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Modelling Photoionisation in Isocytosine: Potential Formation of Longer-Lived Excited State Cations in its Keto Form

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dc.contributor.author	Segarra Martí, Javier
dc.contributor.author	Bearpark, Michael J.
dc.date.accessioned	2022-04-26T14:00:43Z
dc.date.available	2022-04-26T14:00:43Z
dc.date.issued	2021
dc.identifier.uri	https://hdl.handle.net/10550/82398
dc.description.abstract	The photostability of isocytosine upon ionising radiation exposure is assessed theoretically in both keto and enol tautomeric forms. This non-canonical base, which features analogous UV excited state reactivity to DNA nucleobase cytosine, unexpectedly displays sizeable energy barriers along the cationic excited state in its keto form that hamper the decay. Simulations suggest isocytosine is less photostable against photoionisation, a factor that might contribute to selecting the more resilient cytosine under prebiotic VUV radiation exposure.
dc.language.iso	eng
dc.relation.ispartof	Chemphyschem, 2021, vol. 22, num. 21, p. 2172-2181
dc.source	Segarra Martí, Javier Bearpark, Michael J. 2021 Modelling Photoionisation in Isocytosine: Potential Formation of Longer-Lived Excited State Cations in its Keto Form Chemphyschem 22 21 2172 2181
dc.subject	ADN
dc.subject	Radiació ionitzant
dc.title	Modelling Photoionisation in Isocytosine: Potential Formation of Longer-Lived Excited State Cations in its Keto Form
dc.type	journal article	es_ES
dc.date.updated	2022-04-26T14:00:43Z
dc.identifier.doi	https://doi.org/10.1002/cphc.202100402
dc.identifier.idgrec	151779
dc.rights.accessRights	open access	es_ES