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
[11]  
Huang J, 2017, NAT METHODS, V14, P71, DOI [10.1038/nmeth.4067, 10.1038/NMETH.4067]
[12]   Ligand-Ligand-Interaction-Dominated Self-Assembly of Gold Nanoparticles at the Oil/Water Interface: An Atomic-Scale Simulation [J].
Jia, Haihong ;
Zhang, Yan-Fang ;
Zhang, Chunlei ;
Ouyang, Min ;
Du, Shixuan .
JOURNAL OF PHYSICAL CHEMISTRY B, 2023, 127 (10) :2258-2266
[13]   COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER [J].
JORGENSEN, WL ;
CHANDRASEKHAR, J ;
MADURA, JD ;
IMPEY, RW ;
KLEIN, ML .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) :926-935
[14]   Molecular Dynamics Simulation of the Conformational Structure of Polyampholyte Polypeptides at the Surface of a Charged Gold Nanoparticle in External Electric Field [J].
Kruchinin, N. Yu. ;
Kucherenko, M. G. .
POLYMER SCIENCE SERIES A, 2023, 65 (02) :224-233
[15]   Rearrangements in the Conformational Structure of Polyelectrolytes on the Surface of a Flattened Metal Nanospheroid in an Alternating Electric Field [J].
Kruchinin, N. Yu. ;
Kucherenko, M. G. .
COLLOID JOURNAL, 2023, 85 (01) :44-58
[16]   Conformational Changes in Polyampholyte Macrochains on the Surface of an Oblate Metallic Nanospheroid in Alternating Electric Field [J].
Kruchinin, N. Yu. ;
Kucherenko, M. G. .
HIGH ENERGY CHEMISTRY, 2022, 56 (06) :499-510
[17]   Modeling Conformational Changes in Uniformly Charged Polyelectrolytes on the Surface of a Polarized Metallic Oblate Nanospheroid [J].
Kruchinin, N. Yu. ;
Kucherenko, M. G. ;
Neyasov, P. P. .
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 96 (12) :2718-2728
[18]   Statistical and Molecular-Dynamics Simulation of Electrically Induced Changes in the Conformational Structure of Polyampholytes on the Surface of a Flattened Metal Nanospheroid [J].
Kruchinin, N. Yu ;
Kucherenko, M. G. .
COLLOID JOURNAL, 2022, 84 (02) :169-182
[19]   Molecular Dynamics Simulation of the Conformational Structure of Uniform Polypeptides on the Surface of a Polarized Metal Prolate Nanospheroid with Varying pH [J].
Kruchinin, N. Yu ;
Kucherenko, M. G. .
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 96 (03) :624-632
[20]   Modeling the Conformational Rearrangement of Polyampholytes on the Surface of a Prolate Spheroidal Metal Nanoparticle in Alternating Electric Field [J].
Kruchinin, N. Yu. ;
Kucherenko, M. G. .
HIGH ENERGY CHEMISTRY, 2021, 55 (06) :442-453