2022
DOI: 10.3389/fbioe.2021.806415
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Theoretical Study of Light-Induced Crosslinking Reaction Between Pyrimidine DNA Bases and Aromatic Amino Acids

Abstract: Low-lying electronic excited states and their relaxation pathways as well as energetics of the crosslinking reaction between uracil as a model system for pyrimidine-type building blocks of DNA and RNA and benzene as a model system for aromatic groups of tyrosine (Tyr) and phenylalanine (Phe) amino acids have been studied in the framework of density functional theory. The equilibrium geometries of the ground and electronic excited states as well as the crossing points between the potential energy surfaces of th… Show more

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Cited by 3 publications
(3 citation statements)
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“…In our previous study, 64 it was proved that not only monomers can show exclusively CI-type geometric deformations ( e.g. , half-boat-like distortion of the benzene ring), but also CI-type configurations can be formed by involving two molecules.…”
Section: Resultsmentioning
confidence: 99%
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“…In our previous study, 64 it was proved that not only monomers can show exclusively CI-type geometric deformations ( e.g. , half-boat-like distortion of the benzene ring), but also CI-type configurations can be formed by involving two molecules.…”
Section: Resultsmentioning
confidence: 99%
“…In our previous study 62 , it was proved that not only monomers can show exclusively CI-type geometric deformations (e.g., half-boat-like distortion of the benzene ring), but also CI-type congurations can be formed by involving two molecules. In the latter case, both molecules present signicant geometric distortions and new, weaker covalent bonds may be formed between the atoms of the two molecules.…”
Section: Conical Intersection In the Catechol Dimersmentioning
confidence: 98%
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