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Open AccessArticle

Speciation Studies of Bifunctional 3-Hydroxy-4-Pyridinone Ligands in the Presence of Zn2+ at Different Ionic Strengths and Temperatures

1
Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche e Ambientali, Università di Messina, Viale F. Stagno d’Alcontres 31, 98166 Messina, Italy
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Dipartimento di Fisica e Chimica Emilio Segrè, ed. 17, Università di Palermo, Viale delle Scienze, I-90128 Palermo, Italy
3
Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovísco Pais 1, 1049-001 Lisboa, Portugal
*
Authors to whom correspondence should be addressed.
Academic Editors: Francesco Crea and Alberto Pettignano
Molecules 2019, 24(22), 4084; https://doi.org/10.3390/molecules24224084
Received: 11 October 2019 / Revised: 6 November 2019 / Accepted: 6 November 2019 / Published: 12 November 2019
The acid–base properties of two bifunctional 3-hydroxy-4-pyridinone ligands and their chelating capacity towards Zn2+, an essential bio-metal cation, were investigated in NaCl aqueous solutions by potentiometric, UV-Vis spectrophotometric, and 1H NMR spectroscopic titrations, carried out at 0.15 ≤ I/mol −1 ≤ 1.00 and 288.15 ≤ T/K ≤ 310.15. A study at I = 0.15 mol L−1 and T = 298.15 K was also performed for other three Zn2+/Lz− systems, with ligands belonging to the same family of compounds. The processing of experimental data allowed the determination of protonation and stability constants, which showed accordance with the data obtained from the different analytical techniques used, and with those reported in the literature for the same class of compounds. ESI-MS spectrometric measurements provided support for the formation of the different Zn2+/ligand species, while computational molecular simulations allowed information to be gained on the metal–ligand coordination. The dependence on ionic strength and the temperature of equilibrium constants were investigated by means of the extended Debye–Hückel model, the classical specific ion interaction theory, and the van’t Hoff equations, respectively. View Full-Text
Keywords: 3-hydroxy-4-pyridinone; speciation; acid–base properties; extended Debye–Hückel; Zn-complexation; specific ion interaction theory; van’t Hoff equation; sequestering ability 3-hydroxy-4-pyridinone; speciation; acid–base properties; extended Debye–Hückel; Zn-complexation; specific ion interaction theory; van’t Hoff equation; sequestering ability
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MDPI and ACS Style

Irto, A.; Cardiano, P.; Cataldo, S.; Chand, K.; Maria Cigala, R.; Crea, F.; De Stefano, C.; Gattuso, G.; Muratore, N.; Pettignano, A.; Sammartano, S.; Amélia Santos, M. Speciation Studies of Bifunctional 3-Hydroxy-4-Pyridinone Ligands in the Presence of Zn2+ at Different Ionic Strengths and Temperatures. Molecules 2019, 24, 4084. https://doi.org/10.3390/molecules24224084

AMA Style

Irto A, Cardiano P, Cataldo S, Chand K, Maria Cigala R, Crea F, De Stefano C, Gattuso G, Muratore N, Pettignano A, Sammartano S, Amélia Santos M. Speciation Studies of Bifunctional 3-Hydroxy-4-Pyridinone Ligands in the Presence of Zn2+ at Different Ionic Strengths and Temperatures. Molecules. 2019; 24(22):4084. https://doi.org/10.3390/molecules24224084

Chicago/Turabian Style

Irto, Anna; Cardiano, Paola; Cataldo, Salvatore; Chand, Karam; Maria Cigala, Rosalia; Crea, Francesco; De Stefano, Concetta; Gattuso, Giuseppe; Muratore, Nicola; Pettignano, Alberto; Sammartano, Silvio; Amélia Santos, M. 2019. "Speciation Studies of Bifunctional 3-Hydroxy-4-Pyridinone Ligands in the Presence of Zn2+ at Different Ionic Strengths and Temperatures" Molecules 24, no. 22: 4084. https://doi.org/10.3390/molecules24224084

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