Directional and regioselective hole injection of spiropyran photoswitches intercalated into A/T-duplex DNA
Literature Information
Davide Avagliano, Pedro A. Sánchez-Murcia, Leticia González
The electron-hole injection from a family of spiropyran photoswitches into A/T-duplex DNA has been investigated at the molecular level for the first time. Multiscale computations coupled with automatized quantitative wavefunction analysis reveal a pronounced directionality and regioselectivity towards the template strand of the duplex DNA. Our findings suggest that this directional and regioselective photoinduced electron-hole transfer could thus be exploited to tailor the charge transport processes in DNA in specific applications.
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![2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-1,3-propanediol structure 2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-1,3-propanediol structure](https://static.chemtradehub.com/structs/222/222723-55-9-0348.webp)


