Density–nematic coupling in isotropic solution of DNA : multiscale model

Svenšek, Daniel (author), Sočan, Jaka (author), Praprotnik, Matej (author)

Monte Carlo simulations of isotropic solutions of double-stranded DNA (deoxyribonucleic acid) are performed using the well-established oxDNA model. By comparing the fluctuation amplitudes with theoretical predictions, the parameters of a generic macroscopic model of an isotropic linear polymer solution/melt are determined. A multiscale continuum field model is thus obtained, corresponding to the full specificity of the isotropic phase of double-stranded DNA in the usual B-form as perceived at the macroscopic level. Present research is particularly focused on the coupling between spatial concentration/density variations of the polymer and the emerging nematic orientation order of the chains. This rather unfamiliar, only recently described phenomenon, inherent to linear polymers, is outlined and interpreted. Quantitative predictions are provided for the degree of nematic order induced by concentration gradients in isotropic solutions of double-stranded DNA.

• Language: English
• Keywords: DNA, density–nematic coupling, isotropic phase, linear polymers
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FMF - Faculty of Mathematics and Physics
• Publication status: Published
• Publication version: Version of Record
• Year: 2024
• Number of pages: 12 str.
• Numbering: Vol. 45, iss. 24, art. 2400382
• PID: 20.500.12556/RUL-166321
• UDC: 577
• ISSN on article: 1521-3927
• DOI: 10.1002/marc.202400382
• COBISS.SI-ID: 205924099
• Publication date in RUL: 07.01.2025

Record is a part of a journal

• Title: Macromolecular rapid communications
• Shortened title: Macromol. rapid commun.
• Publisher: Wiley
• ISSN: 1521-3927
• COBISS.SI-ID: 21827589

Licences

• License: CC BY 4.0, Creative Commons Attribution 4.0 International
• Link: http://creativecommons.org/licenses/by/4.0/
• Description: This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.

Secondary language

• Language: Slovenian
• Keywords: biokemija, DNK, Monte Carlo, simulacije