Revealing the importance of surface morphology of nanomaterials to biological responses: Adsorption of the villin headpiece onto graphene and phosphorene
Revealing the importance of surface morphology of nanomaterials to biological responses: Adsorption of the villin headpiece onto graphene and phosphorene
复制标题
揭示纳米材料表面形态对生物反应的重要性：绒毛头饰在石墨烯和磷烯上的吸附
DOI：
10.1016/j.carbon.2015.07.075
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发表时间：
2015-11-01
期刊：
影响因子：
10.9
通讯作者：
Zhou, Ruhong
中科院分区：
文献类型：
--
作者：
Zhang, Wei;Tien Huynh;Zhou, Ruhong
磷烯是一种具有褶皱表面形态的新型二维材料，被认为是一种潜在的更好的石墨烯替代品，在未来的应用中。因此，评价和比较磷烯和石墨烯的生物响应是很重要的。本文采用大规模分子动力学模拟方法，以Villin头饰(HP35)为模型蛋白质，研究了磷烯和石墨烯对蛋白质结构和功能的破坏作用，比较了它们的生物学响应。结果表明，石墨烯对HP35结构的破坏更严重，表明与石墨烯相比，磷烯与HP35的相互作用较弱。对另外两种模型材料--伪膦和伪石墨烯的进一步分析表明，皱折的表面可以在削弱材料破坏蛋白质的能力方面产生显著的影响。这些发现可能有助于理解/设计蛋白质-纳米材料的相互作用，并将有助于新的纳米材料--磷烯的生物应用。(C)2015爱思唯尔有限公司。保留所有权利。
Phosphorene, a novel two-dimensional material with a puckered surface morphology, has been considered a potentially better alternative to graphene for future applications. Therefore, it is important to evaluate and compare the biological responses of phosphorene and graphene. In this paper, with large scale molecular dynamics simulations, the villin headpiece (HP35) was used as a model protein to investigate the disruption of protein's structure (and function) caused by both phosphorene and graphene, for comparison of their biological responses. The results show that graphene's disruption to the structure of HP35 is more severe, indicating that phosphorene's interactions with HP35 are weaker as compared to graphene. Further analysis with two additional model materials, pseudo-phosphorene and pseudo-graphene, reveal that the puckered surface can have a significant effect in weakening the materials' ability to disrupt proteins. These findings might shed light on understanding/designing the protein-nanomaterial interactions and would be helpful for the bioapplications of the new nanomaterial, phosphorene. (C) 2015 Elsevier Ltd. All rights reserved.