Computer simulation of chitosan solvation in water and solutions with reduced active acidity

The molecular properties of fragments of molecules of natural chitosan and with protons attached to nitrogen have been studied using computer chemistry. The block of periodic boundary conditions in the HyperChem application was used to simulate the dissolution of chitosan in water and a solution with an acidity of less than 7 (protonated chitosan). The possibility of formation of mesh gels in an acidic environment has been revealed. The theoretical results obtained were confirmed by the study of chitosan solutions in whey. It was found that when chitosan is added to the subsurface serum, viscous solutions are formed and the value of active acidity increases, which opens up the possibility of using chitosan and whey for various types of food products.

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Publication Details

Journal
Sovremennaya nauka i innovatsii
Published
2025-01-01
DOI
https://doi.org/10.37493/2307-910x.2025.1.10
Primary Topic
Biopolymer Synthesis and Applications
Type
article
Field-Weighted Citation Impact
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article

Computer simulation of chitosan solvation in water and solutions with reduced active acidity

A. S. Khamitsaeva, Vladimir Sadovoy, T. V. Shchedrina, I. А. Trubina
Sovremennaya nauka i innovatsii
Biopolymer Synthesis and Applications
article

Computer simulation of chitosan solvation in water and solutions with reduced active acidity

A. S. Khamitsaeva, Vladimir Sadovoy, T. V. Shchedrina, I. А. Trubina
article en

Abstract

The molecular properties of fragments of molecules of natural chitosan and with protons attached to nitrogen have been studied using computer chemistry. The block of periodic boundary conditions in the HyperChem application was used to simulate the dissolution of chitosan in water and a solution with an acidity of less than 7 (protonated chitosan). The possibility of formation of mesh gels in an acidic environment has been revealed. The theoretical results obtained were confirmed by the study of chitosan solutions in whey. It was found that when chitosan is added to the subsurface serum, viscous solutions are formed and the value of active acidity increases, which opens up the possibility of using chitosan and whey for various types of food products.

Sovremennaya nauka i innovatsii(1 (49))
Openalex Percentile: Top 88%
Biopolymer Synthesis and Applications
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