20.500.12556/RUL-137731 Molecular velocity auto-correlations in glycerol/water mixtures studied by NMR MGSE method Molecular dynamics in binary mixtures of water and glycerol was studied by measuring the spectrum of water velocity auto-correlation in the frequency range from 0.05 − 10 kHz by using the NMR method of modulated gradient spin echo. The method shows that the diversity of diffusion signature in the short spin trajectories provides information about heterogeneity of molecular motion due to the motion in the micro-vortexes of hydrodynamic fluctuation, which is especially pronounced for the mixtures with low glycerol content. As concentration of glycerol increases above 10vol%, a new feature of spectrum appears due to interaction of water molecules with the clusters formed around hydrophilic glycerol molecules. New spectrum exposes a rate thickening of molecular friction, according to Einstein–Smoluchowski–Kubo formula, which inhibits rapid molecular motions and creates the conditions for a slow process of spontaneously folding of disordered poly-peptides into biologically active protein molecules when immersed in such a mixture. molecular dynamics nuclear magnetic resonance MGSE method glycerol/water mixture NMR gradient spin-echo self-diffusion molecular velocity auto-correlation shear rate viscosity thickening protein folding molekulska dinamika jedrska magnetna resonanca metoda MGSE true false true Angleški jezik Slovenski jezik Članek v reviji 2022-06-29 13:48:34 2022-06-29 13:48:35 2022-09-15 04:15:44 0000-00-00 00:00:00 2020 0 0 12 str. art. 124171 Vol. 553 Sep. 2020 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 543.429.23 0378-4371 10.1016/j.physa.2020.124171 19363843 1-s2.0-S0378437120300212-main.pdf 1-s2.0-S0378437120300212-main.pdf 1 80F6EE624C0A94D929ACB148CCDD3975 b46c8b6c1273c2e25c66642c614bea4de18fb46e0b987b60b30f1affd5ebcfe6 e529c8aa-f7a3-11ec-8aca-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=157788 https://www.sciencedirect.com/science/article/pii/S0378437120300212 0 9dc2aa44-f7a2-11ec-8aca-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=157787 Fakulteta za matematiko in fiziko 0 0 0