研究目的
Investigating the structural dynamics, intramolecular hydrogen bonds, and hydration of saccharides in aqueous solution using VUVCD spectroscopy combined with theoretical calculations.
研究成果
VUVCD spectroscopy using synchrotron radiation provides novel detailed information about the structures of saccharides in solution, including structural dynamics, intramolecular hydrogen bonds, and hydration. This method, combined with theoretical calculations, expands the applicability of CD spectroscopy in structural glycobiology.
研究不足
Technical difficulties associated with the light source and optical device for conventional CD spectroscopy in the VUV region. The complexity of equilibrium structures in solution complicates the interpretation of spectra.
1：Experimental Design and Method Selection:
Utilized VUVCD spectroscopy with synchrotron radiation to extend the spectral range below 190 nm for structural analysis of saccharides. Theoretical calculations (TDDFT and MD methods) were employed to interpret the spectra.
2：Sample Selection and Data Sources:
Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and glycoproteins were analyzed in aqueous solution.
3：List of Experimental Equipment and Materials:
Synchrotron radiation source, VUVCD spectrometer, and computational software (Gaussian 09, AMBER).
4：Experimental Procedures and Operational Workflow:
Measured VUVCD spectra of saccharides in solution, performed theoretical calculations to simulate spectra, and compared experimental and theoretical results to deduce structural information.
5：Data Analysis Methods:
Deconvolution of spectra into component spectra, comparison with theoretical calculations, and analysis of rotational strength and CD spectrum using TDDFT.
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