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

https://doi.org/10.37493/2307-910X.2025.1.10

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.

About the Authors

V. V. Sadovoy
Belgorod University of Cooperation, Economics and Law, Stavropol Institute of Cooperation (branch)
Russian Federation

Vladimir V. Sadovoy, Dr. Sci. (Techn.), Professor

Department of Commodity Science and Public Catering Technology

Stavropol

tel.: +79188639013



T. V. Shchedrina
North-Caucasus Federal University, Pyatigorsk Institute (branch)
Russian Federation

Tatiana V. Shchedrina, Cand. Sci. (Techn.), Associate Professor

Department of Food Technology and Commodity Science

Pyatigorsk

tel.: +789283730813



A. S. Khamitsaeva
Gorsk State Agrarian University
Russian Federation

Alla S. Khamitsaeva, Dr. Sci. (Techn.), Professor

Department of Food Technology

Vladikavkaz

tel.: +79034833663



I. A. Trubina
Stavropol State Agrarian University
Russian Federation

Irina A. Trubina, Cand. Sci. (Techn.), Associate Professor

Department of Production and Processing of Agricultural Products

Stavropol

tel.: +79624419174



References

1. Varlamov VP, Ilyina AV, Shagdarova BT, Lunkov AP, et al. Chitin/chitosan and its derivatives: fundamental and applied aspects. Successes of biological chemistry. 2020;60:317-368. (In Russ.).

2. Wasko A, Bulak P, Polak-Berecka M, Nowak K, et al. The first report of the physicochemical structure of chitin isolated from Hermetia illucens. International Journal of Biological Macromolecules. 2016;92:316-320.

3. Khayrova A, Lopatin S, Varlamov V. Black Soldier Fly Hermetia illucens as a novel source of chitin and chitosan. International Journal of Science. 2019;8:81-86.

4. Chitin and chitosan: production, properties and substitution. Ed. by Scriabin KG, Vihoreva GA, Varlamov VP. Moscow: Nauka; 2002. 368 p. (In Russ.).

5. Aktuganov GE, Galimzyanova NF, Gilvanova EA, Kuzmina LYu, et al. Characterization of chitinase from an alkaliphilic strain Bacillus mannanilyticus IB-OR17 B1. Prikladnaya biokhimiya i mikrobiologiya = Applied Biochemistry and Microbiology. 2018;54:506-512. (In Russ.).

6. Annu AS, Ahmed S, Ikram S. Chitin and chitosan: history, composition and properties. Chitosan. Hoboken, NJ, USA: John Wiley & Sons, Inc.; 2017. P. 1-24.

7. Vikhoreva GA, Gal'braikh LS, Ovsepyan AM, Panov VP. Structure and acid-base properties of chitozan carboxymethyl ether. Polymer Science U.S.S.R. 1989;31(5):1101-1106, doi: 10.1016/0032-3950(89)90052-X

8. Vakh C, Tobiszewski M. Greenness assessment of analytical methods used for antibiotic residues determination in food samples. TrAC Trends in Analytical Chemistry. 2023;166:117162. doi: 10.1016/j.trac.2023.117162.

9. Shepilo EA. Development of technology of boiled sausage products using hydrocolloids with modified functional properties : dissertation of cand. techn. sciences: spec. 05.18.04. Stavropol; 2005. 159 p. (In Russ.).

10. Kurkina EA, Sadovoy VV. Prospects for the use of chitosan in the production of meat products. Myasnaya industriya = Meat industry. 2016;(6):36. (In Russ.).

11. Sadovoy VV. Optimization of the composition of functional protein-carbohydrate food products. Bulletin of the North Caucasus State Technical University. 2005;1:91-93.

12. Drozdova MG, Volkova MA, Demina TS, Maslova MV. Macroporous biodegradable matrix based on chitosan and hyaluronic acid for tissue engineering. Izvestia Ufimskogo Nauchnogo Tsentra RAN (Proceedings of the RAS Ufa Scientific Centre). 2016;3(1):33-35. (In Russ.).

13. Chitin and chitosan: production, properties and substitution. Ed. by Scriabin KG, Vihoreva GA, Varlamov VP. Moscow: Nauka; 2002. 368 pp. (In Russ.).

14. Marsili M. Chemistry, computers, and the mind european journal of organic chemistry. 2020;2020(32):5036-5043. doi: 10.1002/ejoc.202000480

15. Nein YuI, Ivantsova MN. Computer representation of chemical information: a textbook; edited by M. F. Kosterina; Ministry of Science and Higher Education of the Russian Federation, Ural Federal University. Yekaterinburg: Publishing House of the Ural Universityta; 2020. 142 p. (In Russ.).

16. Semenova AA. Nutritional and biological value of whey. Aktual'nye issledovaniya = Current research. 2023;1(131):10-12. Available from: https://apni.ru/article/5312-pishchevaya-i-biologicheskaya-tsennost-moloch [Accessed 1 March 2025]. (In Russ.).

17. Semenova AA. Nutritional and biological value of whey. Aktual'nye issledovaniya = Current research. 2023;1(131):10-12. Available from: https://apni.ru/article/5312-pishchevaya-i-biologicheskaya-tsennost-moloch [Accessed 1 March 2025]. (In Russ.).

18. Senkevich T, Riedel K-L. Whey, processing and use in the agro-industrial complex: translated from German NA Epstein-M.: Agropromizdat; 2020. (In Russ.).

19. Makarenko VV. Secondary dairy raw materials - one of the promising directions for the development of the dairy industry on an innovative basis. Mezhdunarodnyi tekhniko-ekonomicheskii zhurnal = International technical and economic journal. 2014;(5):7-20. (In Russ.).

20. Don't pour it out – recycle it! How to solve the problem of whey and make money on it. Available from: https://svoefermerstvo.ru/svoemedia/articles/ne-vylivaj-pererabotaj-kak-reshit-problemu-molochnoj-syvorotki-i-zarabotat-na-nej [Accessed 1 March 2025]. (In Russ.).

21. Krasnikova LV, Zhukova AD. Study of features of probiotic cultures fermentation mixture of milk and serum containing extracts of berries. Series Processes and Food Production Equipment. 2014;(4):87-95. (In Russ.).


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For citations:


Sadovoy V.V., Shchedrina T.V., Khamitsaeva A.S., Trubina I.A. Computer simulation of chitosan solvation in water and solutions with reduced active acidity. Modern Science and Innovations. 2025;(1):126-134. https://doi.org/10.37493/2307-910X.2025.1.10

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