Redefining the Molecular Interplay between Dimethyl Sulfoxide, Lipid Bilayers, and Dehydration

Abstract

The potentially damaging action of dimethyl sulfoxide (DMSO) on phospholipid bilayers remains a matter of controversy. We have conducted a series of long-scale molecular dynamics simulations of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayers at various levels of hydration in the presence of variable quantities of DMSO. These simulations provide evidence for a non-destructive dehydrating mechanism of action for DMSO on DOPC bilayers across a wide concentration range and levels of hydration. Specifically, under full- and low-hydration conditions, the bilayer underwent a minor lateral contraction, coinciding with surface dehydration in the presence of dilute DMSO solutions (X DMSO < 0.3). At higher DMSO concentrations, this bilayer structure was retained despite a progressive deterioration of the hydration structure at the interface. A similar convergence of bilayer structural properties was observed under dehydration conditions for 0.3 < X DMSO < 0.7. Destabilization occurred for dehydrated bilayers in the presence of X DMSO ≥ 0.7, suggesting the existence of a DMSO concentration and/or dehydration threshold. However, such DMSO concentrations far exceed those established as toxic to other cellular components. Our findings represent a computational model for DMSO–DOPC interactions that is consistent with a range of experimental characterizations, offering new molecular insights into the cryoprotective mechanisms of action of DMSO.

Multimodal factor evaluation system for organismal transparency by hyperspectral imaging

“…This effect could potentially be attributed to surface structure damage, leading to a disruption in the ordered reflective index of eggs. This disruption might result from high concentrations of DMSO can perturb membrane lipid structures and interfere with dehydration process [ 29 ].…”

Interface Water Assists in Dimethyl Sulfoxide Crossing and Poration in Model Bilayer

“…Many cryoprotectants permeate through the cell membrane through temporary pores and prevent cell damage during the freezing and thawing processes. , Dimethyl sulfoxide (DMSO) is one of the commonly used cryoprotectants in various fields, including cell biology, biotechnology, and clinical applications . The extensive solvating capabilities of DMSO, which enable it to dissolve a broad spectrum of both polar and nonpolar compounds, make it a versatile cosolvent.…”

“…It is suggested that extrapolation of results from one lipid type to all should be done with the utmost care . The role of DMSO on three major hydration regimes, notably low, moderate, and fully hydrated bilayers, shows the role of H-bonding in modulating the molecular mechanism …”

“…7,8 Dimethyl sulfoxide (DMSO) is one of the commonly used cryoprotectants in various fields, including cell biology, biotechnology, and clinical applications. 9 The extensive solvating capabilities of DMSO, which enable it to dissolve a broad spectrum of both polar and nonpolar compounds, make it a versatile cosolvent. cryopreservation, and chemical synthesis underscores the significant importance of studying the DMSO−water binary mixture in these contexts.…”

“…29 The role of DMSO on three major hydration regimes, notably low, moderate, and fully hydrated bilayers, shows the role of H-bonding in modulating the molecular mechanism. 9 The current study investigates the effect of DMSO on dimyristoyl-rac-glycero-3-phosphocholine (DMPC) bilayers by conducting a total of 18.85 μs of unbiased simulations and 45.46 μs of biased simulations. There are many inconsistencies in the literature regarding the fluidity of the bilayer when different concentrations of DMSO are present.…”