ArticleThe journal of physical chemistry. A2023
Theoretical Insights into the Ultrafast Deactivation Mechanism and Photostability of a Natural Sunscreen System: Mycosporine Glycine.
Article in The journal of physical chemistry. A, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Relaxation Dynamics in Dihydroxychalcones: Insights from Ultrafast Spectroscopy and Quantum Computations.ACS physical chemistry Au · 2025Article
- "Button-on-a-String" Mechanism in Water, the Ultrafast UV-to-Heat Conversion by Mycosporine-like Amino Acid Porphyra-334 of Natural Sunscreen Compound.ACS physical chemistry Au · 2025Article
- A Multipronged Bioengineering, Spectroscopic and Theoretical Approach in Unravelling the Excited-State Dynamics of the Archetype Mycosporine Amino Acid.The journal of physical chemistry letters · 2024Article
- Photophysical properties of Pt(ii) complexes based on the benzoquinoline (bzq) ligand with OLED implication: a theoretical study.RSC advances · 2024Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this work, different levels of quantum computational models such as MP2, ADC(2), CASSCF/CASPT2, and DFT/TD-DFT have been employed to investigate the photophysics and photostability of a mycosporine system, mycosporine glycine (MyG). First of all, a molecular mechanics approach based on the Monte Carlo conformational search has been employed to investigate the possible geometry structures of MyG. Then, comprehensive studies on the electronic excited states and deactivation mechanism have been conducted on the most stable conformer. The first optically bright electronic transition responsible for the UV absorption of MyG has been assigned as the S
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Registered trials
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