Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment
Studying the ultrafast dynamics of ionized aqueous biomolecules is important for gaining an understanding of the interaction of ionizing radiation with biological matter. Guanine plays an essential role in biological systems as one of the four nucleobases that form the building blocks of deoxyribonu...
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| Format: | Journal Article |
| Language: | English |
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2024
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| Online Access: | https://hdl.handle.net/10356/174680 https://api.elsevier.com/content/abstract/scopus_id/85182550859 |
| _version_ | 1826121803833016320 |
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| author | Ling, Christine Chun Hui Chan, Wei Xin Siow, Jing Xuan Loh, Zhi-Heng |
| author2 | School of Chemistry, Chemical Engineering and Biotechnology |
| author_facet | School of Chemistry, Chemical Engineering and Biotechnology Ling, Christine Chun Hui Chan, Wei Xin Siow, Jing Xuan Loh, Zhi-Heng |
| author_sort | Ling, Christine Chun Hui |
| collection | NTU |
| description | Studying the ultrafast dynamics of ionized aqueous biomolecules is important for gaining an understanding of the interaction of ionizing radiation with biological matter. Guanine plays an essential role in biological systems as one of the four nucleobases that form the building blocks of deoxyribonucleic acid (DNA). Guanine radicals can induce oxidative damage to DNA, particularly due to the lower ionization potential of guanine compared to the other nucleobases, sugars, and phosphate groups that are constituents of DNA. This study utilizes femtosecond optical pump-probe spectroscopy to observe the ultrafast vibrational wave packet dynamics of the guanine radical anion launched by photodetachment of the aqueous guanine dianion. The vibrational wave packet motion is resolved into 11 vibrational modes along which structural reorganization occurs upon photodetachment. These vibrational modes are assigned with the aid of density functional theory (DFT) calculations. Our work sheds light on the ultrafast vibrational dynamics following the ionization of nucleobases in an aqueous medium. |
| first_indexed | 2024-10-01T05:38:09Z |
| format | Journal Article |
| id | ntu-10356/174680 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T05:38:09Z |
| publishDate | 2024 |
| record_format | dspace |
| spelling | ntu-10356/1746802024-04-12T15:32:07Z Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment Ling, Christine Chun Hui Chan, Wei Xin Siow, Jing Xuan Loh, Zhi-Heng School of Chemistry, Chemical Engineering and Biotechnology School of Physical and Mathematical Sciences Chemistry Biomolecules Density functional theory Studying the ultrafast dynamics of ionized aqueous biomolecules is important for gaining an understanding of the interaction of ionizing radiation with biological matter. Guanine plays an essential role in biological systems as one of the four nucleobases that form the building blocks of deoxyribonucleic acid (DNA). Guanine radicals can induce oxidative damage to DNA, particularly due to the lower ionization potential of guanine compared to the other nucleobases, sugars, and phosphate groups that are constituents of DNA. This study utilizes femtosecond optical pump-probe spectroscopy to observe the ultrafast vibrational wave packet dynamics of the guanine radical anion launched by photodetachment of the aqueous guanine dianion. The vibrational wave packet motion is resolved into 11 vibrational modes along which structural reorganization occurs upon photodetachment. These vibrational modes are assigned with the aid of density functional theory (DFT) calculations. Our work sheds light on the ultrafast vibrational dynamics following the ionization of nucleobases in an aqueous medium. Ministry of Education (MOE) Submitted/Accepted version We acknowledge financial support from the Ministry of Education, Singapore (RG1/22 and MOET2EP50221-0004). 2024-04-07T11:39:33Z 2024-04-07T11:39:33Z 2024 Journal Article Ling, C. C. H., Chan, W. X., Siow, J. X. & Loh, Z. (2024). Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment. Journal of Physical Chemistry A, 128(3), 626-635. https://dx.doi.org/10.1021/acs.jpca.3c08232 1089-5639 https://hdl.handle.net/10356/174680 10.1021/acs.jpca.3c08232 38207335 2-s2.0-85182550859 https://api.elsevier.com/content/abstract/scopus_id/85182550859 3 128 626 635 en RG1/22 MOET2EP50221-0004 Journal of Physical Chemistry A © 2024 American Chemical Society. All rights reserved. This article may be downloaded for personal use only. Any other use requires prior permission of the copyright holder. The Version of Record is available online at http://doi.org/10.1021/acs.jpca.3c08232. application/pdf |
| spellingShingle | Chemistry Biomolecules Density functional theory Ling, Christine Chun Hui Chan, Wei Xin Siow, Jing Xuan Loh, Zhi-Heng Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment |
| title | Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment |
| title_full | Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment |
| title_fullStr | Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment |
| title_full_unstemmed | Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment |
| title_short | Ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment |
| title_sort | ultrafast vibrational wave packet dynamics of the aqueous guanine radical anion induced by photodetachment |
| topic | Chemistry Biomolecules Density functional theory |
| url | https://hdl.handle.net/10356/174680 https://api.elsevier.com/content/abstract/scopus_id/85182550859 |
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