Molecular insights into the resistance of phospholipid heads to the membrane penetration of graphene nanosheets

doi:10.1039/d1nr07684a

	Molecular insights into the resistance of phospholipid heads to the membrane penetration of graphene nanosheets
	Li, Zhen 1; Zhu, Xiaohong 2; Li, Jiawei 1,3; Zhong, Jie 4,5; Zhang, Jun 1; Fan, Jun 2
	2022-04-07
发表期刊	NANOSCALE
ISSN	2040-3364
卷号	14 期号:14 页码:5384-5391
通讯作者	Zhang, Jun([email protected]) ; Fan, Jun([email protected])
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.
DOI	10.1039/d1nr07684a
收录类别	SCI
语种	英语
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
WOS类目	Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000772130200001
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.qdio.ac.cn/handle/337002/178441
专题	海洋环境腐蚀与生物污损重点实验室
通讯作者	Zhang, Jun; Fan, Jun
作者单位	1.China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China 2.City Univ Hong Kong, Dept Mat Sci & Engn, Kowloon, Hong Kong 999077, Peoples R China 3.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China 4.Univ Penn, Dept Earth & Environm Sci, Philadelphia, PA 19104 USA 5.Univ Penn, Dept Chem, Philadelphia, PA 19104 USA
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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