11,512 research outputs found
The self-assembly of DNA Holliday junctions studied with a minimal model
In this paper, we explore the feasibility of using coarse-grained models to
simulate the self-assembly of DNA nanostructures. We introduce a simple model
of DNA where each nucleotide is represented by two interaction sites
corresponding to the phosphate-sugar backbone and the base. Using this model,
we are able to simulate the self-assembly of both DNA duplexes and Holliday
junctions from single-stranded DNA. We find that assembly is most successful in
the temperature window below the melting temperatures of the target structure
and above the melting temperature of misbonded aggregates. Furthermore, in the
case of the Holliday junction, we show how a hierarchical assembly mechanism
reduces the possibility of becoming trapped in misbonded configurations. The
model is also able to reproduce the relative melting temperatures of different
structures accurately, and allows strand displacement to occur.Comment: 13 pages, 14 figure
Mesoscopic order and the dimentionality of long-range resonance energy transfer in supramolecular semiconductors
We present time-resolved photoluminescence measurements on two series of
oligo-p-phenylenevinylene materials that self-assemble into supramolecular
nanostructures with thermotropic reversibility in dodecane. One set of
derivatives form chiral, helical stacks while the second set form less
organised, frustrated stacks. Here we study the effects of supramolecular
organisation on the resonance energy transfer rates. We measure these rates in
nanoassemblies formed with mixed blends of oligomers and compare them with the
rates predicted by Foerster theory. Our results and analysis show that control
of supramolecular order in the nanometre lengthscale has a dominant effect on
the efficiency and dimentionality of resonance energy transfer.Comment: 17 Pages, 5 Figures, Submitted to J. Chem. Phy
Control of silver-polymer aggregation mechanism by primary particle spatial correlations in dynamic fractal-like geometry
Silver nanocrystals have been prepared by reacting silver nitrate with
ascorbic acid in aqueous solution containing a low concentration of a
commercial polynaphtalene sulphonate polymer (Daxad 19). Various crystalline
morphologies have been obtained simply by tuning the reaction temperature. We
have investigated the nanoparticle formation mechanism at three different
temperatures by in situ and time resolved Small Angle X ray Scattering
measurements. By modeling the scattering intensity with interacting spherical
particles in a fractal-like polymer-Ag matrix, we found signatures of
nucleation, growth and assembly of primary particles of about 15-20 nm. We
observed how the time evolution of both spatial correlations between primary
particles and the dynamic fractal geometry of the polymer-Ag matrix could
influence and determine both the aggregation mechanism and the morphology of
forming nanostructures in solution
Coarse Graining RNA Nanostructures for Molecular Dynamics Simulations
A series of coarse-grained models have been developed for the study of the
molecular dynamics of RNA nanostructures. The models in the series have one to
three beads per nucleotide and include different amounts of detailed structural
information. Such a treatment allows us to reach, for the systems of thousands
of nucleotides, a time scale of microseconds (i.e. by three orders of magnitude
longer than in the full atomistic modelling) and thus to enable simulations of
large RNA polymers in the context of bionanotechnology. We find that the
3-beads-per-nucleotide models, described by a set of just a few universal
parameters, are able to describe different RNA conformations and are comparable
in structural precision to the models where detailed values of the backbone
P-C4' dihedrals taken from a reference structure are included. These findings
are discussed in the context of the RNA conformation classes
A general method for the synthesis of nanostructured large-surface-area materials through the self-assembly of functionalized nanoparticles
A general synthetic method for the preparation of nanostructured materials with large surface area was developed by using nanoparticle building blocks. The preparation route involves the self-assembly of functionalized nanoparticles in a liquid-crystal phase. These nanoparticles are functionalized by using difunctional amino acid species to provide suitable interactions with the template. Optimum interactions for self-assembly of the nanoparticles in the liquid-crystal phase were achieved with one -NH2 group anchored to the nanoparticle surface per 25 Å2. To maximize the surface area of these materials, the wall thicknesses are adjusted so that they are composed of a monolayer of nanoparticles. To form such materials, numerous parameters have to be controlled such as the relative volume fraction of the nanoparticles and the template and size matching between the hydrophilic component of the copolymer and nanoparticles. The surface functionalization renders our synthetic route independent of the nanoparticles and allows us to prepare a variety of nanostructured composite materials that consist of a juxtaposition of different discrete oxide nanoparticles. Examples of such materials include CeO2, ZrO2, and CeO2–Al(OH)3 composites
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