Factors driving the self-assembly of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study

RSC Advances ◽  
2014 ◽  
Vol 4 (96) ◽  
pp. 53575-53587 ◽  
Author(s):  
Carmela Bonaccorso ◽  
Giovanna Brancatelli ◽  
Giuseppe Forte ◽  
Giuseppe Arena ◽  
Silvano Geremia ◽  
...  
Keyword(s):  
Solid State ◽  
Self Assembly ◽  
Water Soluble ◽  
The Self ◽  
State Study ◽  
Combined Solution

scholarly journals Insight into the Self-Assembly of Water-Soluble Perylene Bisimide Derivatives Through a Combined Computational and Experimental Approach

2019 ◽  
Author(s):  
Emily R. Draper ◽  
Liam Wilbraham ◽  
Dave J. Adams ◽  
Matthew Wallace ◽  
Martijn Zwijnenburg
Keyword(s):  
Density Functional Theory ◽  
Self Assembly ◽  
Density Functional ◽  
Colloidal Stability ◽  
Water Soluble ◽  
The Self ◽  
Functional Theory ◽  
Perylene Bisimide ◽  
Aggregate Growth ◽  
Perylene Bisimides

We use a combination of computational and experimental techniques to study the self-assembly and gelation of water-soluble perylene bisimides derivatised at the imide position with an amino acid. Specifically, we study the likely structure of self-assembled aggregates of the alanine-functionalised perylene bisimide (PBI-A) and the thermodynamics of their formation using density functional theory and predict the UV-vis spectra of such aggregates using time-dependent density functional theory. We compare these predictions to experiments in which we study the evolution of the UV-Vis and NMR spectra and rheology of alkaline PBI-A solutions when gradually decreasing the pH. Based on the combined computational and experimental results, we show that PBI-A self-assembles at all pH values but that aggregates grow in size upon protonation. Gelation is driven not by aggregate growth but reduction of the aggregation surface-charge and a decrease in the colloidal stability of the aggregation with respect to agglomeration.

scholarly journals Insight into the self-assembly of water-soluble perylene bisimide derivatives through a combined computational and experimental approach

Nanoscale ◽  
2019 ◽  
Vol 11 (34) ◽  
pp. 15917-15928 ◽  
Author(s):  
Emily R. Draper ◽  
Liam Wilbraham ◽  
Dave J. Adams ◽  
Matthew Wallace ◽  
Ralf Schweins ◽  
...  
Keyword(s):  
Amino Acid ◽  
Self Assembly ◽  
Experimental Approach ◽  
Water Soluble ◽  
The Self ◽  
Experimental Techniques ◽  
Perylene Bisimide ◽  
Perylene Bisimides ◽  
Insight Into

We use a combination of computational and experimental techniques to study the self-assembly and gelation of amino-acid functionalised water-soluble perylene bisimides.

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.

Case history of porphyrin J-aggregates: a personal point of view

2009 ◽  
Vol 13 (04n05) ◽  
pp. 461-470 ◽  
Author(s):  
Joaquim Crusats ◽  
Zoubir El-Hachemi ◽  
Carlos Escudero ◽  
Josep M. Ribó
Keyword(s):  
Supramolecular Chemistry ◽  
Self Assembly ◽  
Building Blocks ◽  
Point Of View ◽  
Water Soluble ◽  
The Self ◽  
Molecular Building Blocks ◽  
History Of ◽  
J Aggregates ◽  
The University

The formation and structure of the title aggregates are paradigms of the self-assembly of amphiphilic molecular building blocks in supramolecular chemistry. This review summarizes the research in the University of Barcelona on the homoassociation of the water soluble meso 4-sulfonatophenyl-and phenyl substituted porphyrins.

NANOSTRUCTURES FROM DESIGNER PEPTIDES

COSMOS ◽  
2008 ◽  
Vol 04 (02) ◽  
pp. 173-183
Author(s):  
BOON TEE ONG ◽  
PARAYIL KUMARAN AJIKUMAR ◽  
SURESH VALIYAVEETTIL
Keyword(s):  
Atomic Force Microscopy ◽  
Solid State ◽  
Self Assembly ◽  
Size Range ◽  
The Self ◽  
Mica Surface ◽  
Force Microscopy ◽  
Solution Structures ◽  
Atomic Force

The present article reviews the self-assembly of oligopeptides to form nanostructures, both in solution and in solid state. The solution structures of the peptides were examined using circular dichroism and dynamic light scattering. The solid state assembly was examined by adsorbing the peptides onto a mica surface and analyzing it using atomic force microscopy. The role of pH and salt concentration on the peptide self-assembly was also examined. Nanostructures within a size range of 3–10 nm were obtained under different conditions.

The influence of oligo(ethylene glycol) side chains on the self-assembly of benzene-1,3,5-tricarboxamides in the solid state and in solution

2009 ◽  
Vol 19 (1) ◽  
pp. 124-130 ◽  
Author(s):  
Patrick J. M. Stals ◽  
Jan F. Haveman ◽  
Rafael Martín-Rapún ◽  
Carel F. C. Fitié ◽  
Anja R. A. Palmans ◽  
...  
Keyword(s):  
Solid State ◽  
Ethylene Glycol ◽  
Self Assembly ◽  
The Self ◽  
Side Chains

Hydrolysis of Surface-Bound Phosphonate Esters for the Self-Assembly of Multilayer Films:  Use of Solid State Magic Angle Spinning31P NMR as a Probe of Reactions on Surfaces

Langmuir ◽  
1996 ◽  
Vol 12 (2) ◽  
pp. 238-242 ◽  
Author(s):  
Grace Ann Neff ◽  
Catherine J. Page ◽  
Ernesta Meintjes ◽  
T. Tsuda ◽  
W.-C. Pilgrim ◽  
...  
Keyword(s):  
Solid State ◽  
Self Assembly ◽  
Multilayer Films ◽  
The Self ◽  
Magic Angle ◽  
Phosphonate Esters ◽  
Hydrolysis Of

scholarly journals Insight into the Self-Assembly of Water-Soluble Perylene Bisimide Derivatives Through a Combined Computational and Experimental Approach

2019 ◽  
Author(s):  
Emily R. Draper ◽  
Liam Wilbraham ◽  
Dave J. Adams ◽  
Matthew Wallace ◽  
Martijn Zwijnenburg
Keyword(s):  
Density Functional Theory ◽  
Self Assembly ◽  
Density Functional ◽  
Colloidal Stability ◽  
Water Soluble ◽  
The Self ◽  
Functional Theory ◽  
Perylene Bisimide ◽  
Aggregate Growth ◽  
Perylene Bisimides

We use a combination of computational and experimental techniques to study the self-assembly and gelation of water-soluble perylene bisimides derivatised at the imide position with an amino acid. Specifically, we study the likely structure of self-assembled aggregates of the alanine-functionalised perylene bisimide (PBI-A) and the thermodynamics of their formation using density functional theory and predict the UV-vis spectra of such aggregates using time-dependent density functional theory. We compare these predictions to experiments in which we study the evolution of the UV-Vis and NMR spectra and rheology of alkaline PBI-A solutions when gradually decreasing the pH. Based on the combined computational and experimental results, we show that PBI-A self-assembles at all pH values but that aggregates grow in size upon protonation. Gelation is driven not by aggregate growth but reduction of the aggregation surface-charge and a decrease in the colloidal stability of the aggregation with respect to agglomeration.

scholarly journals {N 1-[2-(Butylselanyl)benzyl]-N 2,N 2-dimethylethane-1,2-diamine}dichloridomercury(II)

2018 ◽  
Vol 74 (8) ◽  
pp. 1151-1154
Author(s):  
Pushpendra Singh ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Self Assembly ◽  
Title Compound ◽  
Supramolecular Assembly ◽  
Molecular Geometry ◽  
The Self ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Donor Acceptor

In the title compound, [HgCl2(C16H28N2Se)], the primary geometry around the Se and Hg atoms is distorted trigonal–pyramidal and distorted square-pyramidal, respectively. The distortion of the molecular geometry in the complex is caused by the steric demands of the ligands attached to the Se atom. The Hg atom is coordinated through two chloride anions, an N atom and an Se atom, making up an unusual HgNSeCl2 coordination sphere with an additional long Hg...N interaction. Intermolecular C—H...Cl interactions are the only identified intermolecular hydrogen-bonding interactions that seem to be responsible for the self assembly. These relatively weak C—H...Cl hydrogen bonds possess the required linearity and donor–acceptor distances. They act as molecular associative forces that result in a supramolecular assembly along the b-axis direction in the solid state of the title compound.

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