Speciation Studies of Bifunctional 3-Hydroxy-4-Pyridinone Ligands in the Presence of Zn2+ at Different Ionic Strengths and Temperatures.
Anna Irto,Paola Cardiano,Salvatore Cataldo,Karam Chand,Rosalia Maria Cigala,Francesco Crea,Concetta De Stefano,Giuseppe Gattuso,Nicola Muratore,Alberto Pettignano,Silvio Sammartano,M. Amélia Santos +11 more
TLDR
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 and the determination of protonation and stability constants showed accordance with the data obtained from the different analytical techniques used.Abstract:
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–Huckel model, the classical specific ion interaction theory, and the van’t Hoff equations, respectively.read more
Citations
More filters
Journal ArticleDOI
Bioactive Phenolic Compounds From Agri-Food Wastes: An Update on Green and Sustainable Extraction Methodologies.
Lucia Panzella,Federica Moccia,Rita Nasti,Stefania Marzorati,Luisella Verotta,Alessandra Napolitano +5 more
TL;DR: This review addresses the most promising and innovative methodologies for the recovery of functional phenolic compounds from waste materials that have appeared in the recent literature, and extraction procedures based on the use of green technologies as well as of green Solvents such as deep eutectic solvents are surveyed.
Journal ArticleDOI
Engineering microrobots for targeted cancer therapies from a medical perspective
TL;DR: How different microrobots, ranging from tailor-made motile bacteria and tiny bubble-propelled microengines to hybrid spermbots, can be engineered to integrate sophisticated features optimised for precision-targeting of a wide range of cancers are highlighted.
Journal ArticleDOI
Mechanochemistry: Toward green synthesis of metal–organic frameworks
TL;DR: A review of the recent developments, challenges and perspectives of green synthesis of diverse MOF structures using mechanochemistry can be found in this paper, where some achievements in green applications are also summarized.
Journal ArticleDOI
Avocado fruit and by-products as potential sources of bioactive compounds
Norma Julieta Salazar-López,J. Abraham Domínguez-Avila,Elhadi M. Yahia,Beatriz Haydee Belmonte-Herrera,Abraham Wall-Medrano,Efigenia Montalvo-González,Gustavo A. González-Aguilar +6 more
TL;DR: The phytochemical diversity of avocado fruit and its by-products make them potential sources of nutraceutical compounds, from which functional foods can be obtained, as well as other applications in food, health, pigment, and material sectors, among others.
References
More filters
Journal ArticleDOI
Investigation of equilibria in solution. Determination of equilibrium constants with the HYPERQUAD suite of programs.
TL;DR: A new suite of 10 programs concerned with equilibrium constants and solution equilibria is described, which includes data preparation programs, pretreatment programs, equilibrium constant refinement and post-run analysis.
Journal ArticleDOI
Advances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao,Laszlo Fusti Molnar,Yousung Jung,Jörg Kussmann,Christian Ochsenfeld,Shawn T. Brown,Andrew T. B. Gilbert,Lyudmila V. Slipchenko,Sergey V. Levchenko,Darragh P. O’Neill,Robert A. DiStasio,Rohini C. Lochan,Tao Wang,Gregory J. O. Beran,Nicholas A. Besley,John M. Herbert,Ching Yeh Lin,Troy Van Voorhis,Siu Hung Chien,Alexander J. Sodt,Ryan P. Steele,Vitaly A. Rassolov,Paul E. Maslen,Prakashan P. Korambath,Ross D. Adamson,Brian Austin,Jon Baker,Edward F. C. Byrd,Holger Dachsel,Robert J. Doerksen,Andreas Dreuw,Barry D. Dunietz,Anthony D. Dutoi,Thomas R. Furlani,Steven R. Gwaltney,Andreas Heyden,So Hirata,Chao-Ping Hsu,Gary S. Kedziora,Rustam Z. Khalliulin,Phil Klunzinger,Aaron M. Lee,Michael S. Lee,WanZhen Liang,Itay Lotan,Nikhil Nair,Baron Peters,Emil Proynov,Piotr A. Pieniazek,Young Min Rhee,Jim Ritchie,Edina Rosta,C. David Sherrill,Andrew C. Simmonett,Joseph E. Subotnik,H. Lee Woodcock,Weimin Zhang,Alexis T. Bell,Arup K. Chakraborty,Daniel M. Chipman,Frerich J. Keil,Arieh Warshel,Warren J. Hehre,Henry F. Schaefer,Jing Kong,Anna I. Krylov,Peter Gill,Martin Head-Gordon,Martin Head-Gordon +68 more
TL;DR: Specific developments discussed include fast methods for density functional theory calculations, linear scaling evaluation of energies, NMR chemical shifts and electric properties, fast auxiliary basis function methods for correlated energies and gradients, equation-of-motion coupled cluster methods for ground and excited states, geminal wavefunctions, embedding methods and techniques for exploring potential energy surfaces.
Journal ArticleDOI
Ion Suppression in Mass Spectrometry
TL;DR: Options for minimizing or correcting ion suppression are presented, which include enhanced specimen cleanup, chromatographic changes, reagent modifications, and effective internal standardization.
Journal ArticleDOI
Hyperquad simulation and speciation (HySS): a utility program for the investigation of equilibria involving soluble and partially soluble species
TL;DR: Hyperquad simulation and speciation (HySS) as mentioned in this paper is a computer program written for the Windows operating system on personal computers which provides simulating titration curves and a system for providing speciation diagrams.
Journal ArticleDOI
Microbial Iron Compounds
TL;DR: Are there Siderophores in Plants and Animals?