Aix-Marseille Univ, Université de Toulon, CNRS, CPT, 13288 Marseille, France.
CNRS Centre de Physique Théorique UMR7332, 13288 Marseille, France.
Int J Mol Sci. 2021 Jul 8;22(14):7361. doi: 10.3390/ijms22147361.
By resorting to a model inspired to the standard Davydov and Holstein-Fröhlich models, in the present paper we study the motion of an electron along a chain of heavy particles modeling a sequence of nucleotides proper to a DNA fragment. Starting with a model Hamiltonian written in second quantization, we use the Time Dependent Variational Principle to work out the dynamical equations of the system. It can be found that, under the action of an external source of energy transferred to the electron, and according to the excitation site, the electron current can display either a broad frequency spectrum or a sharply peaked frequency spectrum. This sequence-dependent charge transfer phenomenology is suggestive of a potentially rich variety of electrodynamic interactions of DNA molecules under the action of electron excitation. This could imply the activation of interactions between DNA and transcription factors, or between DNA and external electromagnetic fields.
借助受标准 Davydov 和 Holstein-Fröhlich 模型启发的模型,本文研究了沿重粒子链(模型为 DNA 片段的特定核苷酸序列)运动的电子的运动。从用二次量子化写出的模型哈密顿量出发,我们使用时间相关变分原理得出系统的动力学方程。可以发现,在外能源作用下转移到电子上,根据激发部位,电子电流可以显示出宽频谱或尖锐的峰频谱。这种与序列相关的电荷转移现象表明,在电子激发作用下,DNA 分子可能存在多种多样的电动力学相互作用。这可能意味着激活 DNA 与转录因子之间或 DNA 与外部电磁场之间的相互作用。