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

Unveiling the shape of N-Acetylgalactosamine: A cancer-associated sugar derivative Aguado Vesperinas, Raúl Sanz Novo, Miguel Mata López, Santiago León Ona, Iker Alonso Hernández, José Luis 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. 2022-09-28T08:56:25Z 2022-09-28T08:56:25Z 2022 info:eu-repo/semantics/article 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 eng https://pubs.acs.org/doi/full/10.1021/acs.jpca.2c04595 info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/4.0/ © 2022 The Authors Attribution-NonCommercial-NoDerivatives 4.0 Internacional American Chemical Society SI