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Information × Registration Number 0225U002241, (0124U000968) , R & D reports Title Development of economically affordable nanosystems for rapid identification and purification of water from heavy metal ions based on carbon nanoallotropes and amyloids from organic waste. popup.stage_title Створення нанофібрил та нанофільтрів з білків органічних відходів Head Zhytniakivska Olha А., Кандидат фізико-математичних наук Registration Date 25-02-2025 Organization V.N. Karazin Kharkiv National University popup.description1 Contamination of surface waters with heavy metals is a global environmental concern, which has been further emphasized in the context of water pollution in Ukraine caused by Russian invasion. This project seeks to develop efficient, cost-effective optical sensors for the rapid identification of metal ions in water using carbon nanomaterials (including single-walled carbon nanotubes, derivatives of graphene oxide and fullerenes) and nanofibrils derived from proteins extracted from organic waste. In particular, the project includes the valorization of food and industrial waste for the development of effective highly-adsorptive biosensors and water purification systems. Optical sensor systems for identifying metal ions in water will be created through the functionalization and optimization of carbon nanomaterials and nanofibrils with the fluorophores and/or proteins. popup.description2  This project aims to develop efficient and cost-effective nanosystems for the rapid identification and sorption of metal ions in water based on carbon nanoallotropes and/or protein nanofibrils. The feasibility of functionalizing carbon nanomaterials with proteins to create nanocomposite materials for heavy metal removal from contaminated water has been demonstrated. It was found that the size, shape, and surface properties of carbon materials significantly influence the ability of protein-carbon material complexes to interact with various heavy metals. A comprehensive study of the interaction mechanisms between heavy metals and proteins was conducted using molecular docking and molecular dynamics simulations. The most promising systems for further experimental testing were identified. A multi-ligand docking approach was developed to assess the potential for loading protein nanocomposites with multiple imaging agents. A thorough analysis of zinc ferro- and ferricyanides was performed to enable the rational selection or modification of hexacyanoferrates for various applications, with a focus on catalyzing the ring-opening copolymerization of epoxides and CO₂ to reduce environmental impact. Furthermore, a novel multiscale model was developed, integrating molecular dynamics methods and hydrodynamic principles to describe the dynamics of hybrid particles. Product Description popup.authors Lahuta Anna M. Tarabara Uliana К. Farafonov Volodymyr S. popup.nrat_date 2025-02-25 Close