1,924 research outputs found
Short Time Behavior in De Gennes' Reptation Model
To establish a standard for the distinction of reptation from other modes of
polymer diffusion, we analytically and numerically study the displacement of
the central bead of a chain diffusing through an ordered obstacle array for
times . Our theory and simulations agree quantitatively and show
that the second moment approaches the often viewed as signature of
reptation only after a very long transient and only for long chains (N > 100).
Our analytically solvable model furthermore predicts a very short transient for
the fourth moment. This is verified by computer experiment.Comment: 4 pages, revtex, 4 ps file
Self-Diffusion of a Polymer Chain in a Melt
Self-diffusion of a polymer chain in a melt is studied by Monte Carlo
simulations of the bond fluctuation model, where only the excluded volume
interaction is taken into account. Polymer chains, each of which consists of
segments, are located on an simple cubic lattice
under periodic boundary conditions, where each segment occupies unit cells. The results for
and 512 at the volume fraction are reported, where
for and L=192 for . The -dependence of the
self-diffusion constant is examined. Here, is estimated from the mean
square displacements of the center of mass of a single polymer chain at the
times larger than the longest relaxation time. From the data for , 384
and 512, the apparent exponent , which describes the apparent power
law dependence of on as , is estimated as
. The ratio seems to be a
constant for and 512, where and
denote the longest relaxation time and the mean square end-to-end distance,
respectively.Comment: 4 pages, 3 figures, submitted to J. Phys. Soc. Jp
Forced Rayleigh Scattering Studies of Tracer Diffusion in a Nematic Liquid Crystal: The Relevance of Complementary Gratings
We have employed forced Rayleigh scattering (FRS) to study the diffusion of
an azo tracer molecule (methyl red) through a nematic liquid crystal (5CB).
This system was first investigated in an important study by Hara et al. (Japan.
J. Appl. Phys. 23, 1420 [1984]). Since that time, it has become clear that the
presence of complementary ground-state and photoproduct FRS gratings can result
in nonexponential profiles, and that complementary-grating effects are
significant even when "minor" deviations from exponential decay are observed.
We have investigated the methyl red/5CB system in order to evaluate the
possible effects of complementary gratings. In the isotropic phase, we find
that the presence of complementary gratings results in a nonmonotonic FRS
signal, which significantly changes the values inferred for the isotropic
diffusion coefficients. As a result, the previously reported discontinuity at
the nematic/isotropic transition temperature (TNI) is not present in the new
data. On the other hand, in the nematic phase, the new experiments largely
confirm the previous observations of single-exponential FRS decay and the
non-Arrhenius temperature dependence of the nematic diffusion coefficients
close to TNI. Finally, we have also observed that the decrease in the diffusion
anisotropy with increasing temperature can be correlated with the 5CB nematic
order parameter S(T) over the full nematic temperature range.Comment: Accepted in the Journal of Chemical Physics; to appear February 200
Low volume in vitro diagnostic proton NMR spectroscopy of human blood plasma for lipoprotein and metabolite analysis: application to SARS-CoV-2 biomarkers.
The utility of low sample volume in vitro diagnostic (IVDr) proton nuclear magnetic resonance (1H NMR) spectroscopic experiments on blood plasma for information recovery from limited availability or high value samples was exemplified using plasma from patients with SARS-CoV-2 infection and normal controls. 1H NMR spectra were obtained using solvent-suppressed 1D, spin-echo (CPMG), and 2-dimensional J-resolved (JRES) spectroscopy using both 3 mm outer diameter SampleJet NMR tubes (100 μL plasma) and 5 mm SampleJet NMR tubes (300 μL plasma) under in vitro diagnostic conditions. We noted near identical diagnostic models in both standard and low volume IVDr lipoprotein analysis (measuring 112 lipoprotein parameters) with a comparison of the two tubes yielding R2 values ranging between 0.82 and 0.99 for the 40 paired lipoprotein parameters samples. Lipoprotein measurements for the 3 mm tubes were achieved without time penalty over the 5 mm tubes as defined by biomarker recovery for SARS-CoV-2. Overall, biomarker pattern recovery for the lipoproteins was extremely similar, but there were some small positive offsets in the linear equations for several variables due to small shimming artifacts, but there was minimal degradation of the biological information. For the standard untargeted 1D, CPMG, and JRES NMR experiments on the same samples, the reduced signal-to-noise was more constraining and required greater scanning times to achieve similar differential diagnostic performance (15 min per sample per experiment for 3 mm 1D and CPMG, compared to 4 min for the 5 mm tubes). We conclude that the 3 mm IVDr method is fit-for-purpose for quantitative lipoprotein measurements, allowing the preparation of smaller volumes for high value or limited volume samples that is common in clinical studies. If there are no analytical time constraints, the lower volume experiments are equally informative for untargeted profiling
The Sagnac Phase Shift suggested by the Aharonov-Bohm effect for relativistic matter beams
The phase shift due to the Sagnac Effect, for relativistic matter beams
counter-propagating in a rotating interferometer, is deduced on the bases of a
a formal analogy with the the Aharonov-Bohm effect. A procedure outlined by
Sakurai, in which non relativistic quantum mechanics and newtonian physics
appear together with some intrinsically relativistic elements, is generalized
to a fully relativistic context, using the Cattaneo's splitting technique. This
approach leads to an exact derivation, in a self-consistently relativistic way,
of the Sagnac effect. Sakurai's result is recovered in the first order
approximation.Comment: 18 pages, LaTeX, 2 EPS figures. To appear in General Relativity and
Gravitatio
Topological effects in ring polymers: A computer simulation study
Unconcatenated, unknotted polymer rings in the melt are subject to strong
interactions with neighboring chains due to the presence of topological
constraints. We study this by computer simulation using the bond-fluctuation
algorithm for chains with up to N=512 statistical segments at a volume fraction
\Phi=0.5 and show that rings in the melt are more compact than gaussian chains.
A careful finite size analysis of the average ring size R \propto N^{\nu}
yields an exponent \nu \approx 0.39 \pm 0.03 in agreement with a Flory-like
argument for the topologica interactions. We show (using the same algorithm)
that the dynamics of molten rings is similar to that of linear chains of the
same mass, confirming recent experimental findings. The diffusion constant
varies effectively as D_{N} \propto N^{-1.22(3) and is slightly higher than
that of corresponding linear chains. For the ring sizes considered (up to 256
statistical segments) we find only one characteristic time scale \tau_{ee}
\propto N^{2.0(2); this is shown by the collapse of several mean-square
displacements and correlation functions onto corresponding master curves.
Because of the shrunken state of the chain, this scaling is not compatible with
simple Rouse motion. It applies for all sizes of ring studied and no sign of a
crossover to any entangled regime is found.Comment: 20 Pages,11 eps figures, Late
The distribution of pond snail communities across a landscape: separating out the influence of spatial position from local habitat quality for ponds in south-east Northumberland, UK
Ponds support a rich biodiversity because the heterogeneity of individual ponds creates, at the landscape scale, a diversity of habitats for wildlife. The distribution of pond animals and plants will be influenced by both the local conditions within a pond and the spatial distribution of ponds across the landscape. Separating out the local from the spatial is difficult because the two are often linked. Pond snails are likely to be affected by both local conditions, e.g. water hardness, and spatial patterns, e.g. distance between ponds, but studies of snail communities struggle distinguishing between the two. In this study, communities of snails were recorded from 52 ponds in a biogeographically coherent landscape in north-east England. The distribution of snail communities was compared to local environments characterised by the macrophyte communities within each pond and to the spatial pattern of ponds throughout the landscape. Mantel tests were used to partial out the local versus the landscape respective influences. Snail communities became more similar in ponds that were closer together and in ponds with similar macrophyte communities as both the local and the landscape scale were important for this group of animals. Data were collected from several types of ponds, including those created on nature reserves specifically for wildlife, old field ponds (at least 150 years old) primarily created for watering livestock and subsidence ponds outside protected areas or amongst coastal dunes. No one pond type supported all the species. Larger, deeper ponds on nature reserves had the highest numbers of species within individual ponds but shallow, temporary sites on farm land supported a distinct temporary water fauna. The conservation of pond snails in this region requires a diversity of pond types rather than one idealised type and ponds scattered throughout the area at a variety of sites, not just concentrated on nature reserves
Self-diffusion in binary blends of cyclic and linear polymers
A lattice model is used to estimate the self-diffusivity of entangled cyclic
and linear polymers in blends of varying compositions. To interpret simulation
results, we suggest a minimal model based on the physical idea that constraints
imposed on a cyclic polymer by infiltrating linear chains have to be released,
before it can diffuse beyond a radius of gyration. Both, the simulation, and
recently reported experimental data on entangled DNA solutions support the
simple model over a wide range of blend compositions, concentrations, and
molecular weights.Comment: 10 pages, 2 figure
Effective Soft-Core Potentials and Mesoscopic Simulations of Binary Polymer Mixtures
Mesoscopic molecular dynamics simulations are used to determine the large
scale structure of several binary polymer mixtures of various chemical
architecture, concentration, and thermodynamic conditions. By implementing an
analytical formalism, which is based on the solution to the Ornstein-Zernike
equation, each polymer chain is mapped onto the level of a single soft colloid.
From the appropriate closure relation, the effective, soft-core potential
between coarse-grained units is obtained and used as input to our mesoscale
simulations. The potential derived in this manner is analytical and explicitly
parameter dependent, making it general and transferable to numerous systems of
interest. From computer simulations performed under various thermodynamic
conditions the structure of the polymer mixture, through pair correlation
functions, is determined over the entire miscible region of the phase diagram.
In the athermal regime mesoscale simulations exhibit quantitative agreement
with united atom simulations. Furthermore, they also provide information at
larger scales than can be attained by united atom simulations and in the
thermal regime approaching the phase transition.Comment: 19 pages, 11 figures, 3 table
Mechanisms explaining transitions between tonic and phasic firing in neuronal populations as predicted by a low dimensional firing rate model
Several firing patterns experimentally observed in neural populations have
been successfully correlated to animal behavior. Population bursting, hereby
regarded as a period of high firing rate followed by a period of quiescence, is
typically observed in groups of neurons during behavior. Biophysical
membrane-potential models of single cell bursting involve at least three
equations. Extending such models to study the collective behavior of neural
populations involves thousands of equations and can be very expensive
computationally. For this reason, low dimensional population models that
capture biophysical aspects of networks are needed.
\noindent The present paper uses a firing-rate model to study mechanisms that
trigger and stop transitions between tonic and phasic population firing. These
mechanisms are captured through a two-dimensional system, which can potentially
be extended to include interactions between different areas of the nervous
system with a small number of equations. The typical behavior of midbrain
dopaminergic neurons in the rodent is used as an example to illustrate and
interpret our results.
\noindent The model presented here can be used as a building block to study
interactions between networks of neurons. This theoretical approach may help
contextualize and understand the factors involved in regulating burst firing in
populations and how it may modulate distinct aspects of behavior.Comment: 25 pages (including references and appendices); 12 figures uploaded
as separate file
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