Electric Field-Controlled Peptide Self-Assembly through Funnel-Shaped Two-Dimensional Nanopores

被引:2
作者
Jia, Xiao [1 ]
Liu, Yang [1 ]
Qu, Yuanyuan [1 ]
Li, Yong-Qiang [1 ]
Liu, Xiangdong [1 ]
Liu, Peng [2 ,3 ]
Li, Weifeng [1 ]
机构
[1] Shandong Univ, Sch Phys, Jinan 250100, Shandong, Peoples R China
[2] Shandong Univ, Inst Frontier & Interdisciplinary Sci, Qingdao 266237, Peoples R China
[3] Shandong Univ, Key Lab Particle Phys & Particle Irradiat MOE, Qingdao 266237, Peoples R China
基金
中国国家自然科学基金;
关键词
2D funnel; nanodevice; electric field; controlled peptide self-assembly; molecular dynamics simulation; PARTICLE MESH EWALD; MOLECULAR-DYNAMICS; DRUG-DELIVERY; GRAPHENE; PROTEIN; C3N; BC3; NO2; NANOMATERIALS; DISSOCIATION;
D O I
10.1021/acsami.2c13590
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Self-assembly of biomolecules is critical for the realization of biological functions. Thus, the precise control of self-assembly has great significance in the design of biochips and biomedical agents. In this report, we design a Y-shaped funnel on a two-dimensional (2D) heterostructure, called 2D funnel, based on monolayered polyaniline carbon nitride (C3N) and boron carbide (BC3), and study its application in the self-assembly state regulation of the peptide oligomer, using A beta(16-21) as the representative model. Structurally, the 2D funnel is composed of three regions: channel area, triangle area, and barrier area. The channel and triangle areas show higher binding affinity to the peptide than that of the barrier area, which leads to the confinement of the peptide in the 2D funnel. Our results show that when an external electric field is applied along the 2D funnel, the oligomer is driven to migrate across the funnel. Its trajectory is confined inside the narrow channel area, which effectively causes peptide dissociation into the individual peptide chains. Then, when the external electric field is turned off, the separated peptide chains spontaneously assemble in the triangle area and tend to reunite. Our present findings propose a novel heterostructure platform, which enables the manipulation of the self-assembly state of peptides by switching the electric field, which could guide the design and fabrication of nanodevices for sensing and sequencing applications.
引用
收藏
页码:51183 / 51189
页数:7
相关论文
共 71 条
[21]   Hydration thermodynamic properties of amino acid analogues: A systematic comparison of biomolecular force fields and water models [J].
Hess, Berk ;
van der Vegt, Nico F. A. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (35) :17616-17626
[22]   VMD: Visual molecular dynamics [J].
Humphrey, W ;
Dalke, A ;
Schulten, K .
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1996, 14 (01) :33-38
[23]   Thermodynamics of A16-21 dissociation from a fibril: Enthalpy, entropy, and volumetric properties [J].
Jampani, Srinivasa Rao ;
Mahmoudinobar, Farbod ;
Su, Zhaoqian ;
Dias, Cristiano L. .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2015, 83 (11) :1963-1972
[24]  
Jariwala D, 2017, NAT MATER, V16, P170, DOI [10.1038/nmat4703, 10.1038/NMAT4703]
[25]   Exploring the biotoxicity of carbon boride nanosheets (BC3) based on the villin headpiece protein model [J].
Jia, Xiao ;
Liu, Yang ;
Yang, Yanmei ;
Zhang, Chao ;
Qu, Yuanyuan ;
Li, Yong-Qiang ;
Liu, Xiangdong ;
Li, Weifeng .
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2022, 55 (17)
[26]   Tuning the binding behaviors of a protein YAP65WW domain on graphenic nano-sheets with boron or nitrogen atom doping [J].
Jia, Xiao ;
Yang, Yanmei ;
Liu, Yang ;
Niu, Weihua ;
Li, Yong-Qiang ;
Zhao, Mingwen ;
Mu, Yuguang ;
Li, Weifeng .
NANOSCALE ADVANCES, 2020, 2 (10) :4539-4546
[27]   MULTIDIMENSIONAL FREE-ENERGY CALCULATIONS USING THE WEIGHTED HISTOGRAM ANALYSIS METHOD [J].
KUMAR, S ;
ROSENBERG, JM ;
BOUZIDA, D ;
SWENDSEN, RH ;
KOLLMAN, PA .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1995, 16 (11) :1339-1350
[28]   Capping effects on polymorphic Aβ16-21 amyloids depend on their size: A molecular dynamics simulation study [J].
Lee, Myeongsang ;
Chang, Hyun Joon ;
Choi, Hyunsung ;
Na, Sungsoo .
BIOPHYSICAL CHEMISTRY, 2018, 232 :1-11
[29]   Biomimetic peptide self-assembly for functional materials [J].
Levin, Aviad ;
Hakala, Tuuli A. ;
Schnaider, Lee ;
Bernardes, Goncalo J. L. ;
Gazit, Ehud ;
Knowles, Tuomas P. J. .
NATURE REVIEWS CHEMISTRY, 2020, 4 (11) :615-634
[30]  
Li L.L., 2021, A bioactivated in vivo assembly (BIVA) nanotechnology fabricated NIR probe for small pancreatic tumor intraoperative navigation imaging