Exploring Terahertz Spectral Characteristics of L-sorbose and D-melibiose in Solid and Liquid States (data)

Saccharides are essential organic compounds that perform critical functions in sustaining life processes. As biomolecules, their vibrational frequencies predominantly fall in the terahertz (THz) range, making them amenable to analysis using THz techniques. This study selected L-sorbose and D-melibiose as representative examples of monosaccharides and polysaccharides, respectively, to decipher saccharide synthesis and degradation mechanisms during metabolic processes in living organisms. The spectral properties of these saccharides were measured using a THz time-domain spectroscopy (THz-TDS) system covering a frequency range of 0.1–2.0 THz, and their crystal structures were simulated using density functional theory (DFT). The experimental results demonstrated significant agreement with the simulation findings. In addition, the spectral properties of the two saccharides in solution were determined using microfluidic chip technology, thereby facilitating a comparison between the solid and aqueous states. We found that the absorption band changed in two states. The results demonstrate that the intramolecular and intermolecular interactions of the saccharides were weakened by the presence of water molecules, and the THz absorption spectrum of the same substance solution was found to be correlated with its concentration and temperature.