A kinetic model of shear-induced rupture of short dsDNA

Ayman Hussein; Ralf Bundschuh

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arXiv · 2606.10955

A kinetic model of shear-induced rupture of short dsDNA

Ayman Hussein·Ralf Bundschuh

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Abstract

Force-induced dissociation of short double-stranded DNA (dsDNA) is central to single-molecule biophysics and DNA nanotechnology, yet a physically grounded kinetic description of shear-induced rupture for finite-length constructs remains lacking. Here we develop a master equation framework built on a force-dependent nucleation-zipper pathway with single-base transitions, enabling direct calculation of dissociation rates and transition state distances over a broad force range. Applied to a DNA-gold nanoparticle-DNA construct under constant shear force, the model accurately reproduces the experimental room-temperature data in the covered force regime and provides a unified interpretation of prior measurements on similarly sheared duplexes across all force regimes. A central result is that the three-dimensional helical geometry of dsDNA is essential for correctly defining the end to end distance under shear in the rod-like polymer model of short dsDNA. We further show that the extracted transition state distances are robust to variations in ssDNA polymer parameters within the experimentally relevant regime. Finally, we analyze the temperature dependence of the transition state distance and discuss how our framework captures globally-heated rupture while identifying the additional complications introduced by localized plasmonic heating in gold nanoparticle-coupled constructs. These results provide a predictive kinetic foundation for interpreting force-rupture experiments and for designing force- and temperature-actuated DNA nanostructures.

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Ayman Hussein, Ralf Bundschuh. 2026-06-09. A kinetic model of shear-induced rupture of short dsDNA. https://arxiv.org/abs/2606.10955

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