Impact of Amino Acid Environment on Electron Attachment to DNA: The Role of Zwitterionic Form
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866910035190218752 |
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| author | Gogoi, Ankita J, Jishnu Narayanan S Mandal, Sujan Dutta, Achintya Kumar |
| author_facet | Gogoi, Ankita J, Jishnu Narayanan S Mandal, Sujan Dutta, Achintya Kumar |
| contents | We have studied the effect of zwitterionic form of the amino acid on the electron attachment to DNA using thymine glycine as a model system. The electron attachment to thymine in the presence of glycine takes place through a "doorway mechanism", where the electron density in the initial anionic state remains away from the nuclear framework of thymine. The electron gets transferred to nucleobase through mixing of electronic and nuclear degrees of freedom and glycine plays an important role in modulating the rate of electron transfer. The charge separation in the zwitterionic glycine make them a better trap for the electron than the native glycine and it can act as a better shield to the incoming electron. However, in the bulk solvated thymine anion the presence of zwitterionic glycine does not lead to any proton transfer to nucleobase, which makes it more resilient to base damage. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_23908 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Impact of Amino Acid Environment on Electron Attachment to DNA: The Role of Zwitterionic Form Gogoi, Ankita J, Jishnu Narayanan S Mandal, Sujan Dutta, Achintya Kumar Chemical Physics We have studied the effect of zwitterionic form of the amino acid on the electron attachment to DNA using thymine glycine as a model system. The electron attachment to thymine in the presence of glycine takes place through a "doorway mechanism", where the electron density in the initial anionic state remains away from the nuclear framework of thymine. The electron gets transferred to nucleobase through mixing of electronic and nuclear degrees of freedom and glycine plays an important role in modulating the rate of electron transfer. The charge separation in the zwitterionic glycine make them a better trap for the electron than the native glycine and it can act as a better shield to the incoming electron. However, in the bulk solvated thymine anion the presence of zwitterionic glycine does not lead to any proton transfer to nucleobase, which makes it more resilient to base damage. |
| title | Impact of Amino Acid Environment on Electron Attachment to DNA: The Role of Zwitterionic Form |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2602.23908 |