Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

PWJM Frederix, I Patmanidis, SJ Marrink - Chemical Society Reviews, 2018 - pubs.rsc.org
In bionanotechnology, the field of creating functional materials consisting of bio-inspired
molecules, the function and shape of a nanostructure only appear through the assembly of …

Perspectives on weak interactions in complex materials at different length scales

J Fiedler, K Berland, JW Borchert… - Physical Chemistry …, 2023 - pubs.rsc.org
Nanocomposite materials consist of nanometer-sized quantum objects such as atoms,
molecules, voids or nanoparticles embedded in a host material. These quantum objects can …

Efficient light harvesting in self-assembled organic luminescent nanotubes

SK Bhaumik, D Maity, I Basu, S Chakrabarty… - Chemical …, 2023 - pubs.rsc.org
Luminescent organic nanotubes derived from the co-assembly of cyanostilbene (CS) based
cationic supramolecular polymers and bio-polyanion heparin, a known anticoagulant, have …

Photochemical control of exciton superradiance in light-harvesting nanotubes

S Doria, TS Sinclair, ND Klein, DIG Bennett… - ACS …, 2018 - ACS Publications
Photosynthetic antennae and organic electronic materials use topological, structural, and
molecular control of delocalized excitons to enhance and direct energy transfer. Interactions …

Essential states model for merocyanine dye stacks: bridging electronic and optical absorption properties

D Bialas, C Zhong, F Wurthner… - The Journal of Physical …, 2019 - ACS Publications
An extension of the essential states model is developed to investigate the absorption and
electronic properties of a highly dipolar merocyanine dye and double and quadruple π …

Structure prediction of self-assembled dye aggregates from cryogenic transmission electron microscopy, molecular mechanics, and theory of optical spectra

C Friedl, T Renger, H Berlepsch, K Ludwig… - The Journal of …, 2016 - ACS Publications
Cryogenic transmission electron microscopy (cryo-TEM) studies suggest that TTBC
molecules self-assemble in aqueous solution to form single-walled tubes with a diameter of …

Vibronic coherences in light harvesting nanotubes: unravelling the role of dark states

S Doria, M Di Donato, R Borrelli, MF Gelin… - Journal of Materials …, 2022 - pubs.rsc.org
Self-assembled ordered structures, such as H-or J-type molecular aggregates of organic
chromophores, are extremely interesting materials for different optoelectronic applications …

Multiscale modeling of molecular structure and optical properties of complex supramolecular aggregates

AS Bondarenko, I Patmanidis, R Alessandri… - Chemical …, 2020 - pubs.rsc.org
Supramolecular aggregates of synthetic dye molecules offer great perspectives to prepare
biomimetic functional materials for light-harvesting and energy transport. The design is …

Atomistic simulation studies of ionic cyanine dyes: self-assembly and aggregate formation in aqueous solution

G Yu, M Walker, MR Wilson - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Cyanine dyes are known to form large-scale aggregates of various morphologies via
spontaneous self-assembly in aqueous solution, akin to chromonic liquid crystals. Atomistic …

Spectral and structural variations of biomimetic light-harvesting nanotubes

A Löhner, T Kunsel, MIS Röhr… - The Journal of …, 2019 - ACS Publications
Bioinspired, self-assembled nanotubes have been investigated by low-temperature,
polarization-resolved single-tube spectroscopy. These assemblies are based on zinc chlorin …