Use of Raman and Raman optical activity to extract atomistic details of saccharides in aqueous solution
Fig 12
Prediction of molar fractions of mixtures of MeGlc:MeGlcNAc.
Summary of calculated molar fractions and estimated errors of mixtures (MeGlc:MeGlcNAc) obtained by the best fitting corresponding experimental Raman/ROA spectra of known composition (black,xMeGlc = 0.00, 0.25, 0.5, 0.75, 1.00) using simulation(red, calculated spectra) or experimental(green, experimental spectra) spectra of pure substances to fit them.