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Superselective Adsorption of Multivalent Polymer Chains to a Surface with Receptors
Hao-zhi Huang,Yu-hao Chen,Wan-cheng Yu,Kai-fu Luo
Author NameAffiliationE-mail
Hao-zhi Huang CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China  
Yu-hao Chen CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China  
Wan-cheng Yu CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China ywcheng@ustc.edu.cn 
Kai-fu Luo CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China  
Abstract:
Multivalent polymer chains exhibit excellent prospect in biomedical applications by serving as therapeutic agents. Using three-dimensional (3D) Langevin dynamics simulations, we investigate adsorption behaviors of multivalent polymer chains to a surface with receptors. Multivalent polymer chains display superselective adsorption. Furthermore, the range of density of surface receptors at which a multivalent polymer chain displays a superselective behavior, narrows down for chains with higher density of ligands. Meanwhile, the optimal density of surface receptors where the highest superselectivity is achieved, decreases with increasing the density of ligands. Then, the conformational properties of bound multivalent chains are studied systematically. Interestingly, we find that the equilibrium radius of gyration Rg and its horizontal component have a maximum as a function of the density of surface receptors. The scaling exponents of Rg with the length of chain suggest that with increasing the density of surface receptors., the conformations of a bound multivalent polymer chain first fall in between those of a two-dimensional (2D) and a 3D chain, while it is slightly collapsed subsequently.
Key words:  Multivalent polymers  Langevin dynamics simulations  Superselective adsorption
FundProject:
多价态高分子链在受体平面上的超选择性吸附
黄浩智,陈宇浩,昱万程,罗开富
摘要:
利用三维朗之万动力学模拟研究了多价态高分子链在受体平面上的吸附行为。其在受体平面上的吸附具有超选择性,随着高分子链上配体浓度的增大,发生超选择性吸附时的平面受体浓度范围变窄;而超选择性吸附最显著时的平面受体浓度,即最佳平面受体浓度随着链上配体浓度的增大而减小。对处于吸附态的多价态高分子链的构象性质进行了系统地研究,发现链的平衡回转半径Rg及其水平分量Rg},随着平面受体浓度的增大都存在极大值。其平衡回转半径Rg与其链长N间的标度指数表明当平面受体浓度的增大时,处于吸附态的链构象介于二维链构象和三维链构象之间;随着平面受体浓度的进一步增大,吸附在平面上的多价态高分子链发生轻微的塌缩
关键词:  多价态高分子链  朗之万动力学模拟  超选择性吸附
DOI:10.1063/1674-0068/29/cjcp1603060
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