Anisotropic line tension of domains in lipid monolayers

Velasco, Enrique; Mederos, L.

doi:10.1103/physreve.100.032413

Cited by 3 publications

(3 citation statements)

References 38 publications

(51 reference statements)

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“…41,42 Line-tension anisotropy has been obtained recently by a thermodynamically consistent density functional theory based on a microscopic interaction model. 43 Also, visual inspection of the domains shows that the sign of the curvature may be an important ingredient in theoretical models.…”

Section: Discussionmentioning

confidence: 99%

“…Nonspherical shapes may be induced by competition between various relevant forces, more importantly vdW forces showing up as a line tension, and forces from perpendicular dipoles. The strong alignment of lipid chains along domain boundaries might imply the presence of a significant anisotropic line tension, which should be incorporated to the theoretical models. , Line-tension anisotropy has been obtained recently by a thermodynamically consistent density functional theory based on a microscopic interaction model . Also, visual inspection of the domains shows that the sign of the curvature may be an important ingredient in theoretical models.…”

Section: Discussionmentioning

confidence: 99%

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Molecular Ordering in Lipid Monolayers: An Atomistic Simulation

et al. 2019

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We report on atomistic simulations of DPPC lipid monolayers using the CHARMM36 lipid force field and four-point OPC water model. The entire two-phase region where domains of the 'liquidcondensed' (LC) phase coexist with domains of the 'liquid-expanded' (LE) phase has been explored.The simulations are long enough that the complete phase-transition stage, with two domains coexisting in the monolayer, is reached in all cases. Also, system sizes used are larger than in previous works. As expected, domains of the minority phase are elongated, emphasizing the importance of anisotropic van der Waals and/or electrostatic dipolar interactions in the monolayer plane. The molecular structure is quantified in terms of distribution functions for the hydrocarbon chains and the PN dipoles. In contrast to previous work, where average distributions are calculated, distributions are here extracted for each of the coexisting phases by first identifying lipid molecules that belong to either LC or LE regions. The three-dimensional distributions show that the average tilt angle of the chains with respect to the normal outward direction is (39.0 ± 0.1) • in the LC phase.In the case of the PN dipoles the distributions indicate a tilt angle of (110.8 ± 0.5) • in the LC phase and (112.5 ± 0.5) • in the LE phase. These results are quantitatively different from previous works, which indicated a smaller normal component of the PN dipole. Also, the distributions of the monolayer-projected chains and PN dipoles have been calculated. Chain distributions peak along a particular direction in the LC domains, while they are uniform in the LE phase. Long-range ordering associated with the projected PN dipoles is absent in both phases. These results strongly suggest that LC domains do not exhibit dipolar ordering in the plane of the monolayer, the effect of these components being averaged out at short distances. Therefore, the only relevant component of the molecular dipoles, as regards both intra-and long-range interdomain interactions, is normal to the monolayer. Also, the local orientation of chain projections is almost constant in LC domains and points in the direction along which domains are elongated, suggesting that the line tension driving the phase transition is anisotropic with respect to the interfacial domain boundary. Both van der Waals interactions and interactions from normal dipolar components seem to contribute to an anisotropic line tension, with dipolar in-plane components playing a negligible role. 29 Mohammad-Aghaie, D.; Bresme, F. Force-field Dependence on the Liquid-Expanded to Liquid-Condensed Transition in DPPC Monolayers. Mol. Simul. 2016, 42, 391-397. 30 Baoukina, S.; Monticelli, L.; Marrink, S. J.; Tieleman, D. P. Pressure-Area Isotherm of a Lipid Monolayer from Molecular Dynamics Simulations. Langmuir 2007, 23, 12617-12623. 31 Choe, S.; Chang, R.; Jeon, J.; Violi, A. Molecular Dynamics Study of a Pulmonary Surfactant Film interacting with a Carbonaceous Nanoparticle. Biophys. J. 2008, 95, 4102-4114. 32 Hauser, H.; Pascher...

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Molecular Ordering in Lipid Monolayers: An Atomistic Simulation

et al. 2019

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“…The film thickness can though be estimated by making assumptions about the film refractive index and density [141]. A further caveat of the approach is that the technique is highly sensitive to film anisotropy, hence simple model assumptions (involving an isotropic film) tend to break down for lipid systems according to their phase [142,143]. Indeed, the same is true at the solid-liquid interface but the problem is usually not considered in the data analysis.…”

Section: Qcm-d Measurements Indicate Three Characteristic Features Associated With Completionmentioning

confidence: 99%

Design and use of model membranes to study biomolecular interactions using complementary surface-sensitive techniques

Clifton

Campbell

Sebastiani

et al. 2020

Advances in Colloid and Interface Science

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Highlights• Model biomembranes at surfaces are useful to study biomolecular interactions • The model membrane complexity can be adapted from one to multiple components • Implementations range from lipid monolayers to a range of supported bilayers • Complementary surface-sensitive techniques allow studying model membranes • Information accessible is reviewed via the use of the peptide Melittin

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Unusual properties of the electric double layer in an extremely narrow nanotube. A grand canonical Monte Carlo and classical DFT study

Zhou

Lamperski

2022

Journal of Physics and Chemistry of Solids

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Anisotropic line tension of domains in lipid monolayers

Cited by 3 publications

References 38 publications

Molecular Ordering in Lipid Monolayers: An Atomistic Simulation

Molecular Ordering in Lipid Monolayers: An Atomistic Simulation

Design and use of model membranes to study biomolecular interactions using complementary surface-sensitive techniques

Unusual properties of the electric double layer in an extremely narrow nanotube. A grand canonical Monte Carlo and classical DFT study

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