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Aromatic interactions with heterocycles in water

Published version
Peer-reviewed

Repository DOI


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Authors

Tobajas-Curiel, Gloria  ORCID logo  https://orcid.org/0000-0003-0022-834X
Sun, Qingqing 
Hunter, Christopher A  ORCID logo  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

Volume Title

Publisher

Royal Society of Chemistry (RSC)
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)