RT info:eu-repo/semantics/article T1 Unveiling the shape of N-Acetylgalactosamine: A cancer-associated sugar derivative A1 Aguado Vesperinas, Raúl A1 Sanz Novo, Miguel A1 Mata, Santiago A1 León Ona, Iker A1 Alonso Hernández, José Luis K1 Chemical structure K1 Estructura química K1 Hydroxyls K1 Hidroxilos K1 Molecular structure K1 Estructura molecular K1 Noncovalent interactions K1 Interacciones no covalentes AB 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. PB American Chemical Society SN 1089-5639 YR 2022 FD 2022 LK https://uvadoc.uva.es/handle/10324/55700 UL https://uvadoc.uva.es/handle/10324/55700 LA eng NO The Journal of Physical Chemistry A, 2022, vol. 126, n. 42, p. 7621–7626 NO Producción Científica DS UVaDOC RD 25-dic-2024