Publications by authors named "Konstantin V Belov"
Article Synopsis
- The study examined a composite material made of silica aerogel and flufenamic acid (FFA) using various nuclear magnetic resonance (NMR) techniques to understand its structural and sorption properties.
- Magic angle spinning NMR revealed strong interactions between the aerogel and FFA, while solid-state NMR provided information on the aerogel's stability and confirmed FFA's presence within the composite.
- Results showed that the inclusion of FFA altered the aerogel's pore structure and sorption characteristics, which is important for creating new solid drug forms.
The study presents a thorough and detailed analysis of bicalutamide's structural and conformational properties. Quantum chemical calculations were employed to explore the conformational properties of the molecule, identifying significant energy differences between conformers. Analysis revealed that hydrogen bonds stabilise the conformers, with notable variations in torsion angles.
View Article and Find Full Text PDFThe present work analyzes the H NOESY MAS NMR spectra of three fenamates (mefenamic, tolfenamic, and flufenamic acids) localized in the lipid-water interface of phosphatidyloleoylphosphatidylcholine (POPC) membranes. The observed cross-peaks in the two-dimensional NMR spectra characterized intramolecular proximities between the hydrogen atoms of the fenamates as well as intermolecular interactions between the fenamates and POPC molecules. The peak amplitude normalization for an improved cross-relaxation (PANIC) approach, the isolated spin-pair approximation (ISPA) model, and the two-position exchange model were used to calculate the interproton distances indicative of specific conformations of the fenamates.
View Article and Find Full Text PDFThe search for new forms of already known drug compounds is an urgent problem of high relevance as more potent drugs with fewer side effects are needed. The trifluoromethyl group in flufenamic acid renders its chemical structure differently from other fenamates. This modification is responsible for a large number of conformational polymorphs.
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- * The study analyzed Arbidol’s conformational preferences in different solvents (deuterated chloroform and dimethyl sulfoxide) at 25 °C using the 2D NOESY method, highlighting its various solvate forms based on molecular conformation.
- * The combination of NMR and X-ray data determined the conformer populations of Arbidol in the two solvents, revealing that the preferred conformation in solution corresponds to the stable crystal solvates of the compound.
The study of supercritical carbon dioxide sorption processes is an important and urgent task in the field of "green" chemistry and for the selection of conditions for new polymer material formation. However, at the moment, the research of these processes is very limited, and it is necessary to select the methodology for each polymer material separately. In this paper, the principal possibility to study the powder sorption processes using C nuclear magnetic resonance spectroscopy, relaxation-relaxation correlation spectroscopy and molecular dynamic modeling methods will be demonstrated based on the example of polymethylmethacrylate and supercritical carbon dioxide.
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- * Micronization via supercritical fluids can enhance drug properties, and adding just 2 mol% dimethyl sulfoxide significantly boosts mefenamic acid's solubility, making the drug more effective.
- * Structural analysis using nuclear Overhauser effect spectroscopy revealed that the conformation of mefenamic acid varies depending on the solvent, underscoring the need to consider hidden conformers for optimizing drug micronization.