Unique Structural Relaxations and Molecular Conformations of Porphyra-334 at the Excited State
| Autor: | Katsuyuki Nobusada, Kenichi Koizumi, Takao Kobayashi, Mauro Boero, Hirokazu Hori, Shinichiro Nakamura, Taku Misonou, Makoto Hatakeyama |
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| Přispěvatelé: | RIKEN - Institute of Physical and Chemical Research [Japon] (RIKEN), Université de Strasbourg (UNISTRA), Institute for Molecular Sciences (IMS), Institute for Molecular Sciences |
| Rok vydání: | 2019 |
| Předmět: |
[SDV]Life Sciences [q-bio]
Glycine Molecular Conformation 010402 general chemistry 01 natural sciences Quantum chemistry Molecular conformation Computational chemistry 0103 physical sciences Materials Chemistry [CHIM]Chemical Sciences Physical and Theoretical Chemistry ComputingMilieux_MISCELLANEOUS chemistry.chemical_classification [PHYS]Physics [physics] Aqueous solution 010304 chemical physics Chemistry Cyclohexanones 0104 chemical sciences Surfaces Coatings and Films Amino acid Porphyra-334 Excited state Quantum Theory Hydrophobic and Hydrophilic Interactions |
| Zdroj: | Journal of Physical Chemistry B Journal of Physical Chemistry B, American Chemical Society, 2019, 123 (36), pp.7649-7656. ⟨10.1021/acs.jpcb.9b03744⟩ |
| ISSN: | 1520-5207 1520-6106 |
| Popis: | Quantum chemistry based simulations were used to examine the excited state of porphyra-334, one of the fundamental mycosporine-like amino acids present in a wide variety of aqueous organisms. Our calculations reveal three characteristic aspects of porphyra-334 related to either its ground or excited state. Specifically, (i) the ground state (S |
| Databáze: | OpenAIRE |
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