Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes
Molecular dynamics simulations have been used to investigate the effect of DMSO on 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) phospholipid bilayers. The concentration of DMSO was varied between 0 and 25.0 mol %. For both lipids, DMSO c...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2012
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| Online Access: | http://hdl.handle.net/20.500.11937/38355 |
| _version_ | 1848755298404139008 |
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| author | Hughes, Zak Mark, A. Mancera, Ricardo |
| author_facet | Hughes, Zak Mark, A. Mancera, Ricardo |
| author_sort | Hughes, Zak |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Molecular dynamics simulations have been used to investigate the effect of DMSO on 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) phospholipid bilayers. The concentration of DMSO was varied between 0 and 25.0 mol %. For both lipids, DMSO causes the membrane to expand in the plane of the membrane while thinning normal to that plane. Above a critical concentration, pores in the membrane form spontaneously, and if the concentration is increased further, then the bilayer structure is destroyed. Even at concentrations below those required to induce pores, DMSO readily diffuses across the bilayers. The free-energy profile associated with the diffusion of a DMSO molecules across the membrane has been calculated. The simulations suggest that the DOPC bilayer is more resistant to the deleterious effects of DMSO, both increasing the stability of the membranes and decreasing the rate at which DMSO diffuses across the membrane. In this way, the work highlights the importance of investigating the lipid composition of cell membranes when characterizing the effects of cryosolvents. |
| first_indexed | 2025-11-14T08:54:05Z |
| format | Journal Article |
| id | curtin-20.500.11937-38355 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T08:54:05Z |
| publishDate | 2012 |
| publisher | American Chemical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-383552017-09-13T14:13:44Z Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes Hughes, Zak Mark, A. Mancera, Ricardo Molecular dynamics simulations have been used to investigate the effect of DMSO on 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) phospholipid bilayers. The concentration of DMSO was varied between 0 and 25.0 mol %. For both lipids, DMSO causes the membrane to expand in the plane of the membrane while thinning normal to that plane. Above a critical concentration, pores in the membrane form spontaneously, and if the concentration is increased further, then the bilayer structure is destroyed. Even at concentrations below those required to induce pores, DMSO readily diffuses across the bilayers. The free-energy profile associated with the diffusion of a DMSO molecules across the membrane has been calculated. The simulations suggest that the DOPC bilayer is more resistant to the deleterious effects of DMSO, both increasing the stability of the membranes and decreasing the rate at which DMSO diffuses across the membrane. In this way, the work highlights the importance of investigating the lipid composition of cell membranes when characterizing the effects of cryosolvents. 2012 Journal Article http://hdl.handle.net/20.500.11937/38355 10.1021/jp3035538 American Chemical Society restricted |
| spellingShingle | Hughes, Zak Mark, A. Mancera, Ricardo Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes |
| title | Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes |
| title_full | Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes |
| title_fullStr | Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes |
| title_full_unstemmed | Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes |
| title_short | Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes |
| title_sort | molecular dynamics simulations of the interactions of dmso with dppc and dopc phospholipid membranes |
| url | http://hdl.handle.net/20.500.11937/38355 |