A Simple and Efficient Algorithm to Identify the Chirality of Polymer Knots Based on the Alexander Polynomial

Qi-Yuan Qiu; Yong-Jian Zhu; Zhong-Tao Wu; Liang Dai

doi:10.1007/s10118-024-3194-5

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A Simple and Efficient Algorithm to Identify the Chirality of Polymer Knots Based on the Alexander Polynomial

RESEARCH ARTICLE | Updated：2024-12-03

- A Simple and Efficient Algorithm to Identify the Chirality of Polymer Knots Based on the Alexander Polynomial
- A Simple and Efficient Algorithm to Identify the Chirality of Polymer Knots Based on the Alexander Polynomial
- 高分子科学（英文版） 2024年42卷第12期页码：2030-2037
- Affiliations：
  
  a.Department of Physics, City University of Hong Kong, Hong Kong 999077, China
  b.Shenzhen Research Institute, City University of Hong Kong, Shenzhen 518057, China
  c.Department of Mathematics, The Chinese University of Hong Kong, Hong Kong 999077, China
- Author bio：
  
  liangdai@cityu.edu.hk
- Funds：
  
  This work was financially supported by the National Natural Science Foundation of China (No. 21973080), Research Grants Council of Hong Kong (Nos. 21302520, 11313322 and 14301819), and Guangdong Basic and Applied Basic Research Fund (No. 2022A1515010484).
- DOI：10.1007/s10118-024-3194-5
  中图分类号：
- 纸质出版日期：2024-12-01，
  
  网络出版日期：2024-09-18，
  
  收稿日期：2024-05-24，
  
  修回日期：2024-06-12，
  
  录用日期：2024-06-15
- Accepted：
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Qiu, Q. Y.; Zhu, Y. J.; Wu, Z. T.; Dai, L. A simple and efficient algorithm to identify the chirality of polymer knots based on the alexander polynomial. Chinese J. Polym. Sci. 2024, 42, 2030–2037

QI-YUAN QIU, YONG-JIAN ZHU, ZHONG-TAO WU, et al. A Simple and Efficient Algorithm to Identify the Chirality of Polymer Knots Based on the Alexander Polynomial. [J]. Chinese journal of polymer science, 2024, 42(12): 2030-2037.
Qiu, Q. Y.; Zhu, Y. J.; Wu, Z. T.; Dai, L. A simple and efficient algorithm to identify the chirality of polymer knots based on the alexander polynomial. Chinese J. Polym. Sci. 2024, 42, 2030–2037 DOI： 10.1007/s10118-024-3194-5.

QI-YUAN QIU, YONG-JIAN ZHU, ZHONG-TAO WU, et al. A Simple and Efficient Algorithm to Identify the Chirality of Polymer Knots Based on the Alexander Polynomial. [J]. Chinese journal of polymer science, 2024, 42(12): 2030-2037. DOI： 10.1007/s10118-024-3194-5.

摘要

We develop a simple and efficient algorithm to identify the chirality of polymer knots

which is very useful in the research of polymer knots. We prove the correctness of this algorithm mathematically.

Abstract

Recent experimental observations of knotting in DNA and proteins have stimulated the simulation studies of polymer knots. Simulation studies usually identify knots in polymer conformations through the calculation of the Alexander polynomial. However

the Alexander polynomial cannot directly discriminate knot chirality

while knot chirality plays important roles in many physical

chemical

and biological properties. In this work

we discover a new relationship for knot chirality and accordingly

develop a new algorithm to extend the applicability of the Alexander polynomial to the identification of knot chirality. Our algorithm adds an extra step in the ordinary calculation of the Alexander polynomial. This extra step only slightly increases the computational cost. The correctness of our algorithm has been proved mathematically by us. The implication of this algorithm in physical research has been demonstrated by our studies of the tube model for polymer knots. Without this algorithm

we would be unable to obtain the tubes for polymer knots.

关键词

Keywords

Polymer entanglementPolymer knotPolymer conformationTube modelMonte Carlo simulation

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