A description of the formation and growth processes of CaTiO3 mesocrystals: a joint experimental and theoretical approach

2020 ◽  
Vol 5 (7) ◽  
pp. 1255-1266
Author(s):  
Mario L. Moreira ◽  
José Rafael Bordin ◽  
Juan Andrés ◽  
José A. Varela ◽  
Elson Longo
Keyword(s):  
Hydrothermal Synthesis ◽  
Theoretical Approach ◽  
Self Assembly ◽  
Theoretical Study ◽  
The Self ◽  
Growth Processes ◽  
Microwave Assisted ◽  
Assembly Mechanism

We report a combined experimental and theoretical study to rationalize the self-assembly mechanism of CaTiO3 mesocrystals through microwave-assisted hydrothermal synthesis.

scholarly journals Lanthanide Homobimetallic Triple-Stranded Helicates: Insight into the Self-Assembly Mechanism

2004 ◽  
Vol 2004 (1) ◽  
pp. 51-62 ◽  
Author(s):  
Mourad Elhabiri ◽  
Josef Hamacek ◽  
Jean-Claude G. Bünzli ◽  
Anne-Marie Albrecht-Gary
Keyword(s):  
Self Assembly ◽  
The Self ◽  
Assembly Mechanism ◽  
Insight Into

Efficient microwave-assisted hydrothermal synthesis of CuO sea urchin-like architectures via a mesoscale self-assembly

CrystEngComm ◽  
2010 ◽  
Vol 12 (6) ◽  
pp. 1696 ◽  
Author(s):  
Diogo P. Volanti ◽  
Marcelo O. Orlandi ◽  
Juan Andrés ◽  
Elson Longo
Keyword(s):  
Hydrothermal Synthesis ◽  
Sea Urchin ◽  
Self Assembly ◽  
Microwave Assisted

scholarly journals A low-temperature hydrothermal synthesis of submicron spherical BaF2

RSC Advances ◽  
2021 ◽  
Vol 11 (63) ◽  
pp. 40051-40058
Author(s):  
Xiao Li ◽  
Yuxiang Zhao ◽  
Bo Li ◽  
Shuxuan Wang ◽  
Xingwu Zou
Keyword(s):  
Hydrothermal Synthesis ◽  
Low Temperature ◽  
Hydrothermal Method ◽  
Self Assembly ◽  
The Self ◽  
Spherical Particles

BaF2 submicron spherical particles, formed by the self-assembly of nanocubes, were prepared by a low-temperature hydrothermal method with the aid of EDTA-2Na.

Effect of Cosolvents DMSO and Glycerol on the Self-Assembly Behavior of SDBS and CPC: An Experimental and Theoretical Approach

2018 ◽  
Vol 63 (8) ◽  
pp. 3083-3096 ◽  
Author(s):  
Vivek Sharma ◽  
Plinio Cantero-López ◽  
Osvaldo Yañez-Osses ◽  
Ashish Kumar
Keyword(s):  
Theoretical Approach ◽  
Self Assembly ◽  
The Self ◽  
Assembly Behavior

Chiral Expression at the Solid−Liquid Interface: A Joint Experimental and Theoretical Study of the Self-Assembly of Chiral Porphyrins on Graphite

Langmuir ◽  
2008 ◽  
Vol 24 (17) ◽  
pp. 9566-9574 ◽  
Author(s):  
Mathieu Linares ◽  
Patrizia Iavicoli ◽  
Krystallia Psychogyiopoulou ◽  
David Beljonne ◽  
Steven De Feyter ◽  
...  
Keyword(s):  
Self Assembly ◽  
Theoretical Study ◽  
Liquid Interface ◽  
The Self ◽  
Solid Liquid Interface ◽  
Solid Liquid

scholarly journals Stacks of Azobenzene Stars: Self-Assembly Scenario and Stabilising Forces Quantified in Computer Modelling

Molecules ◽  
2019 ◽  
Vol 24 (23) ◽  
pp. 4387 ◽  
Author(s):  
Vladyslav Savchenko ◽  
Markus Koch ◽  
Aleksander S. Pavlov ◽  
Marina Saphiannikova ◽  
Olga Guskova
Keyword(s):  
Self Assembly ◽  
Density Functional ◽  
Computer Modelling ◽  
Light Stimulus ◽  
Dipole Moments ◽  
Intermolecular Forces ◽  
Binding Energies ◽  
The Self ◽  
Assembly Mechanism ◽  
Lateral Displacements

In this paper, the columnar supramolecular aggregates of photosensitive star-shaped azobenzenes with benzene-1,3,5-tricarboxamide core and azobenzene arms are analyzed theoretically by applying a combination of computer simulation techniques. Without a light stimulus, the azobenzene arms adopt the trans-state and build one-dimensional columns of stacked molecules during the first stage of the noncovalent association. These columnar aggregates represent the structural elements of more complex experimentally observed morphologies—fibers, spheres, gels, and others. Here, we determine the most favorable mutual orientations of the trans-stars in the stack in terms of (i) the π – π distance between the cores lengthwise the aggregate, (ii) the lateral displacements due to slippage and (iii) the rotation promoting the helical twist and chirality of the aggregate. To this end, we calculate the binding energy diagrams using density functional theory. The model predictions are further compared with available experimental data. The intermolecular forces responsible for the stability of the stacks in crystals are quantified using Hirshfeld surface analysis. Finally, to characterize the self-assembly mechanism of the stars in solution, we calculate the hydrogen bond lengths, the normalized dipole moments and the binding energies as functions of the columnar length. For this, molecular dynamics trajectories are analyzed. Finally, we conclude about the cooperative nature of the self-assembly of star-shaped azobenzenes with benzene-1,3,5-tricarboxamide core in aqueous solution.

Nanoparticles as template for porphyrin nanostructure growth

2019 ◽  
Vol 23 (04n05) ◽  
pp. 526-533 ◽  
Author(s):  
Mariana Hamer ◽  
Rolando M. Caraballo ◽  
Peter J. Eaton ◽  
Craig Medforth
Keyword(s):  
Self Assembly ◽  
Soret Band ◽  
Surface Interactions ◽  
Water Soluble ◽  
The Self ◽  
Stacking Interactions ◽  
Aromatic System ◽  
One Pot ◽  
Assembly Mechanism ◽  
Scattering Measurements

Porphyrins and metalloporphyrins are one of the most widely studied platforms for the construction of supramolecular structures. These compounds have an extended aromatic system that allows [Formula: see text]–[Formula: see text] stacking interactions which, together with hydrogen bonds, electrostatic forces and the formation of inter-metallic complexes arising from peripheral groups, offer a versatile platform to control the self-assembly mechanism. In this work, we present the study of nanostructures formed by self-assembly of the water-soluble porphyrins meso-tetra([Formula: see text]-methyl-4-pyridyl)porphyrin (TMPyP) and meso-tetra(4-sulfonatophenyl)porphyrin (TPPS) in the presence of hard nanotemplates. Different nanoparticles (silica, gold, and polystyrene), concentrations and synthetic procedures were explored. The obtained materials were characterized by SEM and AFM microscopies, UV-vis absorption spectroscopy and dynamic light scattering measurements. A clear modification of the SiO2 NP surface roughness using one-pot synthesis was observed. The results were variable depending on the porphyrin–surface interactions and concentrations used. At lower porphyrin concentrations, a shift of the Soret band was observed, while at higher concentrations, free NS were formed. This reflects a competition between surface and solution directed self-assembly.

The self-assembly mechanism of tetra-peptides from the motif of β-amyloid peptides: a combined coarse-grained and all-atom molecular dynamics simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100072-100078 ◽  
Author(s):  
Lijun Liang ◽  
Li-Wei Wang ◽  
Jia-Wei Shen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Self Assembly ◽  
The Self ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Aβ Peptides ◽  
Amyloid Peptides ◽  
Assembly Mechanism ◽  
Β Amyloid

Understanding the self-assembly mechanisms of tetra-peptides from Aβ-peptides into different nanostructures.

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