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231224s2015 xx |||||o 00| ||eng c |
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7 |
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|a 10.1021/la503399x
|2 doi
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|a pubmed25n0814.xml
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|a eng
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| 100 |
1 |
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|a Fu, Iris W
|e verfasserin
|4 aut
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| 245 |
1 |
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|a Solvent effects on kinetic mechanisms of self-assembly by peptide amphiphiles via molecular dynamics simulations
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|c 2015
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 10.03.2016
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|a Date Revised 13.01.2015
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Peptide amphiphiles are known to form a variety of distinctive self-assembled nanostructures (including cylindrical nanofibers in hydrogels) dependent upon the solvent conditions. Using a novel coarse-grained model, large-scale molecular dynamics simulations are performed on a system of 800 peptide amphiphiles (sequence, palmitoyl-Val3Ala3Glu3) to elucidate kinetic mechanisms of molecular assembly as a function of the solvent conditions. The assembly process is found to occur via a multistep process with transient intermediates that ultimately leads to the stabilized nanostructures including open networks of β-sheets, cylindrical nanofibers, and elongated micelles. Different kinetic mechanisms are compared in terms of peptide secondary structures, solvent-accessible surface area, radius of gyration, relative shape anisotropy, intra/intermolecular interactions, and aggregate size dynamics to provide insightful information for the design of functional biomaterials
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| 650 |
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|a Journal Article
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| 650 |
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|a Research Support, Non-U.S. Gov't
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| 650 |
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4 |
|a Research Support, U.S. Gov't, Non-P.H.S.
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| 650 |
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7 |
|a Peptides
|2 NLM
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| 650 |
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7 |
|a Solvents
|2 NLM
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| 700 |
1 |
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|a Markegard, Cade B
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Nguyen, Hung D
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1985
|g 31(2015), 1 vom: 09., Seite 315-24
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|x 1520-5827
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|g volume:31
|g year:2015
|g number:1
|g day:09
|g pages:315-24
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|u http://dx.doi.org/10.1021/la503399x
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