Materials Science Division, Physical and Life Science Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
J Phys Chem Lett. 2021 Jul 8;12(26):6126-6133. doi: 10.1021/acs.jpclett.1c01033. Epub 2021 Jun 28.
Fully synthetic peptoid membranes are known to mimic important features of biological membranes, with several advantages over other biomimetic membranes. A fundamental understanding of how the individual peptoid amphiphiles assemble in solution to form the bilayer membrane is key to unlocking their versatility for application in a broad range of processes. In this study, in situ X-ray scattering and molecular dynamics simulations are used to understand the early stages of assembly of three different peptoids that exhibit distinctly different crystallization kinetics. The in situ measurements reveal that the peptoids aggregate first into a nascent phase that is less crystalline than the assembled peptoid membrane. Anisotropic aromatic interactions are determined to be the dominant driving force in the early stages of membrane formation. These results provide key insights into how the peptoid assembly may be manipulated during the early stages of assembly and nucleation and growth.
全合成肽类脂膜已知可模拟生物膜的重要特征，与其他仿生膜相比具有多个优势。深入了解单个肽类两亲物在溶液中组装形成双层膜的方式对于释放它们在广泛的过程中的多功能性至关重要。在这项研究中，原位 X 射线散射和分子动力学模拟用于理解表现出明显不同结晶动力学的三种不同肽类的早期组装阶段。原位测量表明，肽类首先聚集到比组装的肽类膜结晶度低的初生相。各向异性芳族相互作用被确定为膜形成早期阶段的主要驱动力。这些结果为在组装和成核与生长的早期阶段如何操纵肽类组装提供了重要的见解。
