Dielectric and structural properties of aqueous solutions of dimethylformamide and dimethyl sulfoxide

Local structural order and molecular associations in water-DMSO mixtures. Molecular dynamics study

“…One can see that on addition of DMSO the number of more distorted tetrahedra increases, which is consistent with our previous observations on the changes in the hydrogen-bonded network. Most changes occur in the polar region, where significant peaks arise at T = 25-30 (run M2) and [30][31][32][33][34][35] (run M3). One could expect the decrease of distortion of the Delaunay simplexes in the nonpolar region because of the well-known ability of hydrophobic groups to promote water structure.…”

Molecular dynamics simulation of dilute aqueous DMSO solutions. A temperature-dependence study of the hydrophobic and hydrophilic behaviour around DMSO

“…DMSO and its aqueous solutions have received considerable attention from a wide range of experimental techniques, such as X-ray and neutron diffraction studies, 22,23 as well as optical, 12,[24][25][26][27][28][29] acoustic, 7,30-32 NMR [33][34][35][36][37][38][39] and dielectric [40][41][42][43] spectroscopies. These studies have suggested that DMSO behaves as a strong structure maker by rigidifying the water structure, possibly through the hydrophobic hydration of the methyl groups of DMSO.…”