Native Quercetin as a Chloride Receptor in an Organic Solvent

The binding properties of quercetin toward chloride anions were investigated by means of <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, and electrospray ionization mass spectrometry (ESI-MS) measurements, as well as computational calculations. The results indicate that quercetin beha...

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Bibliographic Details
Published in:Molecules
Main Authors: Mohamed Lamin Abdi Bellau, Olga Bortolini, Giancarlo Fantin, Marco Fogagnolo, Daniele Ragno, Ignacio Delso, Pedro Merino
Format: Article
Language:English
Published: MDPI AG 2018-12-01
Subjects:
quercetin
chloride binding
NMR titrations
quantum mechanics density functional theory (QM-DFT) calculations
molecular dynamics (MD) calculations
Online Access:https://www.mdpi.com/1420-3049/23/12/3366
Description
Summary:The binding properties of quercetin toward chloride anions were investigated by means of <sup>1</sup>H-NMR, <sup>13</sup>C-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<sup>&#8722;</sup> was also supported by ESI mass spectrometry.
ISSN:1420-3049

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