Title: Trapped-ion Simulations of Molecular Electron Transfer, Long-distance Backbone Charge Transport in Microsolvated DNA and Centimeter-scale Charge Transport in Bacterial Cables
When: Tuesday, July 23, 2024, 12:00
Place: Department of Theoretical Condensed Matter Physics, Faculty of Sciences, Module 5, Seminar Room (5th Floor)
Speaker: Spiros Skourtis, University of Cyprus, Cyprus.
I will discuss different topics in molecular electron transfer and transport. The first involves a proposal to use trapped-ion simulations to explore novel regimes in molecular electron transfer that cannot be probed easily in condensed-phase molecular experiments [1]. The proposal has recently been implemented experimentally with encouraging results. The second topic relates to molecular-junction experiments in 100 base-pair dry DNA that probe the effects on the current of backbone nicks [2]. These experiments suggested a central role of the backbone on mediating the current [2]. Recent MD simulations coupled to electronic-structure computations show that that the low solvation environment in this experiment weakens base-mediated transport and enhances phosphate-mediated transport [3]. Our results are relevant to any junction experiment that involves long DNA molecules in a low-solvation environment. If time allows, I will introduce the new area of centimeter-distance charge transport in bacterial cables.
References
- Schlawin, Frank, et al. “Continuously parametrized quantum simulation of molecular electron-transfer reactions.” PRX Quantum 2.1 (2021): 010314.
- Zhuravel, Roman, et al. “Backbone charge transport in double-stranded DNA.” Nature nanotechnology 15.10 (2020): 836-840.
- Polycarpou, Georgia, and Spiros S. Skourtis. “Intra-strand phosphate-mediated pathways in microsolvated double-stranded DNA.” Journal of Physics: Condensed Matter (2024).
