Influence of polar co-solutes and salt on the hydration of lipid membranes
(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
- Wolde-Kidan, Amanuel ; Pham, Quoc Dat LU ; Schlaich, Alexander ; Loche, Philip ; Sparr, Emma LU ; Netz, Roland R. and Schneck, Emanuel
- organization
- publishing date
- 2019
- 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
-
- pmid:31343009
- 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
- 2024-03-19 19:02:45
@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}},
doi = {{10.1039/c9cp01953g}},
volume = {{21}},
year = {{2019}},
}