Expansion Kinetics of Single Chains Released from a Confining Cavity in 2D and 3D Spaces

Pai-Yi Hsiao^1*

¹Department of Engineering and System Science, National Tsing Hua University, Hsinchu, Taiwan

* Presenter:Pai-Yi Hsiao, email:pyhsiao@ess.nthu.edu.tw

In this work, I present a general theory that explains the expansion behavior of a decompressed polymer when released from a circular cavity in a d-dimensional space. This theory establishes a compelling framework for understanding the complex kinetics of expansion, such as the unpacking processes of biopolymers during genome release from viruses, which currently lacks an appropriate explanation. The developed theory can help resolve certain inconsistencies observed in the fields of globule-to-coil transitions and chain swelling mechanisms. It also provides valuable insights for the development of protocols in drug delivery or gene therapy applications. The theory is validated through meticulous quasi-2D simulations and further supported by extensive simulations in 3D space. A promising application to explain the decompression phenomena of DNA chain in 1D nanochannels is discussed. Therefore, this work offers a comprehensive perspective on the general expansion process of chains across different spatial dimensions

Keywords: polymer expansion, kinetics, genome release, molecular dynamics simulations