Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting.

Polyelectrolytes / chemistry Molecular Dynamics Simulation Salts / chemistry Molecular Conformation Solutions
Debye length molecular dynamics phase transition semiflexible ring polyelectrolyte tetravalent salt solution

Journal

International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791

Informations de publication

Date de publication:
29 Jul 2024
Historique:
received: 29 05 2024
revised: 23 07 2024
accepted: 25 07 2024
medline: 10 8 2024
pubmed: 10 8 2024
entrez: 10 8 2024
Statut: epublish

Résumé

In this work, the conformational behaviors of ring polyelectrolyte in tetravalent salt solutions are discussed in detail through molecular dynamics simulation. For simplification, here we have neglected the effect of the twisting interaction, although it has been well known that both bending and twisting interactions play a deterministic in the steric conformation of a semiflexible ring polymer. The salt concentration

Identifiants

DOI: 10.3390/ijms25158268 PMID: 39125837
pubmed: 39125837
pii: ijms25158268
doi: 10.3390/ijms25158268
pii:
doi:

Substances chimiques

Polyelectrolytes 0
Salts 0
Solutions 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : the National Natural Science Foundation of China
ID : 22363005, 22173080, 21873082 and 61762048
Organisme : the Jiangxi Provincial Natural Science Foundation
ID : GJJ2200416

Auteurs

Dan Lu (D)

Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China.

Aihua Chai (A)

College of Data Sience, Jiaxing University, Jiaxing 314001, China.

Xiuxia Hu (X)

Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China.

Peihua Zhong (P)

College of Computer Information and Engineering, Jiangxi Agricultural University, Nanchang 330045, China.

Nianqian Kang (N)

Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China.

Xianfei Kuang (X)

Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China.

Zhiyong Yang (Z)

Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China.

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Classifications MeSH

questionsmedicales.fr › Structures macromoléculaires › Polyélectrolytes › Conformational Transition of Semiflexible Ring...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Conformational Transition of Semiflexible Ring...
questionsmedicales.fr › Produits chimiques inorganiques › Sels › Conformational Transition of Semiflexible Ring...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › Conformational Transition of Semiflexible Ring...
questionsmedicales.fr › Préparations pharmaceutiques › Solutions › Conformational Transition of Semiflexible Ring...