Registration Number
0222U001940,
0119U002532
, R & D reports
Title
Fundamentals of governing physic-chemical and operational properties of micro- and nanostructures: theoretical prognostication and experimental study.
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Head
Mchedlov-Petrosian Mykola O,
Registration Date
04-02-2022
Organization
V.N. Karazin Kharkiv National University
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Aim of the work – To optimize the method of synthesis of nitrofluorescein
esters, to study their absorption spectra and acid-base properties in organic and
micellar solutions. Describe the main colloidal properties of suspensions and sols
of nanocarbon structures, namely, fullerenes and single-walled carbon nanotubes.
Develop electrochemical sensors for voltammetric determination of estrogenic
steroid hormones. Investigate the regularities and distinctive features of the
functioning of dynamic deposited nanocatalysts with self-organized configuration
of catalytic centers in the case of their random location. Build QSAR models to
describe pKa of a wide class of organic compounds. Develop a set of computer
programs for constructing classification functions of activity based on L1-
5
regularization. Optimization of conditions for the creation and operation of solar
cells sensitized to organic dyes, forecasting the physical and chemical properties of
hybrid organo-inorganic nanomaterials.
Methods – spectrophotometry, NMR spectroscopy, dynamic light scattering,
L 1 -regularization, coupled clusters theory; kinetic Monte Carlo method; classical
molecular-dynamic (MD) simulation; non-empirical (ab initio) MD modeling and
quantum-chemical calculations; methods of spectrophotometry in the UV region
and IR region of the spectrum, liquid chromatography. Photoinduced electron
transfer from dye to semiconductor in solutions, influence of medium on
conformational dynamics in dye-TiO2 system, electronic absorption spectra of
organic dyes, chemometric “structure-activity” models, classical molecular-
dynamic (MD) modeling, quantum chemical calculations, methods QSAR.
Obtained results and novelty – An effective method for the synthesis of a
number of fluorescein compounds has been developed and the products of adverse
reactions have been identified. The nature of the protolytic equilibrium of
nitrofluoresceins in the new binary solvent "acetonitrile + 4 wt% DMSO"
develop
Product Description
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Ivanov Volodymyr Venedyktovych
Hoha Sergii Tarasovych
Kalugin Oleg Mykolayovych
Kyrychenko Oleksandr V.
Kovalenko Sergiy M
Kolesnik Yaroslav V.
KOROBOV OLEKSANDR ISAAKOVYCH
Mchedlov-Petrossyan Mykola O.
Khristenko Inna Vasilivna
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2022-03-09
