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Charge transport in a DNA model with solvent interaction
Journal of Biological Physics ( IF 1.8 ) Pub Date : 2018-07-03 , DOI: 10.1007/s10867-018-9503-x
H Ngoubi 1 , G H Ben-Bolie 2 , T C Kofané 3
Affiliation  

The charge transport in the modified DNA model is studied by taking into account the factor of solvent and the effect of coupling motions of nucleotides. We report on the presence of the modulational instability (MI) of a plane wave for charge migration in DNA and the generation of soliton-like excitations in DNA nucleotides. By applying the continuum approximation, we show that the original differential-difference equation for the DNA dynamics can be reduced to a set of three coupled nonlinear equations. The linear stability analysis of wave solutions of the coupled systems is performed and the growth rate of instability is found numerically. We also investigate the impact of solvent interaction. The solvent factor introduces a new behavior to the wave patterns, modifying also the intrinsic properties of localized structures. In the numerical simulations, we show that the solitons exists when taking into account the effect of solvent and confirms an highest propagation of localized structures in the systems. The effect of solvent forces introduces a robustness behavior to the formed patterns, reinforcing the idea that the information in the DNA model is confined and concentrated to specific regions for efficiency. We also show that the localized structures can be disappeared with the highest value of solvent factor and thereafter the information within the molecule is not perceptible or not transmitted to another sites.

中文翻译:

具有溶剂相互作用的 DNA 模型中的电荷传输

通过考虑溶剂因素和核苷酸耦合运动的影响,研究了改进的DNA模型中的电荷传输。我们报告了 DNA 中电荷迁移的平面波调制不稳定性 (MI) 的存在以及 DNA 核苷酸中类孤子激发的产生。通过应用连续统近似,我们证明 DNA 动力学的原始微分-差分方程可以简化为一组三个耦合的非线性方程。对耦合系统的波解进行了线性稳定性分析,并用数值方法求出了不稳定性的增长率。我们还研究了溶剂相互作用的影响。溶剂因子为波型引入了新的行为,也改变了局部结构的固有特性。在数值模拟中,我们表明,考虑到溶剂的影响时存在孤子,并证实了系统中局域结构的最高传播。溶剂力的作用为形成的模式引入了鲁棒性行为,强化了 DNA 模型中的信息被限制并集中到特定区域以提高效率的想法。我们还表明,随着溶剂因子的最高值,局部结构可以消失,此后分子内的信息不可感知或不会传输到其他位点。
更新日期:2018-07-03
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