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| 1 | 基于分子对接的咪唑啉类α_(2A)-肾上腺素能配体三维定量构效关系研究显示文摘对系列咪唑啉类α2A-肾上腺素能配体类似物进行MFA和CoMFA两种方法的定量构效关系研究。化合物的构象采用与α2A-肾上腺素能受体分子对接的最佳结合构象,计算结果表明,两种方法的计算结果有较好的一致性。MFA模型的r2和xv_r2分别为0.997和0.946,CoMFA模型的r2和xv_r2分别为0.999和0.580,两种方法得到的定量构效关系模型均有较好的拟合能力和预测能力,可用于对咪唑啉类α2A-肾上腺素能配体化合物进行虚拟筛选和活性评价。研究结果为进一步设计合成新的候选化合物提供理论依据。 | 刘明 李博 刘宇邈 杨生玉 胡文祥 | 2010 | 化学通报2010，73，11： | 4 |
| 2 | Responsive polymer-based multicolor fluorescent probes for temperature and Zn^(2+) ions in aqueous media显示文摘We report on the fabrication of fluorescent and multicolor probes for Zn2+ ions and temperature from a mixture of three types of fluorophore-labeled responsive block copolymers in aqueous media. Quinoline-based Zn2+-recognizing fluorescent monomer ZQMA, red-emitting rhodamine B-based monomer RhBEA, and blue-emitting coumarin derivative Coum-OH, were synthesized first. A ZQMA-labeled well-defined double hydrophilic block copolymer(DHBC), PEG-b-P(MEO2MA-co-ZQMA), was synthesized via reversible addition-fragmentation chain-transfer(RAFT) polymerization of 2-(2-methoxyethoxy)ethyl methacrylate(MEO2MA) and ZQMA by utilizing a PEG-based macroRAFT agent. Following similar procedures, PEG-b-P(St-co-RhBEA) amphiphilic diblock copolymer and PEG-b-P(MEO2MA-co-Coum) DHBC were also synthesized, where P(St-co-RhBEA) was a RhBEA-labeled polystyrene(PS) block. At room temperature in aqueous solution, almost nonfluorescent PEG-b-P(MEO2MA-co-ZQMA) can effectively bind Zn2+ ions, leading to prominent green fluorescence enhancement due to the coordination of ZQMA with Zn2+ ions. However, by mixing red-emitting PEG-b-P(St-co-RhBEA) and blue-emitting PEG-b-P(MEO2MA-co-Coum) with PEG-b-P(MEO2MA-co-ZQMA) at an appropriate ratio, three color transitions could be observed. In the absence of Zn2+ ions, a mixed pink fluorescent originating from Coum and RhBEA was observed; upon the addition of a certain amount of Zn2+ ions, the green fluorescence enhanced dramatically, leading to a white fluorescence readout. By further increasing the amount of Zn2+ ions, the green fluorescence further enhanced and overwhelmed the blue and red emissions, leading to a green-dominant mixed-fluorescence emission. In addition, upon increasing the temperature, the fluorescence of Coum decreased considerably due to the fluorescence-resonance energy transfer(FRET) between Coum and ZQMA moieties. In this way, a ratiometric fluorescent thermometer can be constructed. | HU XiangLong LI Yang LIU Tao ZHANG GuoYing LIU ShiYong | 2014 | Science China Chemistry2014，57，4： | 1 |
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