The diffuse interface description of fluid lipid membranes captures key features of the hemifusion pathway and lateral stress profile

Matteo Bottacchiari, Mirko Gallo, Marco Bussoletti, Carlo Massimo Casciola
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Abstract

Topological transitions of lipid membranes are ubiquitous in key biological processes for cell life, like neurotransmission, fertilization, morphogenesis, and viral infections. Despite this, they are not well understood due to their multiscale nature, which limits the use of molecular models and calls for a mesoscopic approach such as the celebrated Canham-Helfrich one. Unfortunately, such a model cannot handle topological transitions, hiding the crucial involved forces and the appearance of the experimentally observed hemifused intermediates. In this work, we describe the membrane as a diffuse interface preserving the Canham-Helfrich elasticity. We show that pivotal features of the hemifusion pathway are captured by this mesoscopic approach, e.g. a (meta)stable hemifusion state and the fusogenic behavior of negative monolayer spontaneous curvatures. The membrane lateral stress profile is calculated as a function of the elastic rigidities, yielding a coarse-grained version of molecular models findings. Insights into the fusogenic mechanism are reported and discussed.
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流体脂膜的扩散界面描述捕捉到了半灌注途径和横向应力剖面的关键特征
脂质膜的拓扑转变在细胞生命的关键生物过程中无处不在,如神经传递、受精、形态发生和病毒感染。尽管如此,由于它们的多尺度性质,人们对它们的理解并不透彻,这限制了分子模型的使用,需要一种介观方法,如著名的 Canham-Helfrich 方法。遗憾的是,这种模型无法处理拓扑转换,从而隐藏了关键的参与力和实验观察到的半融合中间体的出现。在这项研究中,我们将膜描述为一个保留了坎纳姆-赫尔弗里希弹性的扩散界面。我们的研究表明,这种介观方法捕捉到了半融合途径的关键特征,例如(元)稳定的半融合状态和负单层自发曲率的融合行为。膜侧向应力曲线是作为弹性刚度的函数来计算的,它是分子模型研究结果的粗粒度版本。报告和讨论了对熔融机制的见解。
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