Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting
Abstract
:1. Introduction
2. Results and Discussion
2.1. Equilibrium Phases of the Semiflexible Ring Polyelectrolyte
2.2. Statistical Properties of the Ring Polyelectrolyte
2.3. Phase Diagram of the Ring Polyelectrolyte
3. Model and Methods
3.1. The Coarse-Grained Model of the Semiflexible Ring Polyelectrolyte in Multivalent Salt Solution
3.2. Molecular Dynamics Simulations
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Lu, D.; Chai, A.; Hu, X.; Zhong, P.; Kang, N.; Kuang, X.; Yang, Z. Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting. Int. J. Mol. Sci. 2024, 25, 8268. https://doi.org/10.3390/ijms25158268
Lu D, Chai A, Hu X, Zhong P, Kang N, Kuang X, Yang Z. Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting. International Journal of Molecular Sciences. 2024; 25(15):8268. https://doi.org/10.3390/ijms25158268
Chicago/Turabian StyleLu, Dan, Aihua Chai, Xiuxia Hu, Peihua Zhong, Nianqian Kang, Xianfei Kuang, and Zhiyong Yang. 2024. "Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting" International Journal of Molecular Sciences 25, no. 15: 8268. https://doi.org/10.3390/ijms25158268