Laboratory of Bioelectrochemistry, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31/4 Leninskiy Prospekt, Moscow 119071, Russia.
J Chem Phys. 2022 Aug 21;157(7):074902. doi: 10.1063/5.0096536.
A wide class of antimicrobial amphipathic peptides is aimed to selectively form through pores in bacterial membranes. The partial incorporation of the peptides into the lipid monolayer leads to elastic deformation of the membrane. The deformation influences both the adsorption of the peptides and their lateral interaction. Detailed study of pore formation mechanisms requires an accurate determination of the surface concentration of the peptides at their given bulk concentration. Widely used methods to register the adsorption are atomic force microscopy (AFM), surface plasmon resonance refractometry (SPRR), and inner field compensation (IFC). AFM and SPRR utilize membranes deposited onto a solid support, while IFC operates with model membranes under substantial lateral tension. Here, we theoretically studied the effect of the solid support and lateral tension on the elastic deformations of the membrane induced by partially incorporated amphipathic peptides and thus on the peptide adsorption energy and lateral interaction. We demonstrated that, under conditions typical for AFM, SPRR, and IFC, the adsorption energy can increase by up to 1.5 kT per peptide leading to about 4 times decreased surface concentration as compared to free-standing tensionless membranes. In addition, the effective lateral size of the peptide molecule increases by about 10%, which can have an impact on the quantitative description of the adsorption isotherms. Our results allow estimating the effects of the solid support and lateral tension on the adsorption and interaction of amphipathic peptides at the membrane surface and taking them into account in interpretation of experimental observations.
一类广泛的抗菌两亲肽旨在选择性地在细菌膜中形成孔。这些肽的部分掺入脂质单层会导致膜的弹性变形。这种变形会影响肽的吸附及其侧向相互作用。为了详细研究孔形成机制,需要在给定的体相浓度下准确确定肽在表面的浓度。广泛使用的注册吸附的方法是原子力显微镜 (AFM)、表面等离子体共振折射仪 (SPRR) 和内部场补偿 (IFC)。AFM 和 SPRR 利用沉积在固体支撑物上的膜,而 IFC 则在大的横向张力下对模型膜进行操作。在这里,我们从理论上研究了固体支撑物和横向张力对部分掺入的两亲肽引起的膜弹性变形的影响,从而研究了肽吸附能和侧向相互作用。我们证明,在典型的 AFM、SPRR 和 IFC 条件下,吸附能可增加多达 1.5 kT/个肽,导致与无张力自由支撑膜相比,表面浓度降低约 4 倍。此外,肽分子的有效侧向尺寸增加约 10%,这可能会对吸附等温线的定量描述产生影响。我们的结果允许估计固体支撑物和横向张力对膜表面上两亲肽吸附和相互作用的影响,并在解释实验观察结果时考虑这些影响。