2026-04-14T15:32:32Zhttps://uvadoc.uva.es/oai/request

oai:uvadoc.uva.es:10324/557002025-03-04T09:47:53Zcom_10324_55675com_10324_954com_10324_894col_10324_55676

Aguado Vesperinas, Raúl Sanz Novo, Miguel Mata López, Santiago León Ona, Iker Alonso Hernández, José Luis 2022-09-28T08:56:25Z 2022-09-28T08:56:25Z 2022 The Journal of Physical Chemistry A, 2022, vol. 126, n. 42, p. 7621–7626 1089-5639 https://uvadoc.uva.es/handle/10324/55700 10.1021/acs.jpca.2c04595 Producción Científica In the present work, we report the first rotational study of N-acetylgalactosamine, a cancer-associated sugar derivative, by means of high-resolution rotational spectroscopy. Two different conformers have been conclusively characterized using broadband Fourier transform microwave spectroscopy coupled with a laser ablation vaporization system. Additionally, we performed a comprehensive analysis of the intramolecular interactions that govern these structures, which allowed us to both characterize the existence of intramolecular hydrogen bond networks that drive the intrinsic conformation panorama of N-acetylgalactosamine and further rationalize the biological role of this aminosugar derivative as part of the Tn antigen. Ministerio de Ciencia, Innovación y Universidades (project PID2019-111396GB-I00) Junta de Castilla y León (project VA244P20) European Union’s Seventh Framework Programme (FP/2007-2013)/ERC-2013-SyG (grant 610256 NANOCOSMOS) application/pdf eng American Chemical Society info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/4.0/ © 2022 The Authors Attribution-NonCommercial-NoDerivatives 4.0 Internacional Chemical structure Estructura química Hydroxyls Hidroxilos Molecular structure Estructura molecular Noncovalent interactions Interacciones no covalentes Unveiling the shape of N-Acetylgalactosamine: A cancer-associated sugar derivative info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion https://pubs.acs.org/doi/full/10.1021/acs.jpca.2c04595 SI