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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 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. eng info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/4.0/ © 2022 The Authors Attribution-NonCommercial-NoDerivatives 4.0 Internacional Unveiling the shape of N-Acetylgalactosamine: A cancer-associated sugar derivative info:eu-repo/semantics/article