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arxiv: 1112.2733 · v1 · pith:5ZV65GFEnew · submitted 2011-12-12 · ⚛️ physics.chem-ph · physics.bio-ph

Spin-blockade effect and coherent control of DNA-damage by free radicals: a proposal on bio-spintronics

classification ⚛️ physics.chem-ph physics.bio-ph
keywords freemolecularradicalsstatecoherentcontroleffectefficiently
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Coherent control of OH-free radicals interacting with the spin-triplet state of a DNA molecule is investigated. A model Hamiltonian for molecular spin singlet-triplet resonance is developed. We illustrate that the spin-triplet state in DNA molecules can be efficiently populated, as the spin-injection rate can be tuned to be orders of magnitudes greater than the decay rate due to small spin-orbit coupling in organic molecules. Owing to the nano-second life-time of OH free radicals, a non-equilibrium free energy barrier induced by the injected spin triplet state that lasts approximately longer than one-micro second in room temperature can efficiently block the initial Hydrogen abstraction and DNA damage. For a direct demonstration of the spin-blockade effect, a molecular simulation based on an {\em ab-initio} Car-Parrinello molecular dynamics is deployed.

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