Design and synthesis of 5-cyclopropyl substituted cyclic acylguanidine compounds as BACE1 inhibitors

By taking compound 1 as a lead, a series of 5-cyclopropyl substituted cyclic acylguanidine compounds were designed and synthesized as BACE1 inhibitors, compound 4d exhibited 84-fold improved inhibition efficiency than lead compound 1. The diphenyl fragment at the P3 position and the substituents at the second phenyl ring were essential for the compounds to achieve improved inhibition efficiency. This SAR studies provides new insights into the design and synthesis of more promising BACE1 inhibitors for the potential treatment of AD.     

无胺合成[Fe]ZSM-5分子筛的结构鉴定及其催化性能的研究

不用有机胺为模板剂,在碱性介质中采用水热合成法成功地合成了[Fe]ZSM-5分子筛.用X射线衍射、透射电镜、红外光谱、顺磁共振谱、X射线光电子能谱和穆斯堡尔谱等对其结构进行了表征,结果表明,Fe原子进入了分子筛骨架,并处于四面体的配位环境.在由甲醇转化为汽油的过程中,以本文合成的[Fe]ZSM-5与用有机胺为模板剂合成的[Fe]ZSM-5分子筛为催化剂相比,其活性和选择性几乎相同,且都比通常的H[Al]ZSM-5好,C₅组分以上的选择性大于80%,且芳烃(包括脂环烃)和异构烃的含量达75%以上.     

含72元环的二维网状结构超分子配合物的合成与结构

用自组装方法合成具有特殊网状结构及光学、电学、磁学、离子或分子交换、催化等性能的化合物的分子工程学和超分子化学近年来成为人们研究的热点,并已取得了很大进展［１,２］．当前常用的一种三角架结构单元是刚性芳基三角架配体［３～５］,而对柔性芳基三角架配体及...     

亚相金属离子与两亲配体LB膜相互作用的研究

The complex formation of 2-hexadecylcarbamoyl-8-hydroxyquinoline(HHQ) monolayers at the air/water interface by reaction with metal ions from the subphase was investigated using X-ray photoelectron spectroscopy. The formation of HHQ-metal complexes leads to the appearance of new peaks assigned to the metal ions. The information on stoichimoetry provided by XPS indicated that a metal ion is coordinated by two HHQ molecules for La3+ and Cd2+ ions, but by one HHQ molecule for Mn2+ and Ni2+ ions.     

垃圾焚烧底灰中铬的分布及浸出特性研究

以流化床和炉排炉两种垃圾焚烧电厂产生的底灰为对象,研究了底灰中总铬及六价铬的分布特性及六价铬分布与Ca、Si、Al等矿物元素之间的关系,并探索了六价铬的浸出特性。得到结论如下:随着底灰粒径的增大,底灰中总铬及六价铬含量降低;Si和Al的存在的情况下,CaO会与Si和Al发生反应,直接影响Cr(Ⅵ)的生成;采用炉排炉焚烧工艺得到的底灰比采用流化床工艺得到的底灰中六价铬浸出浓度高;底灰中存在的还原性物质,尤其是流化床底灰,促使浸出过程中六价铬的还原,降低浸出溶液中六价铬的含量。     

Porous Pt-Ni-P composite nanotube arrays: highly electroactive and durable catalysts for methanol electrooxidation

Porous Pt-Ni-P composite nanotube arrays (NTAs) on a conductive substrate in good solid contact are successfully synthesized via template-assisted electrodeposition and show high electrochemical activity and long-term stability for methanol electrooxidation. Hollow nanotubular structures, porous nanostructures, and synergistic electronic effects of various elements contribute to the high electrocatalytic performance of porous Pt-Ni-P composite NTA electrocatalysts.     

Ar adsorptions on Al （111） and Ir （111） surfaces： a first-principles study

We investigate the adsorptions of Ar on Al (111) and Ir (111) surfaces at the four high symmetry sites,i.e.,top,bridge,fcc-and hcp-hollow sites at the coverage of 0.25 monolayer (ML) using the density functional theory within the generalized gradient approximation of Perdew,Burke and Ernzerhof functions.The geometric structures,the binding energies,the electronic properties of argon atoms adsorbed on Al (111) and Ir (111) surfaces,the difference in electron density between on the Al (111) surface and on the Ir (111) surface and the total density of states are calculated.Our studies indicate that the most stable adsorption site of Ar on the Al (111) surface is found to be the fcc-hollow site for the (2 × 2) structure.The corresponding binding energy of an argon atom at this site is 0.538 eV/Ar atom at a coverage of 0.25 ML.For the Ar adsorption on Ir (111) surface at the same coverage,the most favourable site is the hcp-hollow site,with a corresponding binding energy of 0.493 eV.The total density of states (TDOS) is analysed for Ar adsorption on Al (111) surface and it is concluded that the adsorption behaviour is dominated by the interaction between 3s,3p orbits of Ar atom and the 3p orbit of the base Al metal and the formation of sp hybrid orbital.For Ar adsorption on Ir (111) surface,the conclusion is that the main interaction in the process of Ar adsorption on Ir (111) surface comes from the 3s and 3p orbits of argon atom and 5d orbit of Ir atom.     

含1, 6-二(4'-吡啶基)-2, 5-二氮杂己烷的一维链状和二维网状 银(I)超分子配 合物的合成与结构

本文报道了一种新型四齿配体L：1,6-二(4'-吡啶基)-2,5-二氮杂己烷的合成,及其与银(I)的超分子配合物的一维链状和二维网状的结构。     

细胞色素b5突变体(E44A/E48A/E56A/D60A)的溶液结构研究

电子传递反应是光合作用和生物氧化等一系列重要生物过程的基本反应[1],为阐明细胞色素b5和c的静电结合模型,1993年Northrup等[3]用Brownian动态模拟预言的这两个蛋白结合模型有两种几何形态,根据以下模型设计了许多实验,但对两种模型都至关重要的细胞色素b5血红素暴霞棱周围的4个残基E44,48,56T D60对蛋白质复合物的稳定性以及在蛋白质识别中的作用仍然不清楚,为了阐明这4个带负电的残基对细胞色素b5结构的影响,正确地揭示蛋白质相互作用的本质和机理,本文对牛肝微粒体细胞色素b5胰蛋白酶切割后水溶性部分的突变体(E44A/E48A/E56A/D60A)深液结构进行了研究.     

柠檬酸钠对氢氧化镁铝微粒乳化作用的影响

氢氧化镁铝;微粒乳化作用;液体石蜡;柠檬酸钠