title: Sweet Structural Signatures Unveiled in Ketohexoses.
abstract: The conformational behaviour of naturally occurring ketohexoses has been revealed in a supersonic expansion by Fourier transform microwave spectroscopy coupled with a laser ablation source. Three, two and one conformers of d-tagatose, d-psicose and l-sorbose, respectively, have been identified by their rotational constants extracted from the analysis of the spectra. Singular structural signatures involving the hydroxyl groups OH(1)and OH(2)have been disentangled from the intricate intramolecular hydrogen bond networks stabilising the most abundant conformers. The present results place the old Shallenberger and Kier sweetness theories on a firmer footing.
authors.affiliation: Grupo de Espectroscopía 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.
authors.forename: Celina
authors.initials: C
authors.lastname: Bermúdez
authors.affiliation: Grupo de Espectroscopía 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.
authors.forename: Isabel
authors.initials: I
authors.lastname: Peña
authors.affiliation: Grupo de Espectroscopía 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.
authors.forename: Santiago
authors.initials: S
authors.lastname: Mata
authors.affiliation: Grupo de Espectroscopía 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.
authors.forename: José L
authors.initials: JL
authors.lastname: Alonso
mesh_terms: D005583:Fourier Analysis; D005632:Fructose / Q000737:chemistry; D006601:Hexoses / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D013013:Sorbose / Q000737:chemistry
chemical_list: D006601:Hexoses; C003243:psicose; D005632:Fructose; D013013:Sorbose; C030192:tagatose
keywords: conformational analysis; hydrogen bonding; laser ablation; microwave spectroscopy; sugars