Photoinduced intersystem crossing in DNA oxidative lesions and epigenetic intermediates
Antonio Francés‐Monerris, Mauricio Lineros‐Rosa, Miguel A. Miranda, Virginie Lhiaubet‐Vallet, Antonio Monari
Abstract
The propensity of 5-formyluracil and 5-formylcytosine, i.e. oxidative lesions and epigenetic intermediates, in acting as intrinsic DNA photosensitizers is unraveled by using a combination of molecular modeling, simulation and spectroscopy. Exploration of potential energy surfaces and non-adiabatic dynamics confirm a higher intersystem crossing rate for 5-formyluracil, whereas the kinetic models evidence different equilibria in the excited states for both compounds.
Topics & Concepts
Intersystem crossingEpigeneticsDNAOxidative phosphorylationChemistryPhotochemistryBiophysicsSpectroscopyDNA damageBiologyBiochemistryPhysicsGeneExcited stateQuantum mechanicsSinglet stateNuclear physicsDNA and Nucleic Acid ChemistryMetal complexes synthesis and propertiesDNA Repair Mechanisms