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Vol 59, No 5 (2025)

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GENERAL QUESTIONS

Mechanism of fulvic acid decay under the influence of microwave radiation: results of quantum chemical calculations

Ananicheva S.A., Gerasimova E.V., Zelentsov S.V., Peskov N.Y., Glyavin M.Y.

Abstract

The primary products of fulvic acid thermolysis under microwave irradiation were studied using DFT quantumchemistry methods with BP86 and B3LYP potentials. The method of relaxation scanning of the most importantprocess paths leading to the rupture of peripheral C–H, C–O and C–C bonds and the formation of atomichydrogen, HO· and ·CO2H radicals was used. Secondary processes lead to the formation of molecular hydrogen,water, and carbon dioxide, respectively.
Himiâ vysokih ènergij. 2025;59(5):303-308
pages 303-308 views
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PHOTONICS

Effect of synthesis conditions on phase composition, structure and lifetime of photogenerated current carriers in quadruple copper compounds cu2-Δ srsns4(0≤δ<0.4)

Gapanovich M.V., Koltsov E.N., Rabenok E.V., Kalimullina D.R., Rakitin V.V., Lutsenko D.S., Golovanov B.I., Korchagin D.V., Shilov G.V., Sedlovets D.M.

Abstract

By the method of solid-phase ampoule synthesis the samples of Cu2-δSrSnS4 in the range of 0 0.4 were obtained. Cu2-δ SrSnS4in the range of 0≤δ<0.4, their lattice parameters were specified, and Raman spectra were studied as a function of δ. It was found that for these compounds a narrower region of single phase is observed in comparison with the compounds Cu2-δ BaSnS4 having similar structure. At the same time, Cu2-δ SrSnS4 samples are unstable when annealed in vacuum. By the method of microwave photoconductivity it was found that additional annealing of Cu2-δ SrSnS4 in the presence of SnS2 leads to a marked increase in the lifetime of photogenerated current carriers, which is apparently due to a decrease in the number of impurity phases and structural defects formed due to thermal instability during synthesis.

Himiâ vysokih ènergij. 2025;59(5):309-316
pages 309-316 views
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ФОТОХИМИЯ

Oxidation of unsymmetrical dimethylhydrazine by triplet nitro compounds

Semeikin A.S., Zelentsov S.V.

Abstract

The transfer of one of the oxygen atoms of nitro compound molecules in the T1 state to one of the nitrogen atoms of unsymmetrical dimethylhydrazine molecule in the S0 state has been studied using the B3LYP/6-311G+(d) quantum chemical method. This process is one of the possible routes for photochemical oxidation of nitrogen-containing compounds by nitro compounds. Two possible reaction variants with attack on the N-dimethyl nitrogen atom (1) and the nitrogen atom of the hydrazine group (2) have been considered. Quantum chemical calculations show that such reactions are possible due to relatively low Gibbs energy. The corresponding values lie in the range of 99–111 kJ/mol for reaction (1) and 136–123 kJ/mol for reaction (2). Calculations of spin densities on atoms in the transition state show that there is no significant change in the distribution of spin density on the atoms of the reaction center. The obtained data may indicate a biradical character of the process. It has been concluded that the oxygen transfer reaction to the nitrogen atom with dimethyl substituents is energetically more favorable.

Himiâ vysokih ènergij. 2025;59(5):317-321
pages 317-321 views
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RADIATION CHEMISTRY

On the Effect of Ionizing Radiation on a Fluorescent Dye in Solution, in Complex with DNA and in Its Cholesteric Liquid-Crystalline Dispersion

Kolyvanova M.A., Klimovich M.A., Belousov A.V., Kuzmin V.A., Morozov V.N.

Abstract

A comprehensive study on the behavior of SYBR Green I (SG) dye when it is exposed to ionizing radiation (IR) in solution in the free state, in complex with DNA, and also in its cholesteric liquid-crystalline dispersions (CLCDs) was performed. It has been shown that introduction of SG into the DNA CLCD not only significantly increases its own resistance to IR but also leads to the emergence of additional functionality in these promising dosimetric systems – the ability to register the absorbed dose by the changes in fluorescence intensity or amplitude of the induced circular dichroism signal. The dye addition also makes it possible to significantly expand the range of doses registered with their help.
Himiâ vysokih ènergij. 2025;59(5):322-335
pages 322-335 views
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Effect of gamma-irradiation of papain on physicochemical properties of its aqueous solutions

Gataullin A.R., Bogdanova S.A., Shevyakova A.E., Demidov S.V., Allayarov S.R.

Abstract

The effect of γ-irradiation of papain with doses from 30 to 700 kGy on light absorption in the UV and visible regions, isoelectric state, viscosity, surface tension and electrical conductivity of its aqueous solutions has been studied. It is shown that the increase of irradiation dose of papain on the one hand is accompanied by the increase of absorption in the UV and visible regions, as well as by the increase of electrical conductivity, on the other hand, the increase of irradiation dose of papain is accompanied by the decrease of viscosity and surface tension of its solutions. The main reasons for such changes are the destruction of peptide bonds in papain during radiolysis and reduction of its molecular weight, radiation-induced oxidation of amino acid residues and formation of carbonyl derivatives, as well as the formation and accumulation in papain macromolecules of various terminal primary amino groups carrying a positive charge.
Himiâ vysokih ènergij. 2025;59(5):336-343
pages 336-343 views
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Degradation of albumin and aromatic amino acids in reactions with radicals OH● and under the influence of UV radiation 253.7 nm

Piskarev I.M.

Abstract

Oxidative degradation of bovine serum albumin, a mixture of fluorescent amino acids tyrosine, tryptophan and phenylalanine and separately the same aromatic amino acids included in albumin, under the action of hydroxyl and hydroperoxyl radicals and UV radiationl = 253.7 nm was studied. The starting substances and reaction products were identified by fluorescence method in two-dimensional scanning mode. Stern-Folmer fluorescence quenching coefficients were calculated to analyze the results. Based on the Stern-Folmer coefficients, the reaction mechanisms of radicals and UV radiation with protein and individual amino acids are compared.
Himiâ vysokih ènergij. 2025;59(5):344-350
pages 344-350 views
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PLASMA CHEMISTRY

Influence of non-thermal plasma of atmospheric pressure glow discharge on surface modification of maize seeds

Baldanov B.V., Ranzhurov T.V.

Abstract

The influence of atmospheric pressure glow discharge on the surface modification of corn seeds has been studied. Short-term exposure of seeds to non-thermal plasma leads to a decrease in the contact angle and an increase in the free surface energy. Analysis by scanning electron microscopy showed that exposure of seeds to non-thermal plasma causes significant changes on the surface.
Himiâ vysokih ènergij. 2025;59(5):351-355
pages 351-355 views
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Modification of surface properties of plastic filaments in a plasma three-electrode tube

Semyonov A.P., Baldanov B.B., Ranzhurov T.V.

Abstract

The modification of surface properties of thermoplastic polymers, in particular, plastic filaments of Polylactic Acid (PLA), by their treatment in a plasma three-electrode tube with low-temperature argon plasma of a volumetric independent glow discharge with a dielectric barrier at atmospheric pressure has been experimentally demonstrated. A PLA plastic filament is continuously pulled at a velocity of 4 mm/s through the discharge plasma at a discharge current of 0.7–3 mA. The water contact wetting angle is shown to decrease from 8° to 44°, the free surface energy is shown to increase from 32.28 to 56.84 mJ/m2.

Himiâ vysokih ènergij. 2025;59(5):356-359
pages 356-359 views
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Torrefaction of Granulated Peat Using Atmospheric Pressure High-Frequency Plasma Discharge

Shavelkina M.B., Fedorovich S.D., Faleyeva Y.M., Shavelkin M.A., Kavyrshin D.I., Valliano G.E.

Abstract

The possibility of using high-frequency induction (HFI) argon plasma of atmospheric pressure for torrefaction of fuel pellets from upland peat to improve combustion efficiency has been demonstrated experimentally. From analyzing the emission spectra of argon plasma during peat surface treatment, the component composition of the plasma flux was determined. The presence of OH radicals was found to have a destructive effect on the natural polymers of peat. As a result of polymer degradation, the compacted fibrous structures forming the peat matrix acquired a loose surface. The methods of thermogravimetric analysis revealed that during pyrolysis pellets lose less mass due to the removal of volatile components during treatment in plasma, and this allows reducing emissions into the atmosphere during combustion.
Himiâ vysokih ènergij. 2025;59(5):360-366
pages 360-366 views
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The Effect of Underwater Diaphragmatic Discharge (UDD) on Particle Sizes in Aqueous Colloidal Copper Solution

Sitanov D.V., Shabanova A.A., Alalykin I.A.

Abstract

The method of plasma treatment of aqueous colloidal copper solutions for purposeful enlargement of particle sizes in order to obtain compositions with dosed manifestation of bactericidal and disinfectant properties has been proposed. It is shown that an important component of obtaining a stable colloidal system is the use of surface-active substances (surfactants) stabilizing the colloidal system, and insignificant additions of high-molecular alcohols give the best results and prevent the release of copper on the walls of the vessel with colloidal solution. It was found out that as a result of plasma action on the solution it is possible to increase the size of copper particles on average by 1.5–2 times.
Himiâ vysokih ènergij. 2025;59(5):367-372
pages 367-372 views
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