液相组合合成的纯化方法

综述了近8年来液相平行合成和组合合成中应用的不同技术, 包括可溶性载体、氟合成技术、离子液体、固相试剂树脂以及低聚乙烯二醇(OEG)衍生物的应用等几方面内容. 论述了它们的基本原理以及相关的应用实例, 并着重强调了目标化合物的分离纯化方法.     

手性催化的环氧化物立体选择性开环反应

手性催化的环氧化物立体选择性开环反应可以用来制备多种具光学活性的化合物, 因而成为有机合成中极为重要的方法之一. 多种亲核试剂都已成功应用于此类反应. 综述了近十年来环氧化物的立体选择性开环反应方面的一些最新研究进展.     

Palindromic quadratization and structure-preserving algorithm for palindromic matrix polynomials of even degree

In this paper, we propose a palindromic quadratization approach, transforming a palindromic matrix polynomial of even degree to a palindromic quadratic pencil. Based on the (S+ S^-1){(\mathcal{S}+ \mathcal{S}^{-1})} -transform and Patel’s algorithm, the structure-preserving algorithm can then be applied to solve the corresponding palindromic quadratic eigenvalue problem. Numerical experiments show that the relative residuals for eigenpairs of palindromic polynomial eigenvalue problems computed by palindromic quadratized eigenvalue problems are better than those via palindromic linearized eigenvalue problems or polyeig{{\texttt {polyeig}}} in MATLAB.     

Optimization of taxane binding to microtubules: binding affinity dissection and incremental construction of a high-affinity analog of paclitaxel

The microtubule binding affinities of a series of synthetic taxanes have been measured with the aims of dissecting individual group contributions and obtaining a rationale for the design of novel compounds with the ability to overcome drug resistance. As previously observed for epothilones, the positive and negative contributions of the different substituents to the binding free energies are cumulative. By combining the most favorable substitutions we increased the binding affinity of paclitaxel 500-fold. Insight into the structural basis for this improvement was gained with molecular modeling and NMR data obtained for microtubule-bound docetaxel. Taxanes with affinities for microtubules well above their affinities for P-glycoprotein are shown not to be affected by multidrug resistance. This finding strongly indicates that optimization of the ligand-target interaction is a good strategy to overcome multidrug resistance mediated by efflux pumps.     

Design,synthesis and metabolic regulation effect of farnesoid X receptor (FXR) antagonistic benzoxepin-5-ones

A series of benzoxepin-5-ones were designed and synthesized by the cyclization of chalcones which were previously found as FXR antagonists. The cellular FXR antagonism of benzoxepines was investigated, among which the most potent compound 10l was able to reduce the plasma and hepatic triglyceride and plasma ALT levels in mice.     

Reinvestigation to the C-7 Epimerization of Paclitaxel and Related Taxoids Under Basic Conditions

Base-promoted C-7 epimerizations of paclitaxel, 10-deacetylbaccatin III were investigated. It has been found that 13α-OH may play an important role in the equilibrium of C-7 epimers of paclitaxel and related taxoids.     

Two novel tetrairidoid glucosides from Dipsacus asper

[reaction: see text] Two new iridoid glucoside tetramers, dipsanosides A (1) and B (2), the first-reported iridoid tetramers with four glucosides, were isolated from Dipsacus asper. Their structures were determined by analysis of 1D and 2D NMR data as well as by comparison with model compounds. Their cytotoxicities were tested, but neither of them showed obvious activity.     

熊果酸半乳糖苷偶联物的合成及保肝活性

通过改进的Koenigs-knorr法在熊果酸3位和28位进行半乳糖苷化得到6个化合物. 通过MTT法考察了上述化合物对大鼠肝干细胞样上皮细胞WB-F344 的作用, 发现化合物12b和12e可明显提高WB-F344细胞的成活率. 体内实验结果表明, 化合物12b, 12d和12f在刀豆蛋白引起的小鼠急性免疫性肝损伤模型上, 除化合物12d对小鼠血清谷草转氨酶升高具有一定程度的降低作用外, 其余化合物均未见对谷草和谷丙转氨酶的升高表现出明显的保护作用.     

聚乙烯在碳受限空间中的结晶

认识聚合物在受限空间内的结晶行为和特点对于开发高储热性能复合相变材料有着重要意义.本文对聚乙烯在限域空间下的结晶行为进行了分子动力学模拟,并与自由空间下的聚乙烯结晶进行了对比.针对单层石墨烯片构成的一维限制、无定形碳圆形孔道构成的二维限制,分别计算了聚乙烯的径向分布函数、势能、回转半径及其与壁面的相互作用能.结果 表明...