2026-04-28T23:40:38Zhttps://uvadoc.uva.es/oai/request

oai:uvadoc.uva.es:10324/815642026-03-20T09:22:18Zcom_10324_1186com_10324_931com_10324_894col_10324_1404

Juárez López, Gabriela Sanz Novo, Miguel Aguado Vesperinas, Raúl Alonso Hernández, José Luis León Ona, Iker Alonso Alonso, Elena Rita 2026-01-14T17:31:16Z 2026-01-14T17:31:16Z 2023 RSC Adv., 2023,13, 212-219 2046-2069 https://uvadoc.uva.es/handle/10324/81564 https://doi.org/10.1039/D2RA07124J 212 13 219 The eight structures of caffeic acid: a jet-cooled laser ablated rotational study Producción Científica This work reports a complete conformational analysis of caffeic acid, an exceptionally versatile pharmacophore, using laser ablation chirped-pulse Fourier transform microwave spectroscopy. The whole conformational space consisting of eight distinct species has been fully deciphered based on the trend of the rotational constants supported by theoretical computations. We show how rotational spectroscopy can be confidently used to distinguish between conformers even when the structural differences are minimal, such as those involved in the conformational panorama of caffeic acid. Additionally, the structural information here provided, such as the planarity observed in all the conformers, could help to elucidate the mechanisms underlying the biological and pharmacological activity of hydroxycinnamic acids. Este trabajo forma parte del proyecto de investigación Nacional "Proyectos de Generación de Conocimiento" PID2019-111396GB-I00 y la Junta de Castilla y León regional VA244P20 application/pdf eng Royal Society of Chemistry info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/3.0/ Attribution-NonCommercial-NoDerivs 3.0 Unported Biomolecules Rotational spectroscopy Molecular Interactions Sugar Gas Phase 23 Química 2210 Química Física 2206.07 Espectroscopia Molecular The eight structures of caffeic acid: a jet-cooled laser ablated rotational study info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion SI