Pressure effect on lidocaine conformational equilibria in scCO2: A study by 2D NOESY

IA Khodov, KV Belov, AA Dyshin… - Journal of Molecular …, 2022 - Elsevier
The work reports the results of an analysis of the lidocaine molecule conformational
behavior in a supercritical carbon dioxide medium. Based on the nuclear Overhauser effect …

Investigation of the Spatial Structure of Flufenamic Acid in Supercritical Carbon Dioxide Media via 2D NOESY

IA Khodov, KV Belov, MA Krestyaninov, AA Dyshin… - Materials, 2023 - mdpi.com
The 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 …

Chemometric approaches as an effective way to study conformer populations of lidocaine molecules in supercritical carbon dioxide

RD Oparin, MA Krestyaninov, MG Kiselev - Journal of Molecular Liquids, 2023 - Elsevier
In this work, we studied the equilibrium between lidocaine conformers with an intramolecular
hydrogen bond and those without such bond in a diluted lidocaine solution in scCO 2 (with …

Determination of the Spatial Structure of Lidocaine in SC-CO2 by the 2D NOESY Method

KV Belov, AA Dyshin, MG Kiselev… - Russian Journal of …, 2021 - Springer
This work presents an analysis of the lidocaine spatial structure in SC-CO2. Two-
dimensional nuclear Overhauser effect spectroscopy (2D NOESY) and quantum chemical …

Revealing the mechanism of polymer inhibition of 2, 4-dichlorophenoxyacetic acid Polymorphs phase transition by experimental and molecular dynamics simulation

L Fang, Z Cen, Y Cao, T Li, Z Li, J Gong - Journal of Molecular Liquids, 2024 - Elsevier
It is well-established that the occurrence of solution-mediated phase transformation makes
the precise preparation of pure metastable forms of drugs by solution crystallization methods …

Role of an intramolecular H-bond in lidocaine conformer distribution and polymorph stability

RD Oparin, MA Krestyaninov, MG Kiselev - Journal of Molecular Liquids, 2022 - Elsevier
In this work, we study conformational equilibria of lidocaine molecules in a saturated
lidocaine solution in scCO 2 under heating conditions in the temperature range of 35–80° C …

A near-infrared spectroscopic study of the conformational equilibria of lidocaine molecules in a highly concentrated lidocaine solution in supercritical CO2

RD Oparin, MG Kiselev - Journal of Molecular Liquids, 2024 - Elsevier
In this work, we studied conformational equilibria of molecules of lidocaine in its highly
concentrated solutions in scCO 2 at the CO 2 density values ranging from∼ 1.5 to∼ 2.0 of …

Possibility of dopant morphology control in the process of polymer impregnation with pharmaceuticals in a supercritical CO2 medium

RD Oparin, YA Vaksler, MA Krestyaninov… - Journal of Molecular …, 2021 - Elsevier
In this paper we present the results of polymethylmethacrylate (PMMA) impregnation with
carbamazepine (CBZ) in a supercritical carbon dioxide (scCO 2) medium at two different …

Prediction of Drug-like Compounds Solubility in Supercritical Carbon Dioxide: A Comparative Study between Classical Density Functional Theory and Machine …

DM Makarov, NN Kalikin… - Industrial & Engineering …, 2024 - ACS Publications
Supercritical carbon dioxide (scCO2) plays an essential role in various technological
procedures, making the solubility of drugs in scCO2 a crucial aspect of the drug formulation …

Conformational equilibria of lidocaine molecules released into a supercritical carbon dioxide medium from a nanocrystal cellulose aerogel

RD Oparin, AA Dyshin, MS Gruzdev… - Journal of Molecular …, 2024 - Elsevier
In this work, we studied the conformational equilibria of lidocaine molecules released from
NCC-based aerogel that was preliminarily impregnated with lidocaine. The doping of the …