Parallel, homotetrameric coiled coils were computationally designed using 29 amino acid peptides. These parallel coiled coils, called “bundlemers”, have C₂ symmetry, with all N-termini displayed from one end of the nanoparticle and all C-termini from the opposite end. This anisotropic display of the peptide termini allowed for the functionalization of two sets of nanoparticles with either maleimide or thiol functionality at the N-terminal region of the constituent peptides. The thiol-Michael conjugation reaction between the N-terminal end of complementary bundlemer nanoparticles formed monodisperse, rigid bundlemer dimer, called “dibundlemer”, rods. The constituent, individual bundlemer nanoparticles were characterized with small-angle X-ray scattering (SAXS), Förster resonance energy transfer (FRET), and circular dichroism (CD) spectroscopy to confirm the parallel assembly of the coiled coils, consistent with the computational design. The dibundlemer rods were characterized with SAXS to reveal the uniform dibundlemer nature of the rods. Optical birefringence is observed in concentrated samples of the rods, with polarized optical microscopy (POM) revealing a nematic liquid crystalline behavior.

中文翻译：

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由计算设计的并联卷曲线圈构建块制成的均匀短棒的液晶行为


使用 29 种氨基酸肽对平行的同源四聚体卷曲螺旋进行计算设计。这些平行卷曲线圈称为“束状体”，具有 C₂ 对称性，所有 N 端都从纳米颗粒的一端显示，所有 C 端都从另一端显示。肽末端的这种各向异性显示允许在组成肽的 N 末端区域实现两组具有马来酰亚胺或巯基官能团的纳米颗粒的功能化。互补束聚体纳米颗粒的 N 端之间的巯基-迈克尔共轭反应形成单分散、刚性束聚体二聚体，称为“二聚体”棒。用小角 X 射线散射 （SAXS）、Förster 共振能量转移 （FRET） 和圆二色性 （CD） 光谱对组成、单个束聚体纳米颗粒进行表征，以确认卷曲线圈的并联组装，与计算设计一致。用 SAXS 对二聚体棒进行表征，以揭示棒的均匀二聚体性质。在棒材的浓缩样品中观察到光学双折射，偏振光学显微镜 （POM） 揭示了向列液晶行为。