Exploring the Impact of Tail Polarity on the Phase Behavior of Single Component and Mixed Lipid Monolayers Using a MARTINI Coarse-Grained Force Field
| العنوان: | Exploring the Impact of Tail Polarity on the Phase Behavior of Single Component and Mixed Lipid Monolayers Using a MARTINI Coarse-Grained Force Field |
|---|---|
| المؤلفون: | Surajith N. Wanasundara, Ala'a F. Eftaiha, Matthew F. Paige, Richard K. Bowles |
| المصدر: | The Journal of Physical Chemistry B. 120:7641-7651 |
| بيانات النشر: | American Chemical Society (ACS), 2016. |
| سنة النشر: | 2016 |
| مصطلحات موضوعية: | Phase transition, Single component, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Radial distribution function, 01 natural sciences, Force field (chemistry), 0104 chemical sciences, Surfaces, Coatings and Films, chemistry.chemical_compound, Molecular dynamics, Crystallography, chemistry, Chemical physics, Dipalmitoylphosphatidylcholine, Phase (matter), Monolayer, Materials Chemistry, Physical and Theoretical Chemistry, 0210 nano-technology |
| الوصف: | Coarse-grained molecular dynamics simulations have been used to investigate the effect of dipalmitoylphosphatidylcholine (DPPC) tail group polarity on the structural and phase behavior of both single component and binary mixed monolayers using the MARTINI force field. Surface pressure-area isotherms of single component systems indicate that DPPC monolayers become more expanded as a function of increasing tail group polarity, as observed in experimental measurements in the literature. A combination of radial distribution functions and tilt angle measurements indicate that increasing tail group polarity results in the formation of increasingly disordered monolayers. For the mixed monolayer systems, the time dependence of the radial distribution function as well as average cluster size measurements indicate that phase separation takes place between components of different tail group polarity when the monolayers undergo phase transition into disordered configurations. |
| تدمد: | 1520-5207 1520-6106 |
| DOI: | 10.1021/acs.jpcb.6b03970 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37df683a7ac805fd3aad18ee2a198761 https://doi.org/10.1021/acs.jpcb.6b03970 |
| رقم الانضمام: | edsair.doi.dedup.....37df683a7ac805fd3aad18ee2a198761 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 15205207 15206106 |
|---|---|
| DOI: | 10.1021/acs.jpcb.6b03970 |