Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico Uva, Universidad de Valladolid, Paseo de Belén 5, 47011, Valladolid, Spain.
ChemistryOpen. 2024 Nov;13(11):e202400159. doi: 10.1002/open.202400159. Epub 2024 Jul 25.
According to old theories of sweetness, the perception of sweet substances is closely linked to the arrangement of atoms within them. To assess the validity of these theories, we conducted an analysis of the structure of the artificial sweetener dulcin for the first time, utilizing microwave spectroscopy and a laser ablation source. These techniques have enabled the identification of two conformers, which are stabilized by an intramolecular hydrogen bond between the amino group and the phenyl ring. The observed conformations were examined in light of the Shallenberger-Acree-Kier molecular theory of sweet taste, and they align with the hypothesized criteria. Furthermore, the study illustrates how conformational relaxation can alter the equilibrium conformational distribution, resulting in the absence of certain conformers in the conformational landscape.
根据旧的甜味理论，对甜味物质的感知与它们内部原子的排列密切相关。为了评估这些理论的有效性，我们首次利用微波光谱学和激光烧蚀源对人工甜味剂 dulcin 的结构进行了分析。这些技术使我们能够识别两种构象，它们通过氨基和苯环之间的分子内氢键稳定。根据 Shallenberger-Acree-Kier 甜味分子理论对观察到的构象进行了检验，它们符合假设的标准。此外，该研究还说明了构象弛豫如何改变平衡构象分布，从而导致某些构象在构象景观中不存在。
