作者：Yuanyuan Han, Jing Jin, Jie Cui, Wei Jiang
关键字：蛋白质吸附, 端接枝聚合物, Monte Carlo模拟, 亲水性, HP模型
论文来源：期刊
具体来源：Colloids and Surfaces B: Biointerfaces, 2016, 142, 38-45
发表时间：2016年

摘要：采用Monte Carlo模拟研究了端接枝聚合物上的蛋白质吸附行为，详细考察了端接枝聚合物亲水性对蛋白质吸附行为的影响。模拟结果表明，端接枝聚合物的亲水性可同时影响蛋白质吸附量和吸附速度：随着亲水性增加，蛋白质吸附量和吸附速度首先显著降低，但亲水性进一步增加反而使吸附量和吸附速度增大，这一现象在接枝密度较低、链长较长的端接枝聚合物体系中更容易观察到。对端接枝聚合物链构象的研究表明，中等亲水性的端接枝聚合物在平行和垂直于基底方向的尺寸差异相对较小，且具有较宽的高度分布，这种特性有利于覆盖疏水基底上方的空间，从而有效抵抗蛋白质吸附。

Abstract：Monte Carlo simulation is employed to investigate protein adsorption behavior on end-grafted polymers. The effect of hydrophilicity of end-grafted polymers on protein adsorption behavior is investigated in detail. The simulation results indicate that the hydrophilicity of the end-grafted polymers can affect both the amount and speed of protein adsorption. An increase in the hydrophilicity of the end-grafted polymers can significantly decrease the amount and speed of protein adsorption first. However, a further increase in the hydrophilicity of the end-grafted polymers results in the increase in the amount and speed of protein adsorption. This phenomenon is easier to be observed in the end-grafted polymer systems with lower grafting density and longer chain length. In addition, the investigation of the chain conformation of the end-grafted polymers reveals that the end-grafted polymers with mediate hydrophilicity have relatively small size difference along the parallel and perpendicular directions to the substrate, and these end-grafted polymers have relatively wide height distribution. Such characteristics favor covering the space above the hydrophobic substrate and thus can effectively resist protein adsorption.

论文链接：https://doi.org/10.1016/j.colsurfb.2016.01.064