title: Effect of hydrophilicity of end-grafted polymers on protein adsorption behavior: A Monte Carlo study.
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.
authors.affiliation: State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, PR China.
authors.forename: Yuanyuan
authors.initials: Y
authors.lastname: Han
authors.affiliation: State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, PR China.
authors.forename: Jing
authors.initials: J
authors.lastname: Jin
authors.affiliation: State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, PR China. Electronic address: jcui@ciac.ac.cn.
authors.forename: Jie
authors.initials: J
authors.lastname: Cui
authors.affiliation: State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, PR China. Electronic address: wjiang@ciac.ac.cn.
authors.forename: Wei
authors.initials: W
authors.lastname: Jiang
mesh_terms: D000327:Adsorption; D003198:Computer Simulation; D057927:Hydrophobic and Hydrophilic Interactions; D008956:Models, Chemical; D008968:Molecular Conformation; D009010:Monte Carlo Method; D011092:Polyethylene Glycols / Q000737:chemistry*; D012710:Serum Albumin, Bovine / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D012710:Serum Albumin, Bovine; D011092:Polyethylene Glycols
keywords: End-grafted polymer; HP model; Monte Carlo simulation; Protein adsorption