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Information × Registration Number 0218U001460, 0116U000834 , R & D reports Title Nanosystems and nano-ordered materials: design, physic-chemical characteristics, optimization of application conditions in high technologies, medicine, and analysis popup.stage_title Head Mchedlov-Petrosyan N., Registration Date 19-04-2018 Organization Kharkov National University named after V.N. Karazin popup.description2 Aim of the study. This study is aimed to reveal the regularities of nanodiamonds and fullerene C60 coagulation of colloidal particles via electrolytes and their interactions with organic dyes. Another aim is to elucidate the peculiarities of organic additives on the interaction of indicator dyes with an anionic polyelectrolyte and to examine the behavior of such indicators in cationic polyelectrolyte aqueous solutions. Molecular-dynamics modeling of ionic surfactant micelles was furthered by studying the locus and hydration of a solvatochromic dye in these pseudophases. Another target was to determine the quantitative parameters of dissociation of a series of fluorescein dyes in dimethylsulfoxide and to identify the structures of tautomers in solution. The possibility of application of the Davies equation to the ionic surfactant adlayers on water/air and water/hydrocarbon interfaces was examined and a modified equation was proposed. The development of new quantum-chemical methods of study of conjugated polymers based on the theory of coupled clusters was a purpose of theoretical part of the investigation. Another objective was the theoretical study and formulation of features of the scalable properties of discrete random dense tessellations in metrics that are determined by the crystal structures of the substrates. Also, the morphological stability of silver nanoparticles was investigated theoretically. Finally, experimental studies included the properties and fluorescent ability of indoline dyes in moleculaar environment, the evaluation of the toxicity of the nanocarbon tubes aqueous dispersion, and development of electrochemical sensors based on organo-silica materials for determination of antioxidants. Obtained results and their novelty. For the first time the aggregative stability of strongly diluted hydrosols of detonation nanodiamonds and fullerene was determined and quantitatively characterized, the dissociation of cation-anionic dye complexes in the presence of nanodiamonds is proved. The strong coagulative influence of cationic dyes on the fullerene hydrosol is confirmed. For the first time the influence of organic additives on the acid-base equilibria of indicator dyes in polyelectrolytic aqueous solution was quantitatively characterized. The differentiative influence of cationic polyelectrolytes on the protolytic properties of dyes was revealed. The molecular-dynamics simulation allowed revealing the locus of the solvatochromic Reichardts dye in CTAB and SDS micelles and thus to confirm the experimental data concerning the hydration character of cationic and anionic surfactant micelles. For the first time the set thermodynamic dissociation constants of a series of fluorescein dyes in dimethylsulfoxide was determined via the spectrophotometric method; the vis- and infrared spectroscopy methods allowed to prove the lactonic structure of the monoanion of 5'-aminofluoresecein. A new version of the equation of state of ionic surfactant in monolayers was proposed and the inapplicability of the Davies equation in its common form to the adlayers was demonstrated. The mathematical and algorithmic foundations of newly developed program package for calculations of conjugated polymeric systems have been described. Also the nonempirical L1-regularization approach to solution of coupled cluster equations which was developed recently has been tested. As an example the F2 diatomic molecule wave function and corresponding potential energy curve were analyzed. It was demonstrated that even at large values of regularization parameter (when the number of amplitude significantly shrinking) the presented method leads to qualitatively correct description of dissociation process. Planar discrete Poisson-Voronoi tessellations have been investigated. The structure of the boundaries is described in detail. The concept of Gabriel edges is extended to the discrete case under study. Statistical results are presented for the tesselation as a whole, as well as for subsets of random domains with a given number of edges. The averaged distances to neighbors in the metric, determined by the growth mode of nuclei, are compared with the Euclidean metric. Linearity in the number of edges is found for four scaling characteristics. The modeling of morphological stability of silver nanoparticles consisting of 44-1156 covered by polyvinyl alcohol was performed. The spectral and fluorescent properties of dyes D205, D149, and D102 were characterized in 16 organic solvents. The introduction of a suspension of carbon nanotubes displays no significant influence on the state and behavior of cats. The developed electrochemical procedures of 4-(2-aminoethyl)benzene-1,2-diol and quercetin determination allow to check the quality of the corresponding medicals. The analytical procedures were examined using real systems. Product Description popup.authors Іванов В. Вовчинський І. Водолазька Н. Гайденко НЕ. Гога С. Захаров А. Камнєва Н. Кириченко О. Коваленко С. Коробов О. Корсун О. Лагута А. Марфунін Н. Мчедлов-Петросян М. Никифорова О. Ткаченко О. Фарафонов В Харченко А. Чейпеш Т. Шеховцов С. popup.nrat_date 2020-04-02 Close