X-ray analysis and calorimetry on phosphatidylcholine model membranes. The influence of length and position of acyl chains upon structure and phase behaviour

Stümpel, J.; Eibl, Hansjörg; Nicksch, Alfar

doi:10.1016/0005-2736(83)90410-8

Cited by 135 publications

(63 citation statements)

References 11 publications

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“…As we known, the phase transition in twodimension is quit different from that in three-dimension, which makes it rather attractive to researchers. It is found that lipid bilayers possess rich phase structures [75,76]. Although most biomembranes in living organisms are maintained in the fluid phase, both the pre-transition temperature and the maintransition temperature of some common bilayer lipids (such as DPPC) are close to the body temperature (35°C and 41°C), which make these phase transition has presumably some relevance for vital phenomena.…”

Section: D Phase Transformation In Lipid Bilayermentioning

confidence: 98%

Dissipative particle dynamic simulation study of lipid membrane

Guo

2010

Front. Chem. China

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The lipid membrane plays crucial roles in countless biologic processes, ranging from cell motility, endo-and exocytosis, and cell division to protein aggregation and trafficking. To gain a molecular insight in these biologic processes, the recently developed mesoscale simulation technique, dissipative particle dynamics (DPD) simulation, has become an invaluable tool. By providing a brief survey of existing atomistic and popular coarse-grained models used today in studying the dynamics (including vesicle formation and (protein-mediated) vesicle fusion) and phase behavior of lipid bilayers, this review illustrates how mesoscopic DPD models can be used to obtain a better understanding of these biologic processes currently inaccessible to atomistic and most coarse-grained models.

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Section: D Phase Transformation In Lipid Bilayermentioning

confidence: 98%

Dissipative particle dynamic simulation study of lipid membrane

Guo

2010

Front. Chem. China

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“…Phospholipid bilayers, even the simplest ones composed of only one lipid type, display a rich temperature phase behavior [132,133]. The stable phase at low temperature is the sub-gel phase, commonly labeled L c .…”

Section: Thermotropic Phase Behavior Of Lipid Bilayersmentioning

confidence: 99%

Mesoscopic models of biological membranes

Venturoli¹,

et al. 2006

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Phospholipids are the main components of biological membranes and dissolved in water these molecules self-assemble into closed structures, of which bilayers are the most relevant from a biological point of view. Lipid bilayers are often used, both in experimental and by theoretical investigations, as model systems to understand the fundamental properties of biomembranes. The properties of lipid bilayers can be studied at different time and length scales. For some properties it is sufficient to envision a membrane as an elastic sheet, while for others it is important to take into account the details of the individual atoms. In this review, we focus on an intermediate level, where groups of atoms are lumped into pseudo-particles to arrive at a coarse-grained, or mesoscopic, description of a bilayer, which is subsequently studied using molecular simulation.The aim of this review is to compare various strategies to coarse grain a biological membrane. The conclusion of this comparison is that there can be many valid different strategies, but that the results obtained by the various mesoscopic models are surprisingly consistent. A second objective of this review is to illustrate how mesoscopic models can be used to obtain a better understanding of experimental systems. The advantage of coarse-grained models is that these can be simulated very efficiently, so that phenomena involving large systems, or requiring a large number of simulations, can be studied in detail. This is illustrated with the study of the relation between the phase behavior of a membrane and the structure of the phospholipids, and the membrane structural changes due to molecules (such as alcohols, cholesterol and anesthetics) adsorbed to the membrane. We then discuss the effect of transmembrane peptides on the local structure of a membrane and the mechanism of vesicle fusion and fission.

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“…The temperature at which the main transition to the L R phase takes place increases with increasing tail length, as was also found experimentally. 32,36 At temperatures higher than T* ) 0.6, all of the bilayers are completely fluid, and above this temperature, the area per surfactant does not depend on tail length. According to Petrache et al, 30 the main effect of increasing chain length is on the bilayer thickness, which is in agreement with our results.…”

Section: Phase Behavior As Function Of Head-head Repulsion and Tail Lmentioning

confidence: 99%

Phase Behavior and Induced Interdigitation in Bilayers Studied with Dissipative Particle Dynamics

2003

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Bilayers formed by coarse-grained models of amphiphilic surfactants are studied using dissipative particle dynamics combined with a Monte Carlo scheme to achieve the natural state of a tensionless bilayer. We address the issue of the influence of the molecular structure and the level of coarse graining on the bilayer properties by studying two models of different complexity: a single tail and a double tail surfactant. We compute the area per surfactant, the bilayer thickness, and the orientational order parameters and show how their dependence on the surfactant structure and temperature. We reproduce the gel to liquid crystalline phase transition, and we study the conditions that induce a gel interdigitated phase in the bilayer. We show how the interdigitated state in a bilayer containing double-tail surfactants can be reproduced by adding an extra bead in the surfactant headgroup, which mimics an ester-linkage to the phosphate group. In a bilayer formed by single tail surfactants, we induce interdigitation by changing the strength of the repulsive interaction between the headgroups, which corresponds with adding salt to the system. We are then able to derive a phase diagram as function of temperature and repulsion parameter for surfactants of different chain lengths.

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X-ray analysis and calorimetry on phosphatidylcholine model membranes. The influence of length and position of acyl chains upon structure and phase behaviour

Cited by 135 publications

References 11 publications

Dissipative particle dynamic simulation study of lipid membrane

Dissipative particle dynamic simulation study of lipid membrane

Mesoscopic models of biological membranes

Phase Behavior and Induced Interdigitation in Bilayers Studied with Dissipative Particle Dynamics

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