Registration Number
0223U005720,
(0123U103303)
, R & D reports
Title
Creation and characterization of the safety and biological activity of nanosized magnesium oxide compounds.
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Створення та використання QSAR підходів для опису структури отриманих нанорозмірних оксидних сполук магнію. Розробка методів отримання наноматеріалів на основі оксидних сполук магнію. Аналіз отриманих зразків фізичними методами та підтвердження їх розмірних характеристик.
Head
Valivodz Iryna P., Кандидат біологічних наук
Registration Date
29-12-2023
Organization
Physico-Chemical Institute O. Bogatsky National Academy of Sciences of Ukraine
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The purpose of the work is to obtain samples of nanosized magnesium compounds and study the effect of their size on biological properties (anticonvulsant, analgesic, anti-inflammatory), as well as theoretical substantiation and prediction of the activity of magnesium compounds using QSAR modeling. In the course of the work, nanosized oxide compounds of magnesium will be synthesized, their physico-chemical and physical indicators will be determined, the main physical and biological properties will be analyzed and predicted by the methods of computer modeling and QSAR analysis, the toxicity and tolerability will be characterized, and the biologically active effect (analgesic and anticonvulsant). The topic of the work is relevant both from the point of view of fundamental research (methods for obtaining nanoscale magnesium oxide derivatives will be developed, methods of QSAR analysis and prediction of the physico-chemical and biological properties of these compounds will be developed), and applied research (in vivo conditions, the toxicological characteristics of the obtained compounds will be established , a study of pharmacological effectiveness was conducted, the potential possibility of their use as analgesic or anticonvulsant compounds was determined).
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A 1D-QSAR model with appropriate statistical parameters was constructed. As a result of the Y-Scrambling procedure, the following indicators were obtained: R2(scr) = 0,30±0,04 and Q2(scr) = 0,12±0,06. A significant role (65%) is played by the cross-parameters of various pairs of descriptors, which indicates the importance of the interaction effects of various factors that describe nanoparticles. For the 1D-QSAR model for E.coli cells, the total contribution of the parameters of the «liquid drop» is about 25%, from the characteristics of oxides, the main effect on cytotoxicity is given by the charge of the metal ion (more than 50%), the nature of the oxide plays a predominant role in the manifestation of cytotoxicity. Prediction of cytotoxicity against E. Coli bacteria for nanosized magnesium oxide was carried out. At the same time, the radius of individual MgO nanoparticles varied within the limits (from 15 to 150 nm) of the values of the radii of individual nanoparticles of other sample oxides, which were used to build the model, while MgO nanoparticles with a radius of 150 nm do not fall into the scope of the model. Heat treatment of Mg2(OH)2CO3·4H2O was carried out at a temperature of 800°С in air, in vacuum and in argon. Using the IR spectroscopy method, it was established that heat treatment of Mg2(OH)2CO3 at 800°C in an argon atmosphere has the best result of MgO formation, modulation of the spectra of the samples obtained in the studied media is observed, which indicates the nanodispersity of the obtained product.
Product Description
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Babenko Anton V.
Valivodz Iryna P.
Stelmakh Serhii I.
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2023-12-29
