The effect of hydronium ions on the structure of phospholipid membranes
This work seeks to identify the mechanisms by which hydronium ions (H 3 O + ) modulate the structure of phospholipid bilayers by studying the interactions of H 3 O + with phospholipids at the molecular level. For this, we carried out multiple microsecond-long unrestrained molecular dynamics (MD) sim...
| Main Authors: | , , , |
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| Format: | Journal Article |
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R S C Publications
2017
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| Online Access: | http://hdl.handle.net/20.500.11937/60740 |
| _version_ | 1848760631008690176 |
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| author | Deplazes, Evelyne Poger, D. Cornell, B. Cranfield, C. |
| author_facet | Deplazes, Evelyne Poger, D. Cornell, B. Cranfield, C. |
| author_sort | Deplazes, Evelyne |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | This work seeks to identify the mechanisms by which hydronium ions (H 3 O + ) modulate the structure of phospholipid bilayers by studying the interactions of H 3 O + with phospholipids at the molecular level. For this, we carried out multiple microsecond-long unrestrained molecular dynamics (MD) simulations of a POPC bilayer at different H 3 O + concentrations. The results show that H 3 O + accumulates at the membrane surface where it displaces water and forms strong and long-lived hydrogen bonds with the phosphate and carbonyl oxygens in phospholipids. This results in a concentration-dependent reduction of the area per lipid and an increase in bilayer thickness. This study provides an important molecular-level insight into the mechanism of how H 3 O + modulates the structure of biological membranes and is a critical step towards a better understanding of the effect of low pH on mammalian and bacterial membranes. |
| first_indexed | 2025-11-14T10:18:50Z |
| format | Journal Article |
| id | curtin-20.500.11937-60740 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T10:18:50Z |
| publishDate | 2017 |
| publisher | R S C Publications |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-607402018-07-09T01:08:52Z The effect of hydronium ions on the structure of phospholipid membranes Deplazes, Evelyne Poger, D. Cornell, B. Cranfield, C. This work seeks to identify the mechanisms by which hydronium ions (H 3 O + ) modulate the structure of phospholipid bilayers by studying the interactions of H 3 O + with phospholipids at the molecular level. For this, we carried out multiple microsecond-long unrestrained molecular dynamics (MD) simulations of a POPC bilayer at different H 3 O + concentrations. The results show that H 3 O + accumulates at the membrane surface where it displaces water and forms strong and long-lived hydrogen bonds with the phosphate and carbonyl oxygens in phospholipids. This results in a concentration-dependent reduction of the area per lipid and an increase in bilayer thickness. This study provides an important molecular-level insight into the mechanism of how H 3 O + modulates the structure of biological membranes and is a critical step towards a better understanding of the effect of low pH on mammalian and bacterial membranes. 2017 Journal Article http://hdl.handle.net/20.500.11937/60740 10.1039/c7cp06776c http://creativecommons.org/licenses/by-nc/3.0/ R S C Publications fulltext |
| spellingShingle | Deplazes, Evelyne Poger, D. Cornell, B. Cranfield, C. The effect of hydronium ions on the structure of phospholipid membranes |
| title | The effect of hydronium ions on the structure of phospholipid membranes |
| title_full | The effect of hydronium ions on the structure of phospholipid membranes |
| title_fullStr | The effect of hydronium ions on the structure of phospholipid membranes |
| title_full_unstemmed | The effect of hydronium ions on the structure of phospholipid membranes |
| title_short | The effect of hydronium ions on the structure of phospholipid membranes |
| title_sort | effect of hydronium ions on the structure of phospholipid membranes |
| url | http://hdl.handle.net/20.500.11937/60740 |