Matsuo, Koichi; Gekko, Kunihiko published the artcile< Vacuum Ultraviolet Electronic Circular Dichroism Study of D-Glucose in Aqueous Solution>, Application In Synthesis of 492-62-6, the main research area is glucose aqueous solution vacuum UV CD model.
Vacuum UV (VUV) electronic CD (ECD) spectra of D-glucose, α-D-glucopyranose, and β-D-glucopyranose were measured in aqueous solution down to 163 nm using a synchrotron radiation VUV-ECD spectrophotometer and theor. analyzed using mol. dynamics (MD) simulations with explicit water mols. and using time-dependent d. functional theory (TDDFT). The theor. calculated spectra reproduced the exptl. observed spectra well, revealing that VUV-ECD exhibited unique spectra depending on the α-anomer and β-anomer configurations of the hydroxyl group at C-1 and the three gauche (G) and trans (T) rotamer conformations (GT, GG, and TG) of the hydroxymethyl group at C-5. These unique spectra could be ascribed to differences in the patterns of intramol. hydrogen bonds around the hydroxymethyl group at C-5 for the three rotamers and around the hydroxyl group at C-1 for the two anomers. The strengths of these intramol. interactions increased as the degree of hydration around the corresponding chromophores decreased, suggesting that hydration is a key factor for stabilizing rotamer and anomer structures. The rotamerization and anomerization mechanisms are further discussed in terms of differences in the intramol. interactions and the degree of hydration among the rotamer and anomer structures. The findings demonstrate that VUV-ECD spectroscopy is a useful tool for characterizing the equilibrium structures of monosaccharides.
Journal of Physical Chemistry A published new progress about Circular dichroism. 492-62-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Application In Synthesis of 492-62-6.
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