@article{41a1b1d01d6a46d6b687a3d88791f305,
title = "Contrasting pKa Shifts in Cucurbit[7]uril Host-Guest Complexes Governed by an Interplay of Hydrophobic Effects and Electrostatic Interactions",
abstract = "Cucurbit[7]uril inclusion complexes with guests bearing dimethylamino groups show the expected upward pKa shifts, whereas their diethylamino counterparts display a decrease in pKa due to the preferential stabilization of the unprotonated form. These results identify the diethylamino group as the substituent of choice to avoid receptor-assisted protonation of guest molecules and present new evidence for the role of the hydrophobic effect as a driving force in cucurbituril complexation.",
keywords = " Calorimetry, Enthalpy, Entropy, Equilibrium constant, Free energy, Hydrogen, Macrocyclic compounds, Molecular recognition, Spectra",
author = "Nuno Bas{\'i}lio and Sandra Gago and Parola, {A. Jorge} and Fernando Pina",
note = "sem pdf conforme despacho. FCT/MEC (UID/QUI/50006/2013) and co-financed by the ERDF under the PT2020 Partnership Agreement (POCI-01-0145-FEDER-007265). FCT/MEC is also acknowledged through the National Portuguese NMR Network RECI/BBB-BQB/0230/2012, and Projects PTDC/QEQ-QFI/1971/2014 and POCI-01-0145-FEDER-016387 {"}SunStorage. Harvesting and storage of solar energy{"}, funded by the European Regional Development Fund (ERDF), through COMPETE 2020. Operational Programme for Competitiveness and Internationalisation (OPCI). N.B. gratefully acknowledges a postdoctoral grant from FCT/MEC (SFRH/BPD/84805/2012)",
year = "2017",
month = jan,
day = "31",
doi = "10.1021/acsomega.6b00427",
language = "English",
volume = "2",
pages = "70--75",
journal = "ACS Omega",
issn = "2470-1343",
publisher = "ACS - American Chemical Society",
number = "1",
}