Simulation adsorption characteristics of fullerene dispersions
O.A. Dyudyun1, A.A. Komarova1, K.S. Elbekyan1, G.D. Dyudyun2
1 Stavropol State Medical University
2 North-Caucasian Federal University
DOI: 10.26456/pcascnn/2025.17.386
Original article
Abstract: Mechanisms of action of fullerenes on biological systems are not yet fully understood. Fullerenes can be modified to increase their efficiency and safety in medicine and drug delivery. Various ligands can be attached to them increasing their selectivity to certain types of cells or tissues. In this work, computer 3D modeling (ArgusLab 4.0.1) of colloidal suspensions and aqueous dispersions of fullerenes obtained by ultrasonic dispersion of compositions based on C60, vegetable oil (corn) and polyvinyl alcohol is carried out. The hydrodynamic radius of particles was measured on a Photocor Compact-Z particle size analyzer. The structure of the compounds is confirmed by spectrophotometry (UNICO 2100) and scanning electron microscopy (MIRA-LMH microscope from Tescan). The studies predicted that fullerene C60 can act as an effective inhibitor of leukotriene receptors in living systems. Leukotrienes are a group of biologically active substances, derivatives of arachidonic acid, which play an important role in the development of inflammation and allergic reactions, especially in bronchial asthma. Three-dimensional structures of the main types of leukotrienes and their molecular complexes with fullerene C60 were optimized. Analysis of the adsorption properties of fullerene derivatives opens up prospects for the creation of new biologically active compounds capable of specifically blocking leukotriene receptors and providing a therapeutic effect without the use of hormonal drugs.
Keywords: colloidal solutions of fullerenes, fullerene dispersions, ultrasonic dispersion, physicochemical analysis, 3D simulation, leukotrienes
- Olga A. Dyudyun – Ph. D., Associate Professor, Department of General and Biological Chemistry, Stavropol State Medical University
- Anastasia A. Komarova – Assistant, Department of General and Biological Chemistry, Stavropol State Medical University
- Karina S. Elbekyan – Dr. Sc., Professor, Head of the Department of General and Biological Chemistry, Stavropol State Medical University
- Gleb D. Dyudyun – 4th year student of the Faculty of Mathematics and Computer Sciences named after Professor N.I. Cherviakov, North-Caucasian Federal University
For citation:
Dyudyun O.A., Komarova A.A., Elbekyan K.S., Dyudyun G.D. Modelirovanie adsorbtsionnykh kharakteristik fullerenovykh dispersij [Simulation adsorption characteristics of fullerene dispersions], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2025, issue 17, pp. 386-398. DOI: 10.26456/pcascnn/2025.17.386. ⎘
Full article (in Russian): download PDF file
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