Deciphering the Chemical Basis of Fluorescence of a Selenium-Labeled Uracil Probe when Bound at the Bacterial Ribosomal A-Site
| Autor: | Nicolás Ramos-Berdullas, Pedro A. Sánchez-Murcia, Gustavo Cárdenas, Maximilian F. S. J. Menger |
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| Přispěvatelé: | Theoretical Chemistry |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Fluorophore
Stereochemistry Molecular Conformation 010402 general chemistry 01 natural sciences QM/MM Fluorescence Catalysis antibiotics Selenium chemistry.chemical_compound Moiety Uracil excited states 010405 organic chemistry Organic Chemistry fluorescence probes RNA General Chemistry 0104 chemical sciences A-site chemistry Excited state Ribosomes |
| Zdroj: | Chemistry-A European Journal, 27(15), 4927-4931. Wiley-VCH Verlag GmbH & Co. KGaA |
| ISSN: | 1521-3765 0947-6539 |
| Popis: | We unveil in this work the main factors that govern the turn-on/off fluorescence of a Se-modified uracil probe at the ribosomal RNA A-site. Whereas the constraint into an “in-plane” conformation of the two rings of the fluorophore is the main driver for the observed turn-on fluorescence emission in the presence of the antibiotic paromomycin, the electrostatics of the environment plays a minor role during the emission process. Our computational strategy clearly indicates that, in the absence of paromomycin, the probe prefers conformations that show a dark S1 electronic state with participation of nπ* electronic transition contributions between the selenium atom and the π-system of the uracil moiety. |
| Databáze: | OpenAIRE |
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