Department of Physics, Centre for Condensed Matter Theory, Indian Institute of Science, Bangalore 560012, India.
Bhupat and Jyoti Mehta School of Biosciences, Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036, India.
J Chem Phys. 2018 Jul 28;149(4):045104. doi: 10.1063/1.5026640.
Persistence length of double-stranded DNA (dsDNA) is known to decrease with an increase in ionic concentration of the solution. In contrast to this, here we show that the persistence length of dsDNA increases dramatically as a function of ionic liquid (IL) concentration. Using all atom explicit solvent molecular dynamics simulations and theoretical models, we present, for the first time, a systematic study to determine the mechanical properties of dsDNA in various hydrated ILs at different concentrations. We find that dsDNA in 50 wt % ILs have lower persistence length and stretch modulus in comparison to 80 wt % ILs. We further observe that both the persistence length and stretch modulus of dsDNA increase as we increase the concentration of ILs. The present trend of the stretch modulus and persistence length of dsDNA with IL concentration supports the predictions of the macroscopic elastic theory, in contrast to the behavior exhibited by dsDNA in monovalent salt. Our study further suggests the preferable ILs that can be used for maintaining DNA stability during long-term storage.
双链 DNA(dsDNA)的刚性长度随溶液离子浓度的增加而降低。与此相反,我们在这里表明,dsDNA 的刚性长度随着离子液体(IL)浓度的增加而显著增加。我们使用全原子显式溶剂分子动力学模拟和理论模型,首次对不同浓度下各种水合 IL 中 dsDNA 的力学性能进行了系统研究。我们发现,与 80wt%的 IL 相比,50wt%的 IL 中的 dsDNA 具有更低的刚性长度和拉伸模量。我们进一步观察到,随着 IL 浓度的增加,dsDNA 的刚性长度和拉伸模量都增加。dsDNA 的拉伸模量和刚性长度随 IL 浓度的变化趋势与宏观弹性理论的预测相符,这与 dsDNA 在单价盐中的行为形成了对比。我们的研究进一步表明,在长期储存过程中,可以使用某些优选的 IL 来维持 DNA 的稳定性。