Theoretical model of biomacromolecule through nanopore including effects of electrolyte and excluded volume

doi:10.1007/s10483-016-2082-6

Abstract

Abstract:

A theoretical model for the translocation process of biomacromolecule is de-veloped based on the self-consistent field theory (SCFT), where the biomacromolecule is regarded as a self-avoiding polymer chain actuated by the external potential. In this the-oretical model, the external potential, the Coulomb electrostatic potential of the charged ions (the electrolyte effect), and the attractive interaction between the polymer and the nanopore (the excluded volume effect) are all considered, which have effects on the free energy landscape and conformation entropy during the translocation stage. The result shows that the entropy barrier of the polymer in the solution with high valence electrolyte is much larger than that with low valence electrolyte under the same condition, leading to that the translocation time of the DNA molecules in the solution increases when the valence electrolyte increases. In addition, the attractive interaction between the polymer and the nanopore increases the free energy of the polymer, which means that the prob-ability of the translocation through the nanopore increases. The average translocation time decreases when the excluded volume effect parameter increases. The electrolyte ef-fect can prolong the average translocation time. The simulation results agree well with the available experimental results.

Key words: excluded volume effect, free energy, polymer through nanopore, electrolyte effect, conformation entropy

2010 MSC Number:

74F10
74L15

Chibin ZHANG, Xiaohui LIN, Hao YANG. Theoretical model of biomacromolecule through nanopore including effects of electrolyte and excluded volume. Applied Mathematics and Mechanics (English Edition), 2016, 37(6): 787-802.

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