20.500.12556/RUL-166321 Density–nematic coupling in isotropic solution of DNA multiscale model 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. DNA density–nematic coupling isotropic phase linear polymers biokemija DNK Monte Carlo simulacije true false true Angleški jezik Slovenski jezik Članek v reviji 2025-01-07 14:02:58 2025-01-07 14:02:59 2025-01-08 04:00:00 0000-00-00 00:00:00 2024 0 0 12 str. iss. 24, art. 2400382 Vol. 45 Dec. 2024 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 577 1521-3927 10.1002/marc.202400382 205924099 Macromolecular_Rapid_Communications_-_2024_-_Svensek_-_Density_Nematic_Coupling_in_Isotropic_Solution_of_DNA__Multiscale.pdf Macromolecular_Rapid_Communications_-_2024_-_Svensek_-_Density_Nematic_Coupling_in_Isotropic_Solution_of_DNA__Multiscale.pdf 1 D47717E05ED506B7E2B85C8E0A021895 b8da4b4e7d6addb1c27f0c63bb26f62f199a91c26f8aff86c422e981b922af36 4ba58368-ccf7-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=197859 https://onlinelibrary.wiley.com/doi/10.1002/marc.202400382 1 029d3e81-ccf7-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=197858 Fakulteta za matematiko in fiziko 0 0 0