 13C-NMR, ESI-MS and UV spectra, the structures of three compounds with antitumor activity were identified as Prodigiosin、7-Hexadecenoic acid、7,10-Octadecadienoic acid, respectively; another compounds (no activity to above tumor cells)was identified as Myristic acid.

运用核磁共振（1H-NMR、13C-NMR）、质谱、紫外光谱等现代波谱技术分析，将其中3种具有抗肿瘤活性的化合物分别鉴定为灵菌红素、7-十六碳烯酸（7-Hexadecenoic acid）、7，10-十八碳二烯酸（7，10-Octadecadienoic acid）；鉴定另一种对上述肿瘤细胞无活性的化合物为肉豆蔻酸。

Long-chain branched polyethylene was obtained using a homogeneous bianary catalyst system composed of late and early transition metal complexes,namely a mixture of bis(α-naphthalidine)-2,3-butanediimine NiBr2 and Cp* TiCl3,as catalyst precursors in the presence of MAO.

合成了一种后过渡金属镍化合物 [二- N ，N′--2 ，3-丁二亚胺镍二溴化物 ][C10H7—NC(CH3)C(CH3)N—C10H7]NiBr2，此化合物在MAO活化下催化乙烯聚合能得到含有末端双键的低分子量聚乙烯，即长链α-烯烃。

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。

A number of monoaza-15-crown-5 ether derivatives linking naphthyl or anthrylchromophores have been designed and synthesized, and their photophysical propertiesand self-assembly behavior in different media have been investigated.

本文设计合成了几个含有萘和蒽发色团的单氮杂15-冠-5化合物和用柔性链连接的双单氮杂15-冠-5化合物，研究了它们的光物理性质和自组装行为以及在溶液和气／液界面上的离子识别能力。

In the same time, the intra-molecular photoinduced electron transfer process between naphthyl group and nitrogen atom of tertiary amine group at the tip of molecule was found and this process strongly depends on the acidity of solution.

通过对该类化合物在溶液中的光物理行为以及酸度影响的比较研究，观察到以叔胺为骨架的三足化合物存在分子内光诱导电子转移，且这一过程强烈地依赖于介质的pH值；叔胺基的氮原子质子化将会减弱这一PET过程。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。