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Lipid Microdomains: Structural Correlations, Fluctuations, and Formation Mechanisms

Physical Review Letters 2010年第11期104卷 118101-118101页

作者： Jun Fan Maria Sammalkorpi Mikko Haataja Department of Mechanical and Aerospace Engineering Princeton Institute for the Science and Technology of Materials (PRISM) Program in Applied and Computational Mathematics (PACM) Princeton University Princeton New Jersey 08544 USA

Compositional lipid microdomains (“lipid rafts”) in mammalian plasma membranes are believed to facilitate many important cellular processes. While several physically distinct scenarios predicting the presence of finite-sized microdomains in vivo have been proposed in the past, direct experimental verification or falsification of model predictions has remained elusive. Herein, we demonstrate that the combination of the spatial correlation and temporal fluctuation spectra of the lipid domains can be employed to unambiguously differentiate between the existing theoretical scenarios. Furthermore, the differentiation of the raft formation mechanisms using this methodology can be achieved by collecting data at physiologically relevant conditions without the need to tune control parameters.

关键词： Cell membranes

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Domain Formation in the Plasma Membrane: Roles of Nonequilibrium Lipid Transport and Membrane Proteins

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Physical Review Letters 2008年第17期100卷 178102-178102页

作者： Jun Fan Maria Sammalkorpi Mikko Haataja Department of Mechanical and Aerospace Engineering Princeton Institute for the Science and Technology of Materials (PRISM) and Program in Applied and Computational Mathematics (PACM) Princeton University Princeton New Jersey 08544 USA

Compositional lipid domains (“lipid rafts”) in plasma membranes are believed to be important components of many cellular processes. The mechanisms by which cells regulate the sizes and lifetimes of these spatially extended domains are poorly understood at the moment. Here we show that the competition between phase separation in an immiscible lipid system and active cellular lipid transport processes naturally leads to the formation of such domains. Furthermore, we demonstrate that local interactions with immobile membrane proteins can spatially localize the rafts and lead to further clustering.

关键词： Lipids

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Influence of nonequilibrium lipid transport, membrane compartmentalization, and membrane proteins on the lateral organization of the plasma membrane

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Physical Review E 2010年第1期81卷 011908-011908页

Compositional lipid domains (lipid rafts) in plasma membranes are believed to be important components of many cellular processes. The mechanisms by which cells regulate the sizes, lifetimes, and spatial localization of these domains are rather poorly understood at the moment. We propose a robust mechanism for the formation of finite-sized lipid raft domains in plasma membranes, the competition between phase separation in an immiscible lipid system and active cellular lipid transport processes naturally leads to the formation of such domains. Simulations of a continuum model reveal that the raft size distribution is broad and the average raft size is strongly dependent on the rates of cellular and interlayer lipid transport processes. We demonstrate that spatiotemporal variations in the recycling may enable the cell to localize larger raft aggregates at specific parts along the membrane. Moreover, we show that membrane compartmentalization may further facilitate spatial localization of the raft domains. Finally, we demonstrate that local interactions with immobile membrane proteins can spatially localize the rafts and lead to further clustering.

关键词： Cell membranes

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Comprehensive analysis of compositional interface fluctuations in planar lipid bilayer membranes

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Physical Review E 2011年第5期84卷 051903-051903页

作者： Tao Han Mikko Haataja Department of Mechanical and Aerospace Engineering Princeton Institute for the Science and Technology of Materials (PRISM) and Program in Applied and Computational Mathematics (PACM) Princeton University Princeton New Jersey 08544 USA

In this paper we present a comprehensive analysis of line tension-driven compositional interface fluctuations in planar lipid bilayer membranes. Our starting point is the advective Cahn-Hilliard equation for the local lipid composition in symmetric membranes, which explicitly incorporates both advective and diffusive lipid transport processes, and which is coupled to the continuum hydrodynamic equations governing the flow behavior of the membrane and surrounding solvent with finite subphase thickness. In order to extract the interface dynamics from the continuum phase-field formalism, we first derive the appropriate sharp-interface limit equations. We then carry out a linear perturbation analysis for the relaxational dynamics of small-amplitude sinusoidal interface fluctuations to yield the general dispersion relation ωk as a function of perturbation wave number k. The resulting expression incorporates the effects of diffusive and advective lipid transport processes within the membrane, viscous or viscoelastic membrane properties, coupling between membrane and solvent, and inertial effects within the membrane and solvent. It is shown that previously considered scenarios naturally emerge as limiting cases of the general result. Furthermore, we discuss two additional scenarios amenable to analysis, one in which the inertia of the solvent is relevant, and another one in which the membrane displays significant viscoelastic properties. Finally, we numerically evaluate the general dispersion relation for three representative model membrane systems.

关键词： BILAYER lipid membranes FLUCTUATIONS (Physics) PERTURBATION (mathematics) VISCOELASTICITY HYDRODYNAMICS

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Critical dynamics in multicomponent lipid membranes

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Physical Review E 2009年第2期80卷 020902(R)-020902(R)页

作者： Mikko Haataja Department of Mechanical and Aerospace Engineering Princeton Institute for the Science and Technology of Materials (PRISM) and Program in Applied and Computational Mathematics (PACM) Princeton University Princeton New Jersey 08544 USA

The formation and dynamics of spatially extended compositional domains in multicomponent lipid membranes both in vivo and in vitro lie at the heart of many important biological and biophysical phenomena. While the thermodynamic basis for domain formation has been explored extensively in the past, the roles of membrane and exterior fluid hydrodynamics on domain formation kinetics have received less attention. A case in point is the impact of hydrodynamics on the dynamics of compositional heterogeneities in lipid membranes in the vicinity of a critical point. In this Rapid Communication it is argued that the asymptotic dynamic behavior of a lipid membrane system in the vicinity of a critical point is strongly influenced by hydrodynamic interactions. More specifically, a mode-coupling argument is developed which predicts a scaling behavior of lipid transport coefficients near the critical point for both symmetric and asymmetric bilayers immersed in a bulk fluid.

关键词： Hydrodynamics

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Hydrodynamic interaction between overlapping domains during recurrence of registration within planar lipid bilayer membranes

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Physical Review E 2014年第3期89卷 032717-032717页

作者： Tao Han Trevor P. Bailey Mikko Haataja Department of Mechanical and Aerospace Engineering Princeton Institute for the Science and Technology of Materials (PRISM) and Program in Applied and Computational Mathematics (PACM) Princeton University Princeton New Jersey 08544 USA

Due to a thermodynamic coupling between the two leaflets comprising a lipid bilayer, compositional lipid domains residing within opposing leaflets are often found in registry. If the system is perturbed by displacing one domain relative to the other, diffusive and advective lipid fluxes are established to restore equilibrium and reestablish domain overlap. In this work, we focus on the advective part of the process, and first derive an analytical expression for the hydrodynamic drag coefficient associated with the advective flow for the special case of perfect domain overlap. The resulting expression identifies parameter regions where sliding friction between the leaflets dominates over viscous dissipation within the leaflets or vice versa. It is shown that in all practically relevant cases, sliding friction between the leaflets is the dominant factor. Finally, we investigate the domain separation dependence of the hydrodynamic drag coefficient via direct simulations of a continuum diffuse interface model, and provide useful empirical expressions for its behavior.

关键词： HYDRODYNAMICS BILAYER lipid membranes DRAG coefficient ENERGY dissipation SLIDING friction FLUX (Energy)

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Pair correlation function characteristics of nearly jammed disordered and ordered hard-sphere packings

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Physical Review E 2005年第1期71卷 011105-011105页

作者： Aleksandar Donev Salvatore Torquato Frank H. Stillinger Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA PRISM Princeton University Princeton New Jersey 08544 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA

We study the approach to jamming in hard-sphere packings and, in particular, the pair correlation function g2(r) around contact, both theoretically and computationally. Our computational data unambiguously separate the narrowing δ-function contribution to g2 due to emerging interparticle contacts from the background contribution due to near contacts. The data also show with unprecedented accuracy that disordered hard-sphere packings are strictly isostatic: i.e., the number of exact contacts in the jamming limit is exactly equal to the number of degrees of freedom, once rattlers are removed. For such isostatic packings, we derive a theoretical connection between the probability distribution of interparticle forces Pf(f), which we measure computationally, and the contact contribution to g2. We verify this relation for computationally generated isostatic packings that are representative of the maximally random jammed state. We clearly observe a maximum in Pf and a nonzero probability of zero force, shedding light on long-standing questions in the granular-media literature. We computationally observe an unusual power-law divergence in the near-contact contribution to g2, persistent even in the jamming limit, with exponent −0.4 clearly distinguishable from previously proposed inverse-square-root divergence. Additionally, we present high-quality numerical data on the two discontinuities in the split-second peak of g2 and use a shared-neighbor analysis of the graph representing the contact network to study the local particle clusters responsible for the peculiar features. Finally, we present the computational data on the contact contribution to g2 for vacancy-diluted fcc crystal packings and also investigate partially crystallized packings along the transition from maximally disordered to fully ordered packings. We find that the contact network remains isostatic even when ordering is present. Unlike previous studies, we find that ordering has a significant impact on the sh

关键词： MOLECULAR-DYNAMICS SIMULATION DISK PACKINGS CRYSTALLIZATION DISTRIBUTIONS GENERATION PARTICLES PRESSURE

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Designed interaction potentials via inverse methods for self-assembly

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Physical Review E 2006年第1期73卷 011406-011406页

作者： Mikael Rechtsman Frank Stillinger Salvatore Torquato Department of Physics Princeton University Princeton New Jersey 08544 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics and PRISM Princeton New Jersey 08544 USA

We formulate statistical-mechanical inverse methods in order to determine optimized interparticle interactions that spontaneously produce target many-particle configurations. Motivated by advances that give experimentalists greater and greater control over colloidal interaction potentials, we propose and discuss two computational algorithms that search for optimal potentials for self-assembly of a given target configuration. The first optimizes the potential near the ground state and the second near the melting point. We begin by applying these techniques to assembling open structures in two dimensions (square and honeycomb lattices) using only circularly symmetric pair interaction potentials; we demonstrate that the algorithms do indeed cause self-assembly of the target lattice. Our approach is distinguished from previous work in that we consider (i) lattice sums, (ii) mechanical stability (phonon spectra), and (iii) annealed Monte Carlo simulations. We also devise circularly symmetric potentials that yield chainlike structures as well as systems of clusters.

关键词： THERMAL-EXPANSION MICROSTRUCTURES SYSTEM PORES MODEL

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Unexpected Density Fluctuations in Jammed Disordered Sphere Packings

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Physical Review Letters 2005年第9期95卷 090604-090604页

作者： Aleksandar Donev Frank H. Stillinger Salvatore Torquato Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA PRISM Princeton University Princeton New Jersey 08544 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA

We computationally study jammed disordered hard-sphere packings as large as a million particles. We show that the packings are saturated and hyperuniform, i.e., that local density fluctuations grow only as a logarithmically augmented surface area rather than the volume of the window. The structure factor shows an unusual nonanalytic linear dependence near the origin, S(k)∼|k|. In addition to exponentially damped oscillations seen in liquids, this implies a weak power-law tail in the total correlation function, h(r)∼−r−4, and a long-ranged direct correlation function c(r).

关键词： .saturated power-law structure factor hard-sphere damped sphere packings jammed hyperuniform local density fluctuations nonanalytic direct correlation function

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Optimized Interactions for Targeted Self-Assembly: Application to a Honeycomb Lattice

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Physical Review Letters 2005年第22期95卷 228301-228301页

作者： Mikael C. Rechtsman Frank H. Stillinger Salvatore Torquato Department of Physics Princeton University Princeton New Jersey 08544 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics and PRISM Princeton University Princeton New Jersey 08544 USA

We devise an inverse statistical-mechanical methodology to find optimized interaction potentials that lead spontaneously to a target many-particle configuration. Target structures can possess varying degrees of disorder, thus extending the traditional idea of self-assembly to incorporate both amorphous and crystalline structures as well as quasicrystals. For illustration purposes, our computational technique is applied to yield an optimized isotropic (nondirectional) pair potential that spontaneously yields the three-coordinated honeycomb lattice as the ground state structure in two dimensions. This target choice is motivated by its three-dimensional analog, the diamond lattice, which is known to possess desirable photonic band gap properties.

关键词： .honeycomb inverse PRL week ending pair potential spontaneously diamond lattice

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