8,412 research outputs found
New family of potentials with analytical twiston-like solutions
In this letter we present a new approach to find analytical twiston models.
The effective two-field model was constructed by a non-trivial combination of
two one field systems. In such an approach we successfully build analytical
models which are satisfied by a combination of two defect-like solutions, where
one is responsible to twist the molecular chain by , while the other
implies in a longitudinal movement. Such a longitudinal movement can be fitted
to have the size of the distance between adjacent molecular groups. The
procedure works nicely and can be used to describe the dynamics of several
other molecular chains.Comment: 7 pages, 3 figure
Molecular dynamics simulations reveal disruptive self-assembly in dynamic peptide libraries
There is a significant interest in the use of unmodified self-assembling peptides as building blocks for functional, supramolecular biomaterials. Recently, dynamic peptide libraries (DPLs) have been proposed to select self-assembling materials from dynamically exchanging mixture of dipeptide inputs in the presence of a nonspecific protease enzyme, where peptide sequences are selected and amplified based on their self-assembling tendencies. It was shown that the results of DPL of mixed sequences (e.g. starting from a mixture of dileucine, L2 and diphenylalanine, F2) did not give the same outcome as the separate L2 and F2 libraries (which give rise to formation of F6 and L6), implying that interaction between these sequences could disrupt the self-assembly. In this study, coarse grained molecular dynamic (CG-MD) simulations are used to understand the DPL results for F2, L2 and mixed libraries. CG-MD simulations demonstrate that interactions between precursors can cause the low formation yield of hexapeptides in mixtures of dipeptides and show that this ability to disrupt is influenced by the concentration of the different species in the DPL. The disrupting self-assembly effect between the species in DPL is an important effect to take into account in dynamic combinatorial chemistry as it affects the possible discovery of new materials. The work shows that combined computational and experimental screening can be used complementary and in combination provide a powerful means to discover new supramolecular peptide nanostructures
Insulin in Central Nervous System: More than Just a Peripheral Hormone
Insulin signaling in central nervous system (CNS) has emerged as a novel field of research since decreased brain insulin levels and/or signaling were associated to impaired learning, memory, and age-related neurodegenerative diseases. Thus, besides its well-known role in longevity, insulin may constitute a promising therapy against diabetes- and age-related neurodegenerative disorders. More interestingly, insulin has been also faced as the potential missing link between diabetes and aging in CNS, with Alzheimer's disease (AD) considered as the “brain-type diabetes.” In fact, brain insulin has been shown to regulate both peripheral and central glucose metabolism, neurotransmission, learning, and memory and to be neuroprotective. And a future challenge will be to unravel the complex interactions between aging and diabetes, which, we believe, will allow the development of efficient preventive and therapeutic strategies to overcome age-related diseases and to prolong human “healthy” longevity. Herewith, we aim to integrate the metabolic, neuromodulatory, and neuroprotective roles of insulin in two age-related pathologies: diabetes and AD, both in terms of intracellular signaling and potential therapeutic approach
Exchange coupling inversion in a high-spin organic triradical molecule
The magnetic properties of a nanoscale system are inextricably linked to its
local environment. In ad-atoms on surfaces and inorganic layered structures the
exchange interactions result from the relative lattice positions, layer
thicknesses and other environmental parameters. Here, we report on a
sample-dependent sign inversion of the magnetic exchange coupling between the
three unpaired spins of an organic triradical molecule embedded in a
three-terminal device. This ferro-to-antiferromagnetic transition is due to
structural distortions and results in a high-to-low spin ground state change in
a molecule traditionally considered to be a robust high-spin quartet. Moreover,
the flexibility of the molecule yields an in-situ electric tunability of the
exchange coupling via the gate electrode. These findings open a route to the
controlled reversal of the magnetic states in organic molecule-based
nanodevices by mechanical means, electrical gating or chemical tailoring
Kinetics of macroion coagulation induced by multivalent counterions
Due to the strong correlations between multivalent counterions condensed on a
macroion, the net macroion charge changes sign at some critical counterion
concentration. This effect is known as the charge inversion. Near this critical
concentration the macroion net charge is small. Therefore, short range
attractive forces between macroions dominate Coulomb repulsion and lead to
their coagulation. The kinetics of macroion coagulation in this range of
counterion concentrations is studied. We calculate the Coulomb barrier between
two approaching like charged macroions at a given counterion concentration. Two
different macroion shapes (spherical and rod-like) are considered. A new
"self-regulated" regime of coagulation is found. As the size of aggregates
increases, their charge and Coulomb barrier also grow and diminish the sticking
probability of aggregates. This leads to a slow, logarithmic increase of the
aggregate size with time.Comment: Some formulas correcte
2DPHOT: A Multi-purpose Environment for the Two-dimensional Analysis of Wide-field Images
We describe 2DPHOT, a general purpose analysis environment for source
detection and analysis in deep wide-field images. 2DPHOT is an automated tool
to obtain both integrated and surface photometry of galaxies in an image, to
perform reliable star-galaxy separation with accurate estimates of
contamination at faint flux levels, and to estimate completeness of the image
catalog. We describe the analysis strategy on which 2DPHOT is based, and
provide a detailed description of the different algorithms implemented in the
package. This new environment is intended as a dedicated tool to process the
wealth of data from wide-field imaging surveys. To this end, the package is
complemented by 2DGUI, an environment that allows multiple processing of data
using a range of computing architectures.Comment: Accepted to PAS
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