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Information × Registration Number 0223U000857, 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 20-01-2023 Organization V.N. Karazin Kharkiv National University popup.description2  The purpose of the research work is to solve a number of problems related to the design of new biocompatible stabilizing ligands for gold nanoparticles. The work involved modeling ligand- nanoparticle conjugates with ligands containing pH-sensitive peptides and proteins. Using quantum chemical calculations, an evaluation of electronic coupling in the "dye-nanoparticle" system was carried out for systems containing silver nanoparticles and fluorescent dyes based on 3- hydroxyflavones with different anchor groups. The structural and dynamic properties of the pH- sensitive AuNP coating with the pH-sensitive peptide pHLIP, which binds to the nanoparticle through the maleimide "anchor" group, were studied. The influence of the acidity of the environment on the conformational behavior of the pH-sensitive peptide pHLIP has been demonstrated, which leads to a significant change in the physical and chemical properties of the peptide shell of the nanoparticle. During adsorption or chemisorption of fluorescent dyes based on 3-hydroxyflavone dyes containing "anchor" groups in the 4' position, the absorption spectra shift to the long-wave range, which indicates strong electronic coupling and transfer of electronic excitation from the dye to the nanoparticle. The degree of dye-nanoparticle coupling depends on the nature and size of the "anchor" group, which allows controlling the photophysical characteristics of such conjugates. For the first time, a series of halogen-containing thiazolyl analogues of 3- hydroxyflavone was synthesized, and the structure of the obtained compounds was determined. According to the results of X-ray diffraction, it is shown that the introduction of a bulky bromine atom in the 4-position of the thiazole ring does not lead to a violation of the planarity of the main chromophoric fragment of the studied molecules. Quantum-chemical calculations showed that the effect of a heavy atom is not an obstacle to the im Product Description popup.authors Glsdkov Yuvgen S. Doroshenko Andriy Olegovych Kyrychenko Oleksandr V. Kotlyar Volodymyr Mykolayovych Mishurov Dmitry O Roshal Oleksandr Davydovych popup.nrat_date 2023-01-20 Close