A Molecular Dynamics Study of the Response of Lipid Bilayers and Monolayers to Trehalose
Surface tensions evaluated from molecular dynamics simulations of fully hydrated dipalmitoylphosphatidylcholine bilayers and monolayers at surface areas/lipid of 54, 64, and 80 Å 2 are uniformly lowered 4–8 dyn/cm upon addition of trehalose in a 1:2 trehalose/lipid ratio. Constant surface tension si...
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| Veröffentlicht in: | Biophysical journal 2005-12, Vol.89 (6), p.4111-4121 |
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| creator | Skibinsky, Anna Venable, Richard M. Pastor, Richard W. |
| description | Surface tensions evaluated from molecular dynamics simulations of fully hydrated dipalmitoylphosphatidylcholine bilayers and monolayers at surface areas/lipid of 54, 64, and 80
Å
2 are uniformly lowered 4–8
dyn/cm upon addition of trehalose in a 1:2 trehalose/lipid ratio. Constant surface tension simulations of bilayers yield the complementary result: an increase in surface area consistent with the surface pressure-surface area (
π-A) isotherms. Hydrogen bonding by trehalose, replacement of waters in the headgroup region, and modulation of the dipole potential are all similar in bilayers and monolayers at the same surface area. These results strongly support the assumption that experimental measurements on the interactions of surface active components such as trehalose with monolayers can yield quantitative insight to their effects on bilayers. The simulations also indicate that the 20–30
dyn/cm difference in surface tension of the bilayer leaflet and monolayer arises from differences in the chain regions, not the headgroup/water interfaces. |
| doi_str_mv | 10.1529/biophysj.105.065953 |
| format | Article |
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Å
2 are uniformly lowered 4–8
dyn/cm upon addition of trehalose in a 1:2 trehalose/lipid ratio. Constant surface tension simulations of bilayers yield the complementary result: an increase in surface area consistent with the surface pressure-surface area (
π-A) isotherms. Hydrogen bonding by trehalose, replacement of waters in the headgroup region, and modulation of the dipole potential are all similar in bilayers and monolayers at the same surface area. These results strongly support the assumption that experimental measurements on the interactions of surface active components such as trehalose with monolayers can yield quantitative insight to their effects on bilayers. The simulations also indicate that the 20–30
dyn/cm difference in surface tension of the bilayer leaflet and monolayer arises from differences in the chain regions, not the headgroup/water interfaces.</description><identifier>ISSN: 0006-3495</identifier><identifier>EISSN: 1542-0086</identifier><identifier>DOI: 10.1529/biophysj.105.065953</identifier><identifier>PMID: 16183878</identifier><language>eng</language><publisher>United States: Elsevier Inc</publisher><subject>Computer Simulation ; Enzymes ; Lipid Bilayers - chemistry ; Lipids ; Membrane Fluidity ; Membranes ; Models, Chemical ; Models, Molecular ; Molecular biology ; Molecular Conformation ; Muscle and Contractility ; Phospholipids - chemistry ; Surface Properties ; Trehalose - chemistry</subject><ispartof>Biophysical journal, 2005-12, Vol.89 (6), p.4111-4121</ispartof><rights>2005 The Biophysical Society</rights><rights>Copyright Biophysical Society Dec 2005</rights><rights>Copyright © 2005, Biophysical Society 2005</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c550t-e2bbe4a63c25cdd65d9193187f7718974a89e8fb081bb732485b98818e257c423</citedby><cites>FETCH-LOGICAL-c550t-e2bbe4a63c25cdd65d9193187f7718974a89e8fb081bb732485b98818e257c423</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC1366976/pdf/$$EPDF$$P50$$Gpubmedcentral$$H</linktopdf><linktohtml>$$Uhttps://dx.doi.org/10.1529/biophysj.105.065953$$EHTML$$P50$$Gelsevier$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,885,3548,27923,27924,45994,53790,53792</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/16183878$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Skibinsky, Anna</creatorcontrib><creatorcontrib>Venable, Richard M.</creatorcontrib><creatorcontrib>Pastor, Richard W.</creatorcontrib><title>A Molecular Dynamics Study of the Response of Lipid Bilayers and Monolayers to Trehalose</title><title>Biophysical journal</title><addtitle>Biophys J</addtitle><description>Surface tensions evaluated from molecular dynamics simulations of fully hydrated dipalmitoylphosphatidylcholine bilayers and monolayers at surface areas/lipid of 54, 64, and 80
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π-A) isotherms. Hydrogen bonding by trehalose, replacement of waters in the headgroup region, and modulation of the dipole potential are all similar in bilayers and monolayers at the same surface area. These results strongly support the assumption that experimental measurements on the interactions of surface active components such as trehalose with monolayers can yield quantitative insight to their effects on bilayers. The simulations also indicate that the 20–30
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Å
2 are uniformly lowered 4–8
dyn/cm upon addition of trehalose in a 1:2 trehalose/lipid ratio. Constant surface tension simulations of bilayers yield the complementary result: an increase in surface area consistent with the surface pressure-surface area (
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dyn/cm difference in surface tension of the bilayer leaflet and monolayer arises from differences in the chain regions, not the headgroup/water interfaces.</abstract><cop>United States</cop><pub>Elsevier Inc</pub><pmid>16183878</pmid><doi>10.1529/biophysj.105.065953</doi><tpages>11</tpages><oa>free_for_read</oa></addata></record> |
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| ispartof | Biophysical journal, 2005-12, Vol.89 (6), p.4111-4121 |
| issn | 0006-3495 1542-0086 |
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| source | MEDLINE; Cell Press Free Archives; ScienceDirect Journals (5 years ago - present); EZB-FREE-00999 freely available EZB journals; PubMed Central |
| subjects | Computer Simulation Enzymes Lipid Bilayers - chemistry Lipids Membrane Fluidity Membranes Models, Chemical Models, Molecular Molecular biology Molecular Conformation Muscle and Contractility Phospholipids - chemistry Surface Properties Trehalose - chemistry |
| title | A Molecular Dynamics Study of the Response of Lipid Bilayers and Monolayers to Trehalose |
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