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Solute–Solvent Interactions of Flavonoids in Organic Solvents |
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| Authors: | Claudia Sandoval Marcos Caroli Rezende Fernando González-Nilo |
| Institution: | (1) Facultad de Química y Biología, Universidad de Santiago, Casilla 40, Correo 33, Santiago, Chile |
| Abstract: | The diffusion coefficients of one flavone and five isoflavones in methanol, ethanol, 2-propanol, and acetonitrile were measured at 25°C by the Taylor–Aris dispersion method. The observed variations of the D values were interpreted in terms of solute–solvent hydrogen-bond interactions and the interpretation was supported by molecular dynamics simulations of two solutes in methanol. |
| Keywords: | Diffusion coefficients flavonoids Taylor– Aris dispersion molecular dynamics simulation |
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