Published in Russian Journal of Physical Chemistry B
Nine compounds are studied for antioxidant activity, including those from the class of catecholamines containing 3,4-hydroxyphenyl (catechol) as a common structural fragment, which imparts antioxidant properties to the compounds in the reactions of hydrocarbon substrate oxidation. The antiradical activity is determined by the chemiluminescent metho...
Published in Russian Journal of Physical Chemistry B
The ongoing spread of the COVID-19 coronavirus infection requires us to find new tools and methods for detecting and studying the infection and preventing morbidity (new analytical procedures and tests). With the aim of developing probes for the detection of SARS-CoV-2 coronavirus by modeling in silico (molecular docking), the noncovalent binding o...
Published in Russian Journal of Physical Chemistry B
AbstractA technique for dispersing single-walled carbon nanotubes (SWCNTs) in 2-pyrrolidone to obtain stable concentrated suspensions is described. The resulting suspensions are studied by Raman spectroscopy and used to modify poly(methyl methacrylate) (PMMA) samples with average molecular weights of 15 000 and 996 000 g mol–1 by impregnation in su...
Published in Russian Journal of Physical Chemistry B
AbstractWe present the results of calculation of the solvation free energy, based on the classical density functional theory, for a series of 1,2,4-thiadiazole derivatives in supercritical carbon dioxide at three temperatures (308.15, 318.15 and 128.15). Using the obtained data, the solubility values of the chosen compounds are determined. The corr...
Published in Russian Journal of Physical Chemistry B
AbstractBy the example of oleanolic acid (OA), we evaluate the potential of subcritical water (SBW) extraction as a means of isolating pharmaceutically and nutraceutically important compounds from an olive leaf (Olea europaea L.). We show that, with SBW as an extraction fluid, OA can be isolated from the olive leaf with a yield comparable to that a...
Published in Russian Journal of Physical Chemistry B
AbstractThe solubility of levofloxacin (LFC) in supercritical carbon dioxide and trifluoromethane has been measured within the pressure range of 10–30 MPa at temperatures of 323 and 373 K. The solubility was determined by changes in the mass of the LFC sample kept in an SC fluid at the given temperature and pressure. The obtained value of LFC solub...
Published in Russian Journal of Physical Chemistry B
AbstractIt is shown that supercritical water (SCW) can be formed during the absorption of an 8-ns laser pulse by a 50-nm-thick gold film being in contact with water. The pressure jump that occurs near the film is estimated by measuring the acoustic pressure in the far field using a hydrophone based on a lithium niobate crystal. The temperature jump...
Published in Russian Journal of Physical Chemistry B
AbstractThe paper presents a study of the influence of temperature, pressure, dispersion medium, type of single-walled carbon nanotubes (CNTs) on the degree of CNT deagglomeration after treatment by rapid expansion of supercritical suspensions (RESS). The results of Raman spectroscopy and scanning electron microscopy experiments show that the highe...
Published in Russian Journal of Physical Chemistry B
AbstractA method is proposed for the catalytic conversion of bio-oil obtained via the pyrolysis of coniferous wood waste in supercritical propanol-2. The method makes it possible to obtain a mixture of monoaromatic hydrocarbons from a pyrolysis liquid with the possibility of removing up to 80% of the oxygen from the products.
Published in Russian Journal of Physical Chemistry B
AbstractThe method of classical molecular dynamics is used to model the structure of coniferyl alcohol (CA) aqueous solutions in the NVT-ensemble at a solute concentration of 2 wt %, at densities corresponding to normal (T = 298 K, P = 0.1 MPa) and supercritical (T = 673 K, P = 23 MPa) conditions of the solvent. It is found that all the CA molecule...
