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Yang, Sena,Jeon, Aram,Driver, Russell W.,Kim, Yeonwoo,Jeon, Eun Hee,Kim, Sehun,Lee, Hee-Seung,Lee, Hangil The Royal Society of Chemistry 2016 Physical chemistry chemical physics Vol.18 No.21
<P>We report the formation of both right- and left-handed chiral nanopores within a single domain during the self-assembly of an amino acid derivative on an inert Au(111) surface using STM. DFT calculations employed to rationalize this unusual result identified that intermolecular interactions between chiral, windmill-shaped tetramers are crucial for self-assembly.</P>
Structural analysis of the foldecture derived from racemic peptide foldamers
Gong, Jintaek,Eom, Jae-Hoon,Jeong, Rokam,Driver, Russell W.,Lee, Hee-Seung Elsevier 2017 SOLID STATE SCIENCES Vol.70 No.-
<P><B>Abstract</B></P> <P>The molecular packing structure of an elongated parallelogram plate shaped foldecture composed of a 1:1 racemic mixture of 11-helical peptide foldamers was resolved by powder X-ray diffraction (PXRD) analysis. A comprehensive Rietveld refinement procedure compensated for powder texture and identified the principal face of the foldecture. Each foldamer makes head-to-tail intermolecular hydrogen bonds, creating extended chains of single enantiomers that form a network of hydrophobic close contacts with foldamers of both the opposite and the same chiralities. An isosurface for anisotropic microstrain was calculated and found to be smallest along the x-axis, which is parallel to the network of intermolecular hydrogen bonds. Comparison with the single crystal structure found molecular packing motifs to be almost identical—a result infrequently observed in enantiopure foldectures. This is the first powder X-ray diffraction structural analysis of a foldecture composed of multiple components.</P> <P><B>Highlights</B></P> <P> <UL> <LI> The first example of the molecular packing structure of foldecture composed of multiple components was reported. </LI> <LI> The anisotropic microstrain analysis showed intermolecular interactions with the direction of racemic foldamers. </LI> <LI> The formation of enantiomeric pairs was proposed in the initial nucleation stage of the self-assembly process. </LI> </UL> </P>
Yoon, Eunyoung,Gong, Jintaek,Jung, Yoonchul,Lee, Wonchul,Driver, Russell W.,Lee, Hee-Seung The Royal Society of Chemistry 2016 Chemical communications Vol.52 No.30
<P>Herein we correlate secondary structure perturbation with changes in the solid-state molecular architectures of an elongated hexagonal plate-shaped foldecture derived from the self-assembly of rigid 12-helical beta-peptide foldamers to which a flexible C-terminus alpha-leucine moiety has been appended. This study provides the first complete characterization of the directional molecular packing patterns of individual foldamer components within a foldecture, from which a 3D molecular-level picture of the entire foldecture was unambiguously constructed.</P>
Foldecture as a Core Material with Anisotropic Surface Characteristics
Yoo, Sung Hyun,Eom, Taedaehyeong,Kwon, Sunbum,Gong, Jintaek,Kim, Jin,Cho, Sung June,Driver, Russell W.,Lee, Yunho,Kim, Hyungjun,Lee, Hee-Seung American Chemical Society 2015 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - Vol.137 No.6
<P>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 <I>C</I>-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.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/2015/jacsat.2015.137.issue-6/ja510840v/production/images/medium/ja-2014-10840v_0005.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/ja510840v'>ACS Electronic Supporting Info</A></P>