Abstract
Arabinogalactan (AG) and sulphated arabinogalactans which are products of chemical modification of arabinogalactan polysaccharide with anticoagulant properties were studied by experimental infrared (IR) spectroscopy combined with density functional theory simulations. Mutual analysis of experimental and theoretical IR frequencies indicates that the discrepancies between experiment and theory is caused by the influence of –OH groups, which led to the energy shift and broadening of the absorption IR bands. It was found that theoretical and experimental spectra correspond well within the 3000–4000 cm−1 spectral region. Addition of sulphur group in AG structure causes hydroxyl group to become accessible for further sulphation. The difference between experimental and theoretical IR frequencies of sulphated AG derivatives is greater than that of the parent arabinogalactan due to the increase in the number of possible isomers and conformers.
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Acknowledgements
The reported work was funded by RFBR and the government of Krasnoyarsk region according to the research project № 18-43-242003. The study was carried out using equipment of the Krasnoyarsk Regional Center of Research Equipment, Federal Research Center “Krasnoyarsk Science Center SB RAS”. Publication was also partially supported by Project FSWM-2020-0033 of Russian Ministry of Science and Education.The authors are grateful to I.V. Korolkova for IR-spectra.
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Kazachenko, A.S., Tomilin, F.N., Pozdnyakova, A.A. et al. Theoretical DFT interpretation of infrared spectra of biologically active arabinogalactan sulphated derivatives. Chem. Pap. 74, 4103–4113 (2020). https://doi.org/10.1007/s11696-020-01220-3
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DOI: https://doi.org/10.1007/s11696-020-01220-3