Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments
Interest in understanding the photophysics and photochemistry of thiated nucleobases has been awakened because of their possible involvement in primordial RNA or their potential use as photosensitizers in medicinal chemistry. The interpretation of the photodynamics of these systems, conditioned by t...
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| Format: | Article |
| Language: | English |
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MDPI AG
2017-06-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1420-3049/22/6/998 |
| _version_ | 1818422257100259328 |
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| author | Serra Arslancan Lara Martínez-Fernández Inés Corral |
| author_facet | Serra Arslancan Lara Martínez-Fernández Inés Corral |
| author_sort | Serra Arslancan |
| collection | DOAJ |
| description | Interest in understanding the photophysics and photochemistry of thiated nucleobases has been awakened because of their possible involvement in primordial RNA or their potential use as photosensitizers in medicinal chemistry. The interpretation of the photodynamics of these systems, conditioned by their intricate potential energy surfaces, requires the powerful interplay between experimental measurements and state of the art molecular simulations. In this review, we provide an overview on the photophysics of natural nucleobases’ thioanalogs, which covers the last 30 years and both experimental and computational contributions. For all the canonical nucleobase’s thioanalogs, we have compiled the main steady state absorption and emission features and their interpretation in terms of theoretical calculations. Then, we revise the main topographical features, including stationary points and interstate crossings, of their potential energy surfaces based on quantum mechanical calculations and we conclude, by combining the outcome of different spectroscopic techniques and molecular dynamics simulations, with the mechanism by which these nucleobase analogs populate their triplet excited states, which are at the origin of their photosensitizing properties. |
| first_indexed | 2024-12-14T13:23:22Z |
| format | Article |
| id | doaj.art-cd39ecd05c514daf9d244a5392ed6bd3 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-14T13:23:22Z |
| publishDate | 2017-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-cd39ecd05c514daf9d244a5392ed6bd32022-12-21T22:59:53ZengMDPI AGMolecules1420-30492017-06-0122699810.3390/molecules22060998molecules22060998Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved ExperimentsSerra Arslancan0Lara Martínez-Fernández1Inés Corral2Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Madrid 28049, SpainIstituto Biostrutture e Bioimmagini-Consiglio Nazionale delle Ricerche, Via Mezzocannone 16, Napoli I-80134, ItalyDepartamento de Química, Módulo 13, Universidad Autónoma de Madrid, Madrid 28049, SpainInterest in understanding the photophysics and photochemistry of thiated nucleobases has been awakened because of their possible involvement in primordial RNA or their potential use as photosensitizers in medicinal chemistry. The interpretation of the photodynamics of these systems, conditioned by their intricate potential energy surfaces, requires the powerful interplay between experimental measurements and state of the art molecular simulations. In this review, we provide an overview on the photophysics of natural nucleobases’ thioanalogs, which covers the last 30 years and both experimental and computational contributions. For all the canonical nucleobase’s thioanalogs, we have compiled the main steady state absorption and emission features and their interpretation in terms of theoretical calculations. Then, we revise the main topographical features, including stationary points and interstate crossings, of their potential energy surfaces based on quantum mechanical calculations and we conclude, by combining the outcome of different spectroscopic techniques and molecular dynamics simulations, with the mechanism by which these nucleobase analogs populate their triplet excited states, which are at the origin of their photosensitizing properties.http://www.mdpi.com/1420-3049/22/6/998nucleobase derivativesthionationinterstate crossingssinglet oxygenab initio calculationsphotoexcited dynamicstime resolved spectroscopy |
| spellingShingle | Serra Arslancan Lara Martínez-Fernández Inés Corral Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments Molecules nucleobase derivatives thionation interstate crossings singlet oxygen ab initio calculations photoexcited dynamics time resolved spectroscopy |
| title | Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments |
| title_full | Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments |
| title_fullStr | Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments |
| title_full_unstemmed | Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments |
| title_short | Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments |
| title_sort | photophysics and photochemistry of canonical nucleobases thioanalogs from quantum mechanical studies to time resolved experiments |
| topic | nucleobase derivatives thionation interstate crossings singlet oxygen ab initio calculations photoexcited dynamics time resolved spectroscopy |
| url | http://www.mdpi.com/1420-3049/22/6/998 |
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