Unique Structural Relaxations and Molecular Conformations of Porphyra-334 at the Excited State
- Resource Type
- Authors
- Katsuyuki Nobusada; Kenichi Koizumi; Takao Kobayashi; Mauro Boero; Hirokazu Hori; Shinichiro Nakamura; Taku Misonou; Makoto Hatakeyama
- Source
- Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2019, 123 (36), pp.7649-7656. ⟨10.1021/acs.jpcb.9b03744⟩
- Subject
- [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
- Language
- ISSN
- 1520-5207
1520-6106
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