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折叠结构作为具有各向异性表面特性的核心材料。

Foldecture as a core material with anisotropic surface characteristics.

机构信息

Molecular-Level Interface Research Center, Department of Chemistry, ‡Graduate School of EEWS, and §Department of Chemistry, KAIST , Daejeon 305-701, Korea.

出版信息

J Am Chem Soc. 2015 Feb 18;137(6):2159-62. doi: 10.1021/ja510840v. Epub 2015 Feb 4.

Abstract

The synthesis of microscale, polyhedrally shaped, soft materials with anisotropic surface functionality by a bottom-up approach remains a significant challenge. Herein we report a microscale molecular architecture (foldecture) with facet-dependent surface characteristics that can potentially serve as a well-defined catalytic template. Rhombic rod shaped foldectures with six facets were obtained by the aqueous self-assembly of helical β-peptide foldamers with a C-terminal carboxylic acid. An analysis of the molecular packing by X-ray diffraction revealed that carboxylic acid groups were exposed exclusively on the two (001) rhombic facets due to antiparallel packing of the helical peptides. A surface energy calculation by molecular dynamics simulation was performed to provide a plausible explanation for the development of anisotropy during foldecture formation. The expected facet-selective surface properties of the foldecture were experimentally confirmed by selective deposition of metal nanoparticles on the (001) facets, leading to a new class of sequentially constructed, heterogeneous "foldecture core" materials.

摘要

通过自下而上的方法合成具有各向异性表面功能的微尺度、多面体形状的软材料仍然是一个重大挑战。在此,我们报道了一种具有面依赖性表面特征的微尺度分子结构(折叠结构),它可能作为一种明确的催化模板。通过具有 C 端羧酸的螺旋 β-肽类构象体的水溶液自组装,得到了具有六个面的菱形棒状折叠结构。通过 X 射线衍射对分子堆积的分析表明,由于螺旋肽的反平行堆积,羧酸基团仅暴露在两个(001)菱形面上。通过分子动力学模拟进行表面能计算,为折叠结构形成过程中各向异性的发展提供了一个合理的解释。通过选择性地在(001)面上沉积金属纳米粒子,实验证实了折叠结构预期的面选择性表面特性,从而得到了一类新的顺序构建的、异质的“折叠核”材料。

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