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Registration Number

0225U000209, (0124U005059) , R & D reports

Title

Functionalized fluorescent organogels for detection, accumulation and monitoring of radionuclides and ecotoxic metals

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Синтез флуоресцентних лігандів для модифікації органогелів

Head

Roshal Oleksandr D., Доктор хімічних наук

Registration Date

07-01-2025

Organization

V.N. Karazin Kharkiv National University

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Creation of a new class of sorbents - fluorescent organogels for the concentration of dispersed elements with the aim of using them to assess environmental pollution with trace elements, radionuclides and ecotoxic metals as a result of military operations.

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 The report contains the results of the first stage of the project “Functionalized fluorescent organogels for detection, accumulation and monitoring of radionuclides and ecotoxic metals”. As a result of the first stage of the project, the synthesis and accumulation of flavonols were performed, which can play the role of metallofluorochrome sensors for metal ions. The following compounds were obtained: 3,3’,4’-trihydroxy-2-phenylchromone, 3,4’-dihydroxy-3’-methoxy-2-phenylchromone, 3,3’-dihydroxy-4’-methoxy-2-phenylchromone and 3-hydroxy-3’,4’-dimethoxy-2-phenylchromone. Physicochemical analysis was carried out to confirm the identity of the structural characteristics of the obtained compounds with previously published literature data. The synthesis of new promising nitrogen-containing fluorophores was also carried out, which, in turn, can be used as starting reagents for the synthesis of nitrogen-containing heterocyclic chromone derivatives. Two types of quantum-chemical simulations were performed: computer simulation of three-dimensional polymer chains and optimization of the structure of complexes with the studied metal ions using different basis sets for f- and d-elements. The use of the new ONIOM approach was tested, which allowed calculations to be carried out by three different quantum-chemical methods for one polymer network before and after complexation. Photometric and radiometric (for measuring the level of β-radiation) equipment was calibrated for the ions of the studied elements. A certificate was obtained confirming the compliance of the obtained data with the necessary metrological criteria - "Certificate of Conformity No. 13.11.2024-1".

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Hladkov Yevhen S.
Demidov Oleksii O.
Krasnopiorova Alla P.
Roshal Oleksandr D.
Chepeleva Liudmyla V.
Yukhno Halyna D.

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2025-01-07