Aromatic interactions with heterocycles in water
Published version
Peer-reviewed
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Article
Change log
Authors
Tobajas-Curiel, Gloria https://orcid.org/0000-0003-0022-834X
Sun, Qingqing
Sanders, Jeremy KM https://orcid.org/0000-0002-5143-5210
Ballester, Pablo https://orcid.org/0000-0001-8377-6610
Hunter, Christopher A https://orcid.org/0000-0002-5182-1859
Abstract
jats:pMeasurements using chemical double mutant cycles show that non-covalent interactions between heterocyclic and aromatic rings are more favourable in water than chloroform, provided polar sites are solvated by H-bonded water molecules in the complex.</jats:p>
Description
Acknowledgements: We thank the Herchel Smith fund, Gobierno de España MICINN/AEI/FEDER (PID2020-114020GB-I00 and CEX2019-000925-S), the CERCA Programme/Generalitat de Catalunya, and AGAUR (2017 SGR 1123) for funding.
Keywords
Journal Title
Chemical Science
Conference Name
Journal ISSN
2041-6520
2041-6539
2041-6539
Volume Title
Publisher
Royal Society of Chemistry (RSC)
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Sponsorship
Ministerio de Ciencia e Innovación (Unassigned)
Agencia Estatal de Investigación (Unassigned)
Federación Española de Enfermedades Raras (PID2020-114020GB-I00, CEX2019-000925-S)
Centres de Recerca de Catalunya (Unassigned)
Generalitat de Catalunya (Unassigned)
Agència de Gestió d'Ajuts Universitaris i de Recerca (2017 SGR 1123)
Agencia Estatal de Investigación (Unassigned)
Federación Española de Enfermedades Raras (PID2020-114020GB-I00, CEX2019-000925-S)
Centres de Recerca de Catalunya (Unassigned)
Generalitat de Catalunya (Unassigned)
Agència de Gestió d'Ajuts Universitaris i de Recerca (2017 SGR 1123)