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Information × Registration Number 0224U000847, 0122U001388 , R & D reports Title Noble metal nanoparticles functionalized with stimuli-responsive ligands and fluorescent dyes for targeted delivery and monitoring popup.stage_title Head Kyrychenko Oleksandr V., Доктор хімічних наук Registration Date 14-01-2024 Organization V.N. Karazin Kharkiv National University popup.description2  The purpose of the research work is the design and synthesis of a series of functionalized fluorescent probes based on 3-hydroxyflavones, their structure establishment, the study of spectral-fluorescence properties, as well as conducting computer simulations of the structure of a gold nanoparticle surface-functionalized with the thiol-containing peptide glutathione. According to the research results: (1) a critical analysis of literary sources was carried out in order to select fluorescent probes with optimal parameters. New derivatives of 3-hydroxyflavone containing heterocyclic radicals in position 4` were synthesized. (2) for the first time, new 3-hydroxyflavone derivatives containing an alkyl anchor group –(CH 2 ) n СН 3 or –(CH 2 ) n СООН with different lengths of the alkyl chain (n=1, 5, 11) in the 4`-aryl radical position were synthesized. The spectral-fluorescence properties of b-c probes in solvents of different nature were studied and it was shown that the anchor group does not change the basic spectral characteristics of the probe. (3) the interaction of functionalized probes with biological macromolecules was studied using the β-glucosidase enzyme as an example and showed that anchor groups increase the binding affinity of the probe to the protein. According to the results of molecular docking, it was established that upon binding, the probes are mainly localized in the hydrophobic catalytic pocket of the enzyme. (4)using the methods of quantum chemistry and molecular dynamics modeling, an all-atom OPLS-AA MD model was developed and the influence of ligand concentration and pH on the microscopic structure and dynamics of glutathione bound covalently to a gold nanoparticle was investigated. It is shown that the structural and dynamic properties of glutathione adsorbed on a gold nanoparticle, such as packing density and monolayer thickness, can be controlled by the concentration and pH of the medium. Product Description popup.authors bloshenko Zoya V. Glsdkov Yuvgen S. Doroshenko Andriy Olegovych Kyrychenko Oleksandr V. Kotlyar Volodymyr Mykolayovych Logacheva Marina O. Mishurov Dmitry O Chepeleva Liudmyla V Chumak Andrіi Yu. popup.nrat_date 2024-01-14 Close