Abstract
The bioprotective nature of monosaccharides and disaccharides is often attributed to their ability to slow down the dynamics of adjacent water molecules. Indeed, solvation dynamics close to sugars is indisputably retarded compared to bulk water. However, further research is needed on the qualitative and quantitative differences between the water dynamics around different saccharides. Current studies on this topic disagree on whether the disaccharide trehalose retards water to a larger extent than other isomers. Based on molecular dynamics simulation of the time-dependent Stokes shift of a chromophore close to the saccharides trehalose, sucrose, maltose, and glucose, this study reports a slightly stronger retardation of trehalose compared to other sugars at room temperature and below. Calculation and analysis of the intermolecular nuclear Overhauser effect, nuclear quadrupole relaxation, dielectric relaxation spectroscopy, and first shell residence times at room temperature yield further insights into the hydration dynamics of different sugars and confirm that trehalose slows down water dynamics to a slightly larger extent than other sugars. Since the calculated observables span a wide range of timescales relevant to intermolecular nuclear motion, and correspond to different kinds of motions, this study allows for a comprehensive view on sugar hydration dynamics.
Highlights
The bioprotective nature of sugars, especially of the disaccharide trehalose, has become a well-known phenomenon over the past decades
Based on molecular dynamics simulation of the timedependent Stokes shift of a chromophore close to the saccharides trehalose, sucrose, maltose, and glucose, this study reports a slightly stronger retardation of trehalose compared to other sugars at room temperature and below
Calculation and analysis of the intermolecular nuclear Overhauser effect, nuclear quadrupole relaxation, dielectric relaxation spectroscopy, and first shell residence times at room temperature yield further insights into the hydration dynamics of different sugars and confirm that trehalose slows down water dynamics to a slightly larger extent than other sugars
Summary
The bioprotective nature of sugars, especially of the disaccharide trehalose, has become a well-known phenomenon over the past decades. Trehalose was found to preserve membrane and protein structure upon desiccation, and to protect cells from injury upon freezing or heating.7–10 Other disaccharides, such as sucrose, maltose, or lactose, as well as monosaccharides, such as glucose and fructose, show some bioprotective properties, but trehalose was found to be most effective.. Sarkar and co-workers reported slower solvation dynamics for sucrose than for trehalose, measured by the timedependent Stokes shift (TDSS) of chromophores anchored in a lipid bilayer.. Sarkar and co-workers reported slower solvation dynamics for sucrose than for trehalose, measured by the timedependent Stokes shift (TDSS) of chromophores anchored in a lipid bilayer.26 Summing up, it is still highly debatable whether trehalose slows down water dynamics to a larger extent than other saccharides. A systematic analysis of water retardation close to disaccharides through different observables and experiments is needed
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