Next Article in Journal
Probing the Structural Determinants of Amino Acid Recognition: X-Ray Studies of Crystalline Ditopic Host-Guest Complexes of the Positively Charged Amino Acids, Arg, Lys, and His with a Cavitand Molecule
Previous Article in Journal
Identification of Pinocembrin as an Anti-Glycation Agent and α-Glucosidase Inhibitor from Fingerroot (Boesenbergia rotunda): The Tentative Structure–Activity Relationship towards MG-Trapping Activity
Article

Native Quercetin as a Chloride Receptor in an Organic Solvent

1
Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Ferrara, Via Luigi Borsari 46, I-44121 Ferrara, Italy
2
Instituto de Sintesis Quimica y Catalisis Homogenea (ISQCH). Universidad de Zaragoza-CSIC, 50009 Zaragoza, Spain
3
Instituto de Biocomputación y Física de Sistemas Complejos (BIFI), Universidad de Zaragoza, 50009 Zaragoza, Spain
*
Authors to whom correspondence should be addressed.
Molecules 2018, 23(12), 3366; https://doi.org/10.3390/molecules23123366
Received: 23 November 2018 / Revised: 10 December 2018 / Accepted: 18 December 2018 / Published: 19 December 2018
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. View Full-Text
Keywords: quercetin; chloride binding; NMR titrations; quantum mechanics density functional theory (QM-DFT) calculations; molecular dynamics (MD) calculations quercetin; chloride binding; NMR titrations; quantum mechanics density functional theory (QM-DFT) calculations; molecular dynamics (MD) calculations
Show Figures

Graphical abstract

MDPI and ACS Style

Abdi Bellau, M.L.; Bortolini, O.; Fantin, G.; Fogagnolo, M.; Ragno, D.; Delso, I.; Merino, P. Native Quercetin as a Chloride Receptor in an Organic Solvent. Molecules 2018, 23, 3366. https://doi.org/10.3390/molecules23123366

AMA Style

Abdi Bellau ML, Bortolini O, Fantin G, Fogagnolo M, Ragno D, Delso I, Merino P. Native Quercetin as a Chloride Receptor in an Organic Solvent. Molecules. 2018; 23(12):3366. https://doi.org/10.3390/molecules23123366

Chicago/Turabian Style

Abdi Bellau, Mohamed L., Olga Bortolini, Giancarlo Fantin, Marco Fogagnolo, Daniele Ragno, Ignacio Delso, and Pedro Merino. 2018. "Native Quercetin as a Chloride Receptor in an Organic Solvent" Molecules 23, no. 12: 3366. https://doi.org/10.3390/molecules23123366

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop