scholarly journals Structural characterization of supramolecular hollow nanotubes with atomistic simulations and SAXS

2020 ◽  
Vol 22 (37) ◽  
pp. 21083-21093 ◽  
Author(s):  
Ilias Patmanidis ◽  
Alex H. de Vries ◽  
Tsjerk A. Wassenaar ◽  
Wenjun Wang ◽  
Giuseppe Portale ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Building Blocks ◽  
Atomistic Simulations ◽  
Self Assembled

Self-assembled nanostructures arise when building blocks spontaneously organize into ordered aggregates that exhibit different properties compared to the disorganized monomers.

scholarly journals Structural Characterization of Supramolecular Hollow Nanotubes with Atomistic Simulations and SAXS

2020 ◽  
Author(s):  
Ilias Patmanidis ◽  
Alex H. de Vries ◽  
Tsjerk A. Wassenaar ◽  
Wenjun Wang ◽  
Giuseppe Portale ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Optical Properties ◽  
Structural Characterization ◽  
Building Blocks ◽  
Structural Features ◽  
Cyanine Dye ◽  
Atomistic Simulations ◽  
Dynamics Simulations ◽  
Stable Structures

Self-assembled nanostructures arise when building blocks spontaneously organize into ordered aggregates that exhibit different properties compared to the disorganized monomers. Here, we study an amphiphilic cyanine dye (C8S3) that is known to self-assemble into doublewalled, hollow, nanotubes with interesting optical properties. The molecular packing of the dyes inside the nanotubes, however, remains elusive. To reveal the structural features of the C8S3 nanotubes, we performed atomistic Molecular Dynamics simulations of preformed bilayers and nanotubes. We find that different packing arrangements lead to stable structures, in which the tails of the C8S3 molecules are interdigitated. Our results are verified by SAXS experiments. Together our data provide a detailed structural characterization of the C8S3 nanotubes. Furthermore, our approach was able to resolve the ambiguity inherent from cryo-TEM measurements in calculating the wall thickness of similar systems. The insights obtained are expected to be generally useful for understanding and designing other supramolecular assemblies.<br>

scholarly journals Structural Characterization of Supramolecular Hollow Nanotubes with Atomistic Simulations and SAXS

2020 ◽  
Author(s):  
Ilias Patmanidis ◽  
Alex H. de Vries ◽  
Tsjerk A. Wassenaar ◽  
Wenjun Wang ◽  
Giuseppe Portale ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Optical Properties ◽  
Structural Characterization ◽  
Building Blocks ◽  
Structural Features ◽  
Cyanine Dye ◽  
Atomistic Simulations ◽  
Dynamics Simulations ◽  
Stable Structures

Self-assembled nanostructures arise when building blocks spontaneously organize into ordered aggregates that exhibit different properties compared to the disorganized monomers. Here, we study an amphiphilic cyanine dye (C8S3) that is known to self-assemble into doublewalled, hollow, nanotubes with interesting optical properties. The molecular packing of the dyes inside the nanotubes, however, remains elusive. To reveal the structural features of the C8S3 nanotubes, we performed atomistic Molecular Dynamics simulations of preformed bilayers and nanotubes. We find that different packing arrangements lead to stable structures, in which the tails of the C8S3 molecules are interdigitated. Our results are verified by SAXS experiments. Together our data provide a detailed structural characterization of the C8S3 nanotubes. Furthermore, our approach was able to resolve the ambiguity inherent from cryo-TEM measurements in calculating the wall thickness of similar systems. The insights obtained are expected to be generally useful for understanding and designing other supramolecular assemblies.<br>

scholarly journals Structural characterization of self-assembled quantum dot structures by X-ray diffraction techniques

1997 ◽  
Vol 306 (2) ◽  
pp. 198-204 ◽  
Author(s):  
A.A. Darhuber ◽  
J. Stangl ◽  
V. Holy ◽  
G. Bauer ◽  
A. Krost ◽  
...  
Keyword(s):  
Quantum Dot ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Self Assembled

Structural Characterization of Self-Assembled Multifunctional Binary Nanoparticle Superlattices

2006 ◽  
Vol 128 (11) ◽  
pp. 3620-3637 ◽  
Author(s):  
Elena V. Shevchenko ◽  
Dmitri V. Talapin ◽  
Christopher B. Murray ◽  
Stephen O'Brien
Keyword(s):  
Structural Characterization ◽  
Self Assembled ◽  
Nanoparticle Superlattices

Structural Characterization of Self-Assembled Multilayers by FTIR

1994 ◽  
Vol 6 (2) ◽  
pp. 122-126 ◽  
Author(s):  
Stacey F. Bent ◽  
Marcia L. Schilling ◽  
William L. Wilson ◽  
Howard E. Katz ◽  
A. L. Harris
Keyword(s):  
Structural Characterization ◽  
Self Assembled

Structural Characterization of 4-Bromostyrene Self-Assembled Monolayers on Si(111)

Langmuir ◽  
2007 ◽  
Vol 23 (4) ◽  
pp. 1905-1911 ◽  
Author(s):  
Rajiv Basu ◽  
Jui-Ching Lin ◽  
Chang-Yong Kim ◽  
Matthew J. Schmitz ◽  
Nathan L. Yoder ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled
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