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Topological modeling of the reactive capacity and biological activity of some amino-polysaccharides

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Abstract

The work is devoted to a microscopic analysis of the reactive capacity of chitin. An algorithm for modeling the deacetylation reaction in a monomeric unit of chitin is described. The reaction coordinate and the potential energy surface topography are determined taking into account the electron-vibrational interaction and low-symmetry perturbations within Jahn-Teller theory. Based on this algorithm, the topological modeling of the deacetylation process is performed for the first time and a mechanism of the biological activity of chitosan is proposed.

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Authors and Affiliations

  1. Institute of Polymer Chemistry and Physics, Academy of Sciences of the Republic of Uzbekistan, Tashkent, Uzbekistan

    B. Askarov, B. K. Oksengendler, N. N. Turaeva & S. Sh. Rashidova

Authors
  1. B. Askarov
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  2. B. K. Oksengendler
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  3. N. N. Turaeva
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  4. S. Sh. Rashidova
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Corresponding author

Correspondence to B. Askarov.

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Original Russian Text Copyright © 2011 by B. Askarov, B. K. Oksengendler, N. N. Turaeva, and S. Sh. Rashidova

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Translated from Zhurnal Strukturnoi Khimii, Vol. 52, No. 4, pp. 798–801, July–August, 2011.

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Askarov, B., Oksengendler, B.K., Turaeva, N.N. et al. Topological modeling of the reactive capacity and biological activity of some amino-polysaccharides. J Struct Chem 52, 777–780 (2011). https://doi.org/10.1134/S0022476611040202

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  • DOI: https://doi.org/10.1134/S0022476611040202

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