Molecular insights into the resistance of phospholipid heads to the membrane penetration of graphene nanosheets | |
Li, Zhen2; Zhu, Xiaohong4; Li, Jiawei2,5; Zhong, Jie1,3; Zhang, Jun2; Fan, Jun4 | |
刊名 | NANOSCALE |
2022-04-07 | |
卷号 | 14期号:14页码:5384-5391 |
ISSN号 | 2040-3364 |
DOI | 10.1039/d1nr07684a |
通讯作者 | Zhang, Jun(zhangjun.upc@gmail.com) ; Fan, Jun(junfan@cityu.edu.hk) |
英文摘要 | The interaction between nanomaterials and phospholipid membranes underlies many emerging biological applications. To what extent hydrophilic phospholipid heads shield the bilayer from the integration of hydrophobic nanomaterials remains unclear, and this open question contains important insights for understanding biological membrane physics. Here, we present molecular dynamics (MD) simulations to clarify the resistance of phospholipid heads to the membrane penetration of graphene nanosheets. With 130 simulation trials, we observed that similar to 22% graphene nanosheets penetrate the POPC bilayer. Sharp corners of the nanosheets should have a lower energy barrier than nanosheet edges, but interestingly, the membrane penetration mainly starts from the edge-approaching orientation. We thoroughly analyzed the pentration pathway and propulsion, indicating that the membrane penetration of graphene nanosheets is dominated by the joint effects of nanosheet edges and corners. Furthermore, the molecular origin of the resistance is clarified by evaluating the bilayers of different phospholipids, which successfully correlates the penetration resistance of phospholipid heads with the correlated motions of neighboring phospholipids for the first time. These results are expected to inspire future studies on the dynamic behavior of phospholipids, bio-nano interfaces, and design of biological nanomaterials. |
资助项目 | National Natural Science Foundation of China[12004438] ; Natural Science Foundation of Shandong Province[ZR2020QB078] ; Fundamental Research Funds for the Central Universities[20CX06011A] ; Research Grants Council of Hong Kong[CityU 11306517] ; Research Grants Council of Hong Kong[11305919] ; Research Grants Council of Hong Kong[11308620] ; NSFC/RGC Joint Research Scheme[N_CityU104/19] |
WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
语种 | 英语 |
出版者 | ROYAL SOC CHEMISTRY |
WOS记录号 | WOS:000772130200001 |
内容类型 | 期刊论文 |
源URL | [http://ir.qdio.ac.cn/handle/337002/178440] |
专题 | 海洋研究所_海洋腐蚀与防护研究发展中心 |
通讯作者 | Zhang, Jun; Fan, Jun |
作者单位 | 1.Univ Penn, Dept Earth & Environm Sci, Philadelphia, PA 19104 USA 2.China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China 3.Univ Penn, Dept Chem, Philadelphia, PA 19104 USA 4.City Univ Hong Kong, Dept Mat Sci & Engn, Kowloon, Hong Kong 999077, Peoples R China 5.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China |
推荐引用方式 GB/T 7714 | Li, Zhen,Zhu, Xiaohong,Li, Jiawei,et al. Molecular insights into the resistance of phospholipid heads to the membrane penetration of graphene nanosheets[J]. NANOSCALE,2022,14(14):5384-5391. |
APA | Li, Zhen,Zhu, Xiaohong,Li, Jiawei,Zhong, Jie,Zhang, Jun,&Fan, Jun.(2022).Molecular insights into the resistance of phospholipid heads to the membrane penetration of graphene nanosheets.NANOSCALE,14(14),5384-5391. |
MLA | Li, Zhen,et al."Molecular insights into the resistance of phospholipid heads to the membrane penetration of graphene nanosheets".NANOSCALE 14.14(2022):5384-5391. |
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