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Influence of polar co-solutes and salt on the hydration of lipid membranes

Wolde-Kidan, Amanuel; Pham, Quoc Dat LU ; Schlaich, Alexander; Loche, Philip; Sparr, Emma LU ; Netz, Roland R. and Schneck, Emanuel (2019) In Physical Chemistry Chemical Physics 21(31). p.16989-17000
Abstract

The influence of the co-solutes TMAO, urea, and NaCl on the hydration repulsion between lipid membranes is investigated in a combined experimental/simulation approach. Pressure-hydration curves obtained via sorption experiments reveal that the repulsion significantly increases when the membranes are loaded with co-solutes, most strongly for TMAO. As a result, the co-solutes retain additional water molecules and therefore provide membranes with a fluid and more physiological environment. The experimental data are quantitatively reproduced in complementary solvent-explicit atomistic molecular dynamics simulations, which yield the chemical potential of water. Simulation analysis reveals that the additional repulsion arises from the osmotic... (More)

The influence of the co-solutes TMAO, urea, and NaCl on the hydration repulsion between lipid membranes is investigated in a combined experimental/simulation approach. Pressure-hydration curves obtained via sorption experiments reveal that the repulsion significantly increases when the membranes are loaded with co-solutes, most strongly for TMAO. As a result, the co-solutes retain additional water molecules and therefore provide membranes with a fluid and more physiological environment. The experimental data are quantitatively reproduced in complementary solvent-explicit atomistic molecular dynamics simulations, which yield the chemical potential of water. Simulation analysis reveals that the additional repulsion arises from the osmotic pressure generated by the co-solutes, an effect which is maximal for TMAO, due to its unfavorable interactions with the lipid headgroup layer and its extraordinarily high osmotic coefficient.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
21
issue
31
pages
12 pages
publisher
Royal Society of Chemistry
external identifiers
  • scopus:85070540356
ISSN
1463-9076
DOI
10.1039/c9cp01953g
language
English
LU publication?
yes
id
9a2abc50-0e2c-4c4f-a3fb-2c042cc9839b
date added to LUP
2019-08-23 15:01:12
date last changed
2019-09-17 04:59:20
@article{9a2abc50-0e2c-4c4f-a3fb-2c042cc9839b,
  abstract     = {<p>The influence of the co-solutes TMAO, urea, and NaCl on the hydration repulsion between lipid membranes is investigated in a combined experimental/simulation approach. Pressure-hydration curves obtained via sorption experiments reveal that the repulsion significantly increases when the membranes are loaded with co-solutes, most strongly for TMAO. As a result, the co-solutes retain additional water molecules and therefore provide membranes with a fluid and more physiological environment. The experimental data are quantitatively reproduced in complementary solvent-explicit atomistic molecular dynamics simulations, which yield the chemical potential of water. Simulation analysis reveals that the additional repulsion arises from the osmotic pressure generated by the co-solutes, an effect which is maximal for TMAO, due to its unfavorable interactions with the lipid headgroup layer and its extraordinarily high osmotic coefficient.</p>},
  author       = {Wolde-Kidan, Amanuel and Pham, Quoc Dat and Schlaich, Alexander and Loche, Philip and Sparr, Emma and Netz, Roland R. and Schneck, Emanuel},
  issn         = {1463-9076},
  language     = {eng},
  number       = {31},
  pages        = {16989--17000},
  publisher    = {Royal Society of Chemistry},
  series       = {Physical Chemistry Chemical Physics},
  title        = {Influence of polar co-solutes and salt on the hydration of lipid membranes},
  url          = {http://dx.doi.org/10.1039/c9cp01953g},
  volume       = {21},
  year         = {2019},
}