Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and Nanotubes DOI
Mingfei Zhao, Shuai Zhang, Renyu Zheng

et al.

Biomacromolecules, Journal Year: 2023, Volume and Issue: 24(6), P. 2618 - 2632

Published: May 4, 2023

Peptoids (N-substituted glycines) are a group of highly controllable peptidomimetic polymers. Amphiphilic diblock peptoids have been engineered to assemble crystalline nanospheres, nanofibrils, nanosheets, and nanotubes with biochemical, biomedical, bioengineering applications. The mechanical properties peptoid nanoaggregates their relationship the emergent self-assembled morphologies relatively unexplored critical for rational design nanomaterials. In this work, we consider family amphiphilic consisting prototypical tube-former (Nbrpm6Nc6, NH2-capped hydrophobic block six N-((4-bromophenyl)methyl)glycine residues conjugated polar NH3(CH2)5CO tail), sheet-former (Nbrpe6Nc6, where comprises N-((4-bromophenyl)ethyl)glycine residues), an intermediate sequence that forms mixed structures ((NbrpeNbrpm)3Nc6). We combine all-atom molecular dynamics simulations atomic force microscopy determine 2D nanosheets relate these observed morphologies. find good agreement between our computational predictions experimental measurements Young's modulus nanosheets. A analysis bending along two axes planar reveals be more favorable axis in which stack by interdigitation side chains compared they form columnar crystals π-stacked chains. construct models Nbrpm6Nc6 tube-forming predict stability optimum measurements. theoretical model nanotube suggests is free energy minimum corresponding "Goldilocks" tube radius at capillary wave fluctuations wall minimized.

Language: Английский

Responsive pillar[n]arene materials DOI Creative Commons
De‐Hui Tuo, Tan‐Hao Shi, Shunsuke Ohtani

et al.

Deleted Journal, Journal Year: 2023, Volume and Issue: 2(1)

Published: Dec. 30, 2023

Abstract Intelligent materials with responsive behaviors toward external stimuli, such as light, temperature, pH, redox, and solvent have been increasingly fascinating. Reversible noncovalent interactions provide an efficient way to construct stimuli‐responsive materials. Macrocyclic compounds, cyclodextrins, cucurbit[ n ]urils, calix[ ]arenes, crown ethers, related macrocycles, are useful skeletons for constructing through host–guest interactions. Pillar[ ]arenes pillar‐shaped macrocyclic hosts developed by our groups in 2008, which the repeated 1,4‐dialkoxybenzene units connected methylene bridges at para position. The versatile functionality, easy modification, excellent size‐dependent complexation, adjustable electron density of cavity endow pillar[ properties compared other cyclic host molecules. Moreover, unique planar chirality inversion generated unit rotation make ideal platforms investigating inversion, induction, transformation. In this review, we describe topological, optical, chiroptical, supramolecular assemblies, solid‐state based on complexation structural regulation ]arenes.

Language: Английский

Citations

10

Programming interchangeable and reversible heterooligomeric protein self-assembly using a bifunctional ligand DOI Creative Commons
Su-young Son, Woon Ju Song

Chemical Science, Journal Year: 2024, Volume and Issue: 15(8), P. 2975 - 2983

Published: Jan. 1, 2024

This study illustrates that a carefully designed bifunctional linker can steer the construction of various protein heterooligomers without extensive sequence optimizations, expanding structural and functional diversity architectures.

Language: Английский

Citations

3

Programmable reconfiguration of one-dimensional supramolecular polymers into multidimensional topological nanostructures DOI Creative Commons
Zhen Geng,

Priscilla Lok-Yi Chiu,

Michael Ho‐Yeung Chan

et al.

Chem, Journal Year: 2024, Volume and Issue: 10(4), P. 1225 - 1239

Published: Feb. 23, 2024

Supramolecular polymers (SPs) formed by strong directional noncovalent interactions among molecular subunits possess high degrees of internal order, making them promising candidates for the construction one-dimensional (1D) sophisticated architectures. However, packing subunits, in turn, may limit processability their overall shape and dimensionality, which play significant roles determining properties nanomaterials. How to realize topological engineering SPs beyond dimensionality remains a challenging task. Here, we demonstrate that 1D crystalline positively charged organometallic complexes can be tailored into multidimensional loops adding oppositely block copolymers (BCPs), thereby triggering dynamic structural reconfiguration preformed SPs. The kinetics finely modulated, enabling one rationally fabricate heterostructures containing both rigid flexible constituent parts with unprecedented topologies (i.e., tri-block, penta-block, hepta-block, multi-segment, rod-loop, etc.), as well spatially distinct features.

Language: Английский

Citations

3

Hierarchical assembly of peptoids on MoS2 DOI
Shuai Zhang, Wenhao Zhou, Bradley Harris

et al.

Materials Today Physics, Journal Year: 2024, Volume and Issue: unknown, P. 101406 - 101406

Published: March 1, 2024

Language: Английский

Citations

3

Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and Nanotubes DOI
Mingfei Zhao, Shuai Zhang, Renyu Zheng

et al.

Biomacromolecules, Journal Year: 2023, Volume and Issue: 24(6), P. 2618 - 2632

Published: May 4, 2023

Peptoids (N-substituted glycines) are a group of highly controllable peptidomimetic polymers. Amphiphilic diblock peptoids have been engineered to assemble crystalline nanospheres, nanofibrils, nanosheets, and nanotubes with biochemical, biomedical, bioengineering applications. The mechanical properties peptoid nanoaggregates their relationship the emergent self-assembled morphologies relatively unexplored critical for rational design nanomaterials. In this work, we consider family amphiphilic consisting prototypical tube-former (Nbrpm6Nc6, NH2-capped hydrophobic block six N-((4-bromophenyl)methyl)glycine residues conjugated polar NH3(CH2)5CO tail), sheet-former (Nbrpe6Nc6, where comprises N-((4-bromophenyl)ethyl)glycine residues), an intermediate sequence that forms mixed structures ((NbrpeNbrpm)3Nc6). We combine all-atom molecular dynamics simulations atomic force microscopy determine 2D nanosheets relate these observed morphologies. find good agreement between our computational predictions experimental measurements Young's modulus nanosheets. A analysis bending along two axes planar reveals be more favorable axis in which stack by interdigitation side chains compared they form columnar crystals π-stacked chains. construct models Nbrpm6Nc6 tube-forming predict stability optimum measurements. theoretical model nanotube suggests is free energy minimum corresponding "Goldilocks" tube radius at capillary wave fluctuations wall minimized.

Language: Английский

Citations

8