Structure-making solvation of ferulic acid across protic and aprotic solvents: viscosity experiments, simulations, and implications for antioxidant function
Abstract
reveal that FA acts as a structure-maker across all solutions. Molecular dynamics simulations complement these findings, revealing marked cross-species correlations and mixed clusters in protic solvents. Hydrogen-bond analysis highlights the long lifetimes of cross-species hydrogen bonds, underscoring the dual donor-acceptor capacity of FA. The insights from experiments and simulations provide a molecular foundation for understanding how solute-induced structure-making by ferulic acid influences solvent organization, and ultimately, properties such as viscosity and antioxidant performance.
Fields of Study & Subjects
Spectroscopy and Quantum Chemical Studies
Thermodynamic properties of mixtures
Free Radicals and Antioxidants
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Volume
- 28
- Issue
- 11
- Pages
- 7136–7147
- Publication date
- 1 January 2026
- Language
- EN