Dynamic Landau Theory for Supramolecular Self-Assembly [PDF]
, 2016 Although pathway-specific kinetic theories are fundamentally important to describe and under- stand reversible polymerisation kinetics, they come in principle at a cost of having a large number of system-specific parameters. Here, we construct a dynamical Landau theory to describe the kinetics of activated linear supramolecular self-assembly, which ...
arxiv +1 more source
Accelerated Atomistic Simulations of a Supramolecular Polymer in Water [PDF]
arXiv, 2018 All-atom molecular dynamics has been recently proven a useful tool for the study of supramolecular polymers. While the high resolution offered by the atomistic models may allow for deep comprehension of the assembled structure, obtaining a reliable equilibrated configuration for these soft assemblies in aqueous solution remains a challenging task ...
arxiv
Random, blocky and alternating ordering in supramolecular polymers of chemically bidisperse monomers [PDF]
, 2010 As a first step to understanding the role of molecular or chemical polydispersity in self-assembly, we put forward a coarse-grained model that describes the spontaneous formation of quasi-linear polymers in solutions containing two self-assembling species.
arxiv +1 more source
Supramolecular self-assembly as a tool to preserve electronic purity of perylene diimide chromophores [PDF]
arXiv, 2022 Small molecule organic semiconductors hold great promise for efficient, printable, and flexible optoelectronic applications like solar cells and displays. However, strong excited-state quenching due to uncontrolled aggregation currently limits their performance and employability in devices.
arxiv
Conformational Dynamics of Supramolecular Protein Assemblies in the EMDB [PDF]
arXiv, 2010 The Electron Microscopy Data Bank (EMDB) is a rapidly growing repository for the dissemination of structural data from single-particle reconstructions of supramolecular protein assemblies including motors, chaperones, cytoskeletal assemblies, and viral capsids.
arxiv
Use of Supramolecular Assemblies as Lithographic Resists [PDF]
Angewandte Chemie, 2017 AbstractA new resist material for electron beam lithography has been created that is based on a supramolecular assembly. Initial studies revealed that with this supramolecular approach, high‐resolution structures can be written that show unprecedented selectivity when exposed to etching conditions involving plasmas.
Scott M. Lewis +15 more
openaire +6 more sources
Potential curves illustrating a dissipative self-assembly system and the meaning of away-from-equilibrium [PDF]
arXiv, 2022 Dissipative self-assembly is a recently proposed concept in the field of non-equilibrium systems. This concept catches the reader's attention owing to its relationship with life phenomena. Recently, Credi's group has reported the behavior of a directional supramolecular pump that works under continuous light irradiation with the regime of dissipative ...
arxiv
Interplay of Water and a Supramolecular Capsule for Catalysis of Reductive Elimination Reaction from Gold [PDF]
arXiv, 2019 Supramolecular assemblies have gained tremendous attention due to their apparent ability to catalyze reactions with the efficiencies of natural enzymes. Using Born-Oppenheimer molecular dynamics and density functional theory, we identify the origin of the catalytic power of the supramolecular assembly Ga$_4$L$_{612-}$ on the reductive elimination ...
arxiv
Visualizing the Supramolecular Assembly of Collagen
, 2019 Among biological macromolecules, collagen enjoys quite a peculiar status. Making up as much as a third of the protein fraction of the body it is the main responsible for the functional properties of the extracellular matrix, which can be efficiently tuned and tailored by modifying the length, volume fraction, and spatial layout of its collagen content.
Mario Raspanti +4 more
openaire +3 more sources
The Self-Assembly of Nano-Objects Code: Applications to supramolecular organic monolayers adsorbed on metal surfaces [PDF]
arXiv, 2012 The Self-Assembly of Nano-Objects (SANO) code we implemented demonstrates the ability to predict the molecular self-assembly of different structural motifs by tuning the molecular building blocks as well as the metallic substrate. It consists in a two-dimensional Grand Canonical Monte-Carlo (GCMC) approach developed to perform atomistic simulations of ...
arxiv