Molecular dynamics simulation of the rearrangement of polyampholyte conformations on the surface of a charged oblate metal nanospheroid in a microwave electric field

被引:0
作者
Kruchinin, Nikita Yu. [1 ]
机构
[1] Orenburg State Univ, Ctr Laser & Informat Biophys, Orenburg, Russia
来源
NANOSYSTEMS-PHYSICS CHEMISTRY MATHEMATICS | 2023年 / 14卷 / 06期
关键词
polyampholyte; oblate metallic nanospheroid; conformational changes; adsorption; molecular dynamics; GOLD NANOPARTICLES; POLYELECTROLYTES; INTERFACES;
D O I
10.17586/2220-8054-2023-14-6-719-728
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Using molecular dynamics, the rearrangement of the conformational structure of polyampholytes on the surface of a gold oblate nanospheroid in an alternating electric field was studied depending on the value of its total charge. On the surface of the nanospheroid, at its high total charge and at small amplitude of the alternating electric field strength vector, polyampholyte loops stretched over the entire surface of the nanospheroid. With an increase in the amplitude of the electric field in the equatorial region of the nanospheroid, an annular polyampholytic fringe was formed, ordered by the types of links depending on the distance to the polarization axis of the nanoparticle. In the case of high simulation temperature, the shape of the annular fringe changed twice over a period: in one case, ordering according to the types of links along the polarization axis of the nanospheroid, and in the other case, perpendicular to it.
引用
收藏
页码:719 / 728
页数:10
相关论文
共 49 条
[1]   Plasmonic Modes and Optical Properties of Gold and Silver Ellipsoidal Nanoparticles by the Discrete Dipole Approximation [J].
Alsawafta, Mohammed ;
Wahbeh, Mamoun ;
Vo-Van Truong .
JOURNAL OF NANOMATERIALS, 2012, 2012
[2]   Electrically Responsive Surfaces: Experimental and Theoretical Investigations [J].
Cantini, Eleonora ;
Wang, Xingyong ;
Koelsch, Patrick ;
Preece, Jon A. ;
Ma, Jing ;
Mendes, Paula M. .
ACCOUNTS OF CHEMICAL RESEARCH, 2016, 49 (06) :1223-1231
[3]   Assembling Biocompatible Polymers on Gold Nanoparticles: Toward a Rational Design of Particle Shape by Molecular Dynamics [J].
Cappabianca, Roberta ;
De Angelis, Paolo ;
Cardellini, Annalisa ;
Chiavazzo, Eliodoro ;
Asinari, Pietro .
ACS OMEGA, 2022, 7 (46) :42292-42303
[4]   Effect of the surface charge density of nanoparticles on their translocation across pulmonary surfactant monolayer: a molecular dynamics simulation [J].
Chen, Peng ;
Zhang, Zuoheng ;
Gu, Ning ;
Ji, Min .
MOLECULAR SIMULATION, 2018, 44 (02) :85-93
[5]   Electrically Induced Conformational Change of Peptides on Metallic Nanosurfaces [J].
Chen, Yi ;
Cruz-Chu, Eduardo R. ;
Woodard, Jaie C. ;
Gartia, Manas R. ;
Schulten, Klaus ;
Liu, Logan .
ACS NANO, 2012, 6 (10) :8847-8856
[6]   PARTICLE MESH EWALD - AN N.LOG(N) METHOD FOR EWALD SUMS IN LARGE SYSTEMS [J].
DARDEN, T ;
YORK, D ;
PEDERSEN, L .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (12) :10089-10092
[7]   Molecular dynamics simulation of drug delivery across the cell membrane by applying gold nanoparticle carrier: Flutamide as hydrophobic and glutathione as hydrophilic drugs as the case studies [J].
Farhadian, Nafiseh ;
Kazemi, Malihe Samadi ;
Baigi, Fatemeh Moosavi ;
Khalaj, Mehdi .
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2022, 116
[8]   In Situ Coupled Electrochemical-Goniometry as a Tool to Reveal Conformational Changes of Charged Peptides [J].
Ghafari, Amir Mohammad ;
Dominguez, Sergio E. ;
Jarvinen, Ville ;
Gounani, Zahra ;
Schmit, Amandine ;
Sjoqvist, Marika ;
Sahlgren, Cecilia ;
Salo-Ahen, Outi M. H. ;
Kvarnstrom, Carita ;
Torsi, Luisa ;
Osterbacka, Ronald .
ADVANCED MATERIALS INTERFACES, 2022, 9 (04)
[9]   On-Demand Electrical Switching of Antibody-Antigen Binding on Surfaces [J].
Gomes, Barbara Santos ;
Cantini, Eleonora ;
Tommasone, Stefano ;
Gibson, Joshua S. ;
Wang, Xingyong ;
Zhu, Qiang ;
Ma, Jing ;
McGettrick, James D. ;
Watson, Trystan M. ;
Preece, Jon A. ;
Kirkman-Brown, Jackson C. ;
Publicover, Stephen J. ;
Mendes, Paula M. .
ACS APPLIED BIO MATERIALS, 2018, 1 (03) :738-747
[10]   Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12-6 and 9-6 Lennard-Jones Potentials [J].
Heinz, Hendrik ;
Vaia, R. A. ;
Farmer, B. L. ;
Naik, R. R. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (44) :17281-17290