TY - JOUR
T1 - Theoretical and experimental investigation of hydration behavior of choline salicylate ionic liquid in the presence of L- glycine
AU - Ammari, Negin
AU - Shekaari, Hemayat
AU - Golmohammadi, Behrang
AU - Ghaffari, Fariba
AU - Zafarani-Moattar, Mohammed Taghi
N1 - Publisher Copyright:
© The Author(s) 2025.
PY - 2025/12
Y1 - 2025/12
N2 - Choline salicylate [Ch][Sal] an active pharmaceutical ingredient ionic liquid (API-IL) aqueous solutions in the presence of L-glycine that is a simple simulated biological media has been studied. The thermodynamic and transport properties including density, speed of sound, viscosity and electrical conductance have been studied under atmospheric pressure and a temperature range of (288.15 to 318.15) K. The key thermophysical properties, including apparent molar volume (Vφ), apparent molar isentropic compressibility (κφ), viscosity B-coefficient, ion association constant (Ka), and limiting molar conductivity (Λ0) were derived from these data. The transfer properties (ΔtrVφ0, Δtrκφ0, and ΔBtr) demonstrate the dominance hydrophilic-hydrophilic interactions between the IL and L-glycine in the studied systems that increased with L-glycine concentration. The COSMO results revealed that differences in molecular size, stability, and hydration behavior of [Ch][Sal] and L-glycine, with [Ch][Sal] exhibiting stronger hydration due to its larger size and hydrogen bonding capacity. These findings provide insights into solute-solvent interactions and potential synergistic effects of [Ch][Sal] and L-glycine as a simple simulated biological media contributing to the optimization of pharmaceutical formulations and related activities.
AB - Choline salicylate [Ch][Sal] an active pharmaceutical ingredient ionic liquid (API-IL) aqueous solutions in the presence of L-glycine that is a simple simulated biological media has been studied. The thermodynamic and transport properties including density, speed of sound, viscosity and electrical conductance have been studied under atmospheric pressure and a temperature range of (288.15 to 318.15) K. The key thermophysical properties, including apparent molar volume (Vφ), apparent molar isentropic compressibility (κφ), viscosity B-coefficient, ion association constant (Ka), and limiting molar conductivity (Λ0) were derived from these data. The transfer properties (ΔtrVφ0, Δtrκφ0, and ΔBtr) demonstrate the dominance hydrophilic-hydrophilic interactions between the IL and L-glycine in the studied systems that increased with L-glycine concentration. The COSMO results revealed that differences in molecular size, stability, and hydration behavior of [Ch][Sal] and L-glycine, with [Ch][Sal] exhibiting stronger hydration due to its larger size and hydrogen bonding capacity. These findings provide insights into solute-solvent interactions and potential synergistic effects of [Ch][Sal] and L-glycine as a simple simulated biological media contributing to the optimization of pharmaceutical formulations and related activities.
U2 - 10.1038/s41598-025-95345-8
DO - 10.1038/s41598-025-95345-8
M3 - Article
SN - 2045-2322
VL - 15
JO - Scientific Reports
JF - Scientific Reports
IS - 1
M1 - 13867
ER -