Differentiating the mechanism of self-assembly in supramolecular polymers through computation

2019 ◽  
Vol 55 (26) ◽  
pp. 3773-3776 ◽  
Author(s):  
Divya B. Korlepara ◽  
Will R. Henderson ◽  
Ronald K. Castellano ◽  
Sundaram Balasubramanian

The mechanism by which monomers in solution, beyond a certain concentration or below a certain temperature, self-assemble to form one dimensional supramolecular polymers determines much of the bulk properties of the polymer.

RSC Advances ◽  
2014 ◽  
Vol 4 (56) ◽  
pp. 29485-29492 ◽  
Author(s):  
Jian Zhang ◽  
Yaowen Li ◽  
Laibing Wang ◽  
Michiya Fujiki ◽  
Xiaopeng Li ◽  
...  

Fluorogallium tetra-tert-butylphthalocyanine (ttbPcGaF) can self-organize into well-ordered cofacial structures to obtain one-dimensional (1D) supramolecular polymers in the solid state using a solution-coating technique. The ttbPcGaF-based BHJ OSC provided a profoundly improved power conversion efficiency (PCE) of 0.41%.


2021 ◽  
Vol 17 ◽  
pp. 97-104
Author(s):  
David Straßburger ◽  
Svenja Herziger ◽  
Katharina Huth ◽  
Moritz Urschbach ◽  
Rainer Haag ◽  
...  

The synthesis of a sulfate-modified dendritic peptide amphiphile and its self-assembly into one-dimensional rod-like architectures in aqueous medium is reported. The influence of the ionic strength on the supramolecular polymerization was probed via circular dichroism spectroscopy and cryogenic transmission electron microscopy. Physiological salt concentrations efficiently screen the charges of the dendritic building block equipped with eight sulfate groups and trigger the formation of rigid supramolecular polymers. Since multivalent sulfated supramolecular structures mimic naturally occurring L-selectin ligands, the corresponding affinity was evaluated using a competitive SPR binding assay and benchmarked to an ethylene glycol-decorated supramolecular polymer.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Richard Booth ◽  
Ignacio Insua ◽  
Sahnawaz Ahmed ◽  
Alicia Rioboo ◽  
Javier Montenegro

AbstractOne-dimensional (1D) supramolecular polymers are commonly found in natural and synthetic systems to prompt functional responses that capitalise on hierarchical molecular ordering. Despite amphiphilic self-assembly being significantly studied in the context of aqueous encapsulation and autopoiesis, very little is currently known about the physico-chemical consequences and functional role of 1D supramolecular polymerisation confined in aqueous compartments. Here, we describe the different phenomena that resulted from the chemically triggered supramolecular fibrillation of synthetic peptide amphiphiles inside water microdroplets. The confined connection of suitable dormant precursors triggered a physically autocatalysed chemical reaction that resulted in functional environmental responses such as molecular uptake, fusion and chemical exchange. These results demonstrate the potential of minimalistic 1D supramolecular polymerisation to modulate the behaviour of individual aqueous entities with their environment and within communities.


Author(s):  
Gourab Das ◽  
Sandeep Cherumukkil ◽  
Akhil Padmakumar ◽  
Vijay B. Banakar ◽  
Vakayil K. Praveen ◽  
...  

e-Polymers ◽  
2020 ◽  
Vol 20 (1) ◽  
pp. 317-327
Author(s):  
Chenliang Shi ◽  
Ling Lin ◽  
Yukun Yang ◽  
Wenjia Luo ◽  
Maoqing Deng ◽  
...  

AbstractThe influence of density of amino groups, nanoparticles dimension and pH on the interaction between end-functionalized polymers and nanoparticles was extensively investigated in this study. PS–NH2 and H2N–PS–NH2 were prepared using reversible addition–fragmentation chain transfer polymerization and atom transfer radical polymerization. Zero-dimensional carbon dots with sulfonate groups, one-dimensional cellulose nanocrystals with sulfate groups and two-dimensional graphene with sulfonate groups in the aqueous phase were added into the toluene phase containing the aminated PS. The results indicate that aminated PS exhibited the strongest interfacial activity after compounding with sulfonated nanoparticles at a pH of 3. PS ended with two amino groups performed better in reducing the water/toluene interfacial tension than PS ended with only one amino group. The dimension of sulfonated nanoparticles also contributed significantly to the reduction in the water/toluene interfacial tension. The minimal interfacial tension was 4.49 mN/m after compounding PS–NH2 with sulfonated zero-dimensional carbon dots.


2021 ◽  
Author(s):  
Gourab Das ◽  
Sandeep Cherumukkil ◽  
Akhil Padmakumar ◽  
Vijay B. Banakar ◽  
Vakayil K. Praveen ◽  
...  

2021 ◽  
Author(s):  
Lei Jin ◽  
Nerea Bilbao ◽  
Yang Lv ◽  
Xiao-Ye Wang ◽  
Soltani Paniz ◽  
...  

Graphene nanoribbons (GNRs), quasi-one-dimensional strips of graphene, exhibit a nonzero bandgap due to quantum confinement and edge effects. In the past decade, different types of GNRs with atomically precise structures...


2012 ◽  
Vol 48 (56) ◽  
pp. 7067 ◽  
Author(s):  
Qian Zhang ◽  
Lipeng He ◽  
Hui Wang ◽  
Cheng Zhang ◽  
Weisheng Liu ◽  
...  

Author(s):  
Dominic Vella ◽  
Emmanuel du Pontavice ◽  
Cameron L. Hall ◽  
Alain Goriely

Spherical neodymium–iron–boron magnets are permanent magnets that can be assembled into a variety of structures owing to their high magnetic strength. A one-dimensional chain of these magnets responds to mechanical loadings in a manner reminiscent of an elastic rod. We investigate the macroscopic mechanical properties of assemblies of ferromagnetic spheres by considering chains, rings and chiral cylinders of magnets. Based on energy estimates and simple experiments, we introduce an effective magnetic bending stiffness for a chain of magnets and show that, used in conjunction with classic results for elastic rods, it provides excellent estimates for the buckling and vibration dynamics of magnetic chains. We then use this estimate to understand the dynamic self-assembly of a cylinder from an initially straight chain of magnets.


Nanoscale ◽  
2012 ◽  
Vol 4 (21) ◽  
pp. 6814 ◽  
Author(s):  
Hidenobu Nakao ◽  
Shiho Tokonami ◽  
Taichi Hamada ◽  
Hiroshi Shiigi ◽  
Tsutomu Nagaoka ◽  
...  

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