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Título: | Native quercetin as a chloride receptor in an organic solvent |
Autor: | Lamin Abdi Bellau, Mohamed; Bortololini, Olga; Fantin, Giancarlo; Fogagnolo, Marco; Ragno, Daniele; Delso, J. Ignacio CSIC ORCID; Merino, Pedro CSIC ORCID | Palabras clave: | NMR titrations Chloride binding Molecular dynamics (MD) calculations Quantum mechanics density functional theory (QM-DFT) calculations Quercetin |
Fecha de publicación: | 2018 | Editor: | Multidisciplinary Digital Publishing Institute | Citación: | Molecules 23(12): 3366 (2018) | Resumen: | The binding properties of quercetin toward chloride anions were investigated by means of ¹H-NMR, 13C-NMR, and electrospray ionization mass spectrometry (ESI-MS) measurements, as well as computational calculations. The results indicate that quercetin behaves primarily as a ditopic receptor with the binding site of the B ring that exhibits stronger chloride affinity compared to the A ring. However, these sites are stronger receptors than those of catechol and resorcinol because of their conjugation with the carbonyl group located on the C ring. The 1:1 and 1:2 complexation of this flavonoid with Cl- was also supported by ESI mass spectrometry. | Versión del editor: | https://doi.org/10.3390/molecules23123366 | URI: | http://hdl.handle.net/10261/186811 | DOI: | 10.3390/molecules23123366 | E-ISSN: | 1420-3049 |
Aparece en las colecciones: | (ISQCH) Artículos |
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nativesolven.pdf | 925,11 kB | Adobe PDF | Visualizar/Abrir |
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