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Разработки и услуги

Категории: Scientific services · Devices and technologies

Analysis of spectral and thermodynamic characteristics of nanosystems by quantum chemistry methods

Dissociation of ascorbic acid in aqueous solution

Laboratory of quantum chemistry and chemical physics of nanosystems studies the spatial and electronic structure as well as the mechanisms of transformations of organic and inorganic substances at the molecular level.

Methods: Hartree-Fock theory, perturbation theory, density functional theory, time-dependent density functional theory, semiempirical methods, molecular dynamics in Car-Parrinello and Born-Oppenheimer variants.

Objects we can simulate:

- cluster models for solids;

- adsorption complexes;

ASTM tests for corrosion stability of different materials

Kyiv corrosion laboratory is founded upon Institute of Surface Chemistry in 2003. The laboratory is focused on process, development, investigation and synthesis of paints and varnishes over different metallic substrates.  The laboratory possesses by the unique equipment for corrosion tests (Salt Spay Cabinets, Cyclic Corrosion Chamber, Humidity cabinets, Electrochemical Station, Programmed Ovens and etc.) and supplies all necessary stuffs for preparation and analysis of paints, varnishes and etc.

Directional surface layer development for nano-, micro-, and macrodispersed materials

Photomicrographs of nanocomposites

The experience accumulated by the laboratory personnel in the field of directional change of surface properties allows one:

- to hydrophobize the surface, thus providing the materials with water repellent properties;

- to adjust the thixotropic characteristics and to structurize the appropriate dispersion media,

- including the formation of chemically cross-linked structures;

- to develop the multifunctional layers with different architecture and nature of active sites on the surface of nanoparticles;

Hydrophobic nanodispersed silicas with high carbon content

Chuiko Institute of Surface Chemistry of NAS of Ukraine in cooperation with Kalush Experimental Plant developed the technology for production of modified dispersed silicas with high carbon content in the chemisorbed layer.

Advantages:

- High dispersity

- Uniform structure

- Chemical homogeneity

Product can be used for gelation, stabilization of suspensions and emulsions, capsulation of biologically active objects or substances: as filler for polymers, oils, and other organic or organosilicon media: as anti-caking agent for dry mixtures, corn, seeds.

Pathelen® nanocomposition for wound care

Nanocomposition Pathelen® is manufactured in the pharmacy. It contains ingredients which are allowed for clinical use and certificated in Ukraine:

- nanosized silica,

- polymethylsiloxane,

- decamethoxin,

- benzalconium  chloride,

- metronidazole

Pathelen® belongs to a group of application sorbents with anti-microbial effect.

Medication is helpful for the   care of purulent wounds of various etiology, such as abscess, carbuncul, flegmona, panaricium, trophic ulcer, burns of different stages, «diabetic foot»,  etc.

Еnterosorbent Bаlzasil

Samples of Balzasil with different amounts of biocompounds

Balzasil is bioactive natural compound of 17 clean environmental Carpatian herbs extract (balm) and mountain honey, provides high antioxidant, immunomodulatory, anti-microbial, anti-inflammatory and tonic activity.

Indications:

- intoxications of various etiologies including food and alcohol poisoning of mild to moderate everity;

- dependence on alcohol, smoking, drugs;

- disorders of functioning of the internal organs;

- neurological and vegetative-vascular disorders;

- weakening of immunity;

Development of enterosorbents for different purposes

Enterosorbents for different purposes are proposed by Department of biomedical problems of surface.

Directions of investigations:

- determination of regularities in substance self-organization in confined space of adsorbent pores, biostructures of cellular or subcellular nature;

- surface influence on parameters of phase transitions involving water and nonpolar liquids;

- the nature of bioactivity of nanosized oxides;

- development of bio-mineral biocompatible composites specific to certain types of drugs.

Practical aspects:

Quantum chemical studies in pharmacology (in silico modeling of drug-receptor interactions)

Fields around hydrated DNA fragment

Theoretical modeling of drug molecules of medicines allows one to consider the structure, properties and mechanisms of interactions with receptors or other biomolecules in the body. The structural, electronic and energetic characteristics of molecules:

- atomic charges,

- energies of molecular orbitals,

- dipole moments,

- electrostatic potentials,

- ionization potentials,

- electron and proton affinity,

- solvation free energy, etc.

- derived from quantum chemical calculations can be used as molecular descriptors in QSAR - modeling.

Thermodesorption mass spectrometry study of nanooxides systems

SEM image of primary particles of fumed silica.

Time-of-flight one pass temperature programmed desorption mass spectrometry (TPD MS) as a sensitive method permits to distinguish different types of surface functionalities, and to investigate the influence of adsorption/re-adsorption time on solids, polymers etc. This method helps identify correlations between structure of materials and properties of the interfacial layer.

Adsorption studies of disperse and porous materials by gravimetric adsorption method

High vacuum weighing adsorption facility with a McBain–Bark quartz scale

Investigations of adsorption of vapors and gases of various nature and structures allow  a deep insight into not only textural characteristics, but also other important properties of disperse and porous materials and their surfaces, hydrophilic or hydrophobic, acidic or basic, or mosaic.

This technique is most appropriate to determine the structural and adsorption characteristics of disperse or porous materials which are stable upon cooling to temperature of liquid nitrogen.

Adsorption isotherm of

- water,

- benzene,

- hexane,

- diethylamine,

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