The dissolution mechanism, molecular dynamics simulation and thermodynamic analysis of nirmatrelvir (treatment of COVID-19) in aqueous ethanol mixtures

X Cai, C Yang, L Chen, R Li, C Du - Journal of Molecular Liquids, 2023 - Elsevier
This research investigates the cosolvent effect of nirmatrelvir (treatment of COVID-19) in
ethanol+ water mixtures. The result shows that the maximum solubility in mole fraction is …

Direct Oral FXa Inhibitors Binding to Human Serum Albumin: Spectroscopic, Calorimetric, and Computational Studies

N Mariño-Ocampo, DF Rodríguez… - International Journal of …, 2023 - mdpi.com
Direct FXa inhibitors are an important class of bioactive molecules (rivaroxaban, apixaban,
edoxaban, and betrixaban) applied for thromboprophylaxis in diverse cardiovascular …

Equilibrium solubility, solvent effect, and equation correlations of cyclosporine in twenty mono solvents and four binary mixtures

ES Ha, H Park, SK Lee, HT Kang, JS Jeong… - Journal of Molecular …, 2024 - Elsevier
In this study, the solid–liquid equilibrium solubility of cyclosporine in 20 pure solvents and
four binary mixtures at 298.15 K were determined using shake-flask technique. Solid-state …

Synergistic solvation effect and modeling of itraconazole solubility in eight binary mixtures (dichloromethane and chloroform+ primary alcohol) at the range of 288.15 K …

SK Lee, ES Ha, H Park, JS Jeong, JS Kim… - The Journal of Chemical …, 2023 - Elsevier
In this study, the solubility and apparent thermodynamic parameters of itraconazole in
chlorinated methane (dichloromethane and chloroform)+ primary alcohol (methanol …

Solubility measurement, correlation, and dissolution thermodynamics of 2, 4, 6, 8, 10, 12-hexanitrohexaazaisowurtzitane· 1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocane …

Q Jia, Y Liu, R Chen, J Wang, Y Song, S Zhang… - Journal of Molecular …, 2023 - Elsevier
The solubility of 2HNIW· HMX co-crystal in two binary solvent mixtures (ethanol+ methyl
acetate, and 1, 2-dichloroethane+ methyl acetate) was measured by gravimetric method at …

Effects of intermolecular interactions and solvent properties on the solid-liquid phase equilibrium of isosorbide 5-mononitrate

Y Cao, J Zhang, X Wan, S Jia, G Zhang, Z Zhou… - Journal of Molecular …, 2022 - Elsevier
Abstract Isosorbide 5-mononitrate (5-SIMN) is an organic nitrate pharmaceutical for the
treatment of angina pectoris. In this work, first, the solubility of 5-ISMN in ten organic solvents …

Dissolution behavior, thermodynamic analysis and molecular simulation of lithium bis (fluorosulfonyl) imide in organic solvent at 273.15 K to 313.15 K

X Fang, B Mei, X Yang, Y Yu, C Cao, L Xu… - The Journal of Chemical …, 2024 - Elsevier
The solubility of LiFSI in ethanol, n-propanol, isopropanol, n-butanol, methyl acetate, ethyl
acetate, propyl acetate, butyl acetate, dimethyl carbonate, ethyl methyl carbonate, diethyl …

Synergistic Solvation as the Enhancement of Local Mixing

S Shimizu, N Matubayasi - The Journal of Physical Chemistry B, 2024 - ACS Publications
Mixing two solvents can sometimes make a much better solvent than expected from their
weighted mean. This phenomenon, called synergistic solvation, has commonly been …

Research on dissolution behavior of N-hydroxyphthalimide in three binary solvents: Measurement, modeling, molecular simulation and thermodynamics

Y Wan, H He, F Li, X Gao, Y Li - Journal of Molecular Liquids, 2022 - Elsevier
Solubility data, relevant thermodynamic parameters as well as molecular interactions of N-
hydroxyphthalimide (NHPI) in three binary solvents of (2-methoxyethanol (EGME), N, N …

The development of an innovative method to improve the dissolution performance of rivaroxaban

EA Ozon, E Mati, O Karampelas, V Anuta, I Sarbu… - Heliyon, 2024 - cell.com
Recent advancements in the formulation of solid dosage forms involving active ingredient-
cyclodextrin complexes have garnered considerable attention in pharmaceutical research …