324 research outputs found
A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers
The tensile force along a cylindrical lipid bilayer tube is proportional to
the membrane's bending modulus and inversely proportional to the tube radius.
We show that this relation, which is experimentally exploited to measure
bending rigidities, can be applied with even greater ease in computer
simulations. Using a coarse-grained bilayer model we efficiently obtain bending
rigidities that compare very well with complementary measurements based on an
analysis of thermal undulation modes. We furthermore illustrate that no
deviations from simple quadratic continuum theory occur up to a radius of
curvature comparable to the bilayer thickness.Comment: 7 pages, 5 figures, 1 tabl
Theory and simulations of rigid polyelectrolytes
We present theoretical and numerical studies on stiff, linear
polyelectrolytes within the framework of the cell model. We first review
analytical results obtained on a mean-field Poisson-Boltzmann level, and then
use molecular dynamics simulations to show, under which circumstances these
fail quantitatively and qualitatively. For the hexagonally packed nematic phase
of the polyelectrolytes we compute the osmotic coefficient as a function of
density. In the presence of multivalent counterions it can become negative,
leading to effective attractions. We show that this results from a reduced
contribution of the virial part to the pressure. We compute the osmotic
coefficient and ionic distribution functions from Poisson-Boltzmann theory with
and without a recently proposed correlation correction, and also simulation
results for the case of poly(para-phenylene) and compare it to recently
obtained experimental data on this stiff polyelectrolyte. We also investigate
ion-ion correlations in the strong coupling regime, and compare them to
predictions of the recently advocated Wigner crystal theories.Comment: 32 pages, 15 figures, proceedings of the ASTATPHYS-MEX-2001, to be
published in Mol. Phy
Poisson -- Boltzmann Brownian Dynamics of Charged Colloids in Suspension
We describe a method to simulate the dynamics of charged colloidal particles
suspended in a liquid containing dissociated ions and salt ions. Regimes of
prime current interest are those of large volume fraction of colloids, highly
charged particles and low salt concentrations. A description which is tractable
under these conditions is obtained by treating the small dissociated and salt
ions as continuous fields, while keeping the colloidal macroions as discrete
particles. For each spatial configuration of the macroions, the electrostatic
potential arising from all charges in the system is determined by solving the
nonlinear Poisson--Boltzmann equation. From the electrostatic potential, the
forces acting on the macroions are calculated and used in a Brownian dynamics
simulation to obtain the motion of the latter. The method is validated by
comparison to known results in a parameter regime where the effective
interaction between the macroions is of a pairwise Yukawa form
Effective field theory approach to Casimir interactions on soft matter surfaces
We utilize an effective field theory approach to calculate Casimir
interactions between objects bound to thermally fluctuating fluid surfaces or
interfaces. This approach circumvents the complicated constraints imposed by
such objects on the functional integration measure by reverting to a point
particle representation. To capture the finite size effects, we perturb the
Hamiltonian by DH that encapsulates the particles' response to external fields.
DH is systematically expanded in a series of terms, each of which scales
homogeneously in the two power counting parameters: \lambda \equiv R/r, the
ratio of the typical object size (R) to the typical distance between them (r),
and delta=kB T/k, where k is the modulus characterizing the surface energy. The
coefficients of the terms in DH correspond to generalized polarizabilities and
thus the formalism applies to rigid as well as deformable objects.
Singularities induced by the point particle description can be dealt with using
standard renormalization techniques. We first illustrate and verify our
approach by re-deriving known pair forces between circular objects bound to
films or membranes. To demonstrate its efficiency and versatility, we then
derive a number of new results: The triplet interactions present in these
systems, a higher order correction to the film interaction, and general scaling
laws for the leading order interaction valid for objects of arbitrary shape and
internal flexibility.Comment: 4 pages, 1 figur
Relating ASD symptoms to well-being:Moving across different construct levels
BACKGROUND: Little is known about the specific factors that contribute to the well-being (WB) of individuals with autism spectrum disorder (ASD). A plausible hypothesis is that ASD symptomatology has a direct negative effect on WB. In the current study, the emerging tools of network analysis allow to explore the functional interdependencies between specific symptoms of ASD and domains of WB in a multivariate framework. We illustrate how studying both higher-order (total score) and lower-order (subscale) representations of ASD symptomatology can clarify the interrelations of factors relevant for domains of WB. METHODS: We estimated network structures on three different construct levels for ASD symptomatology, as assessed with the Adult Social Behavior Questionnaire (item, subscale, total score), relating them to daily functioning (DF) and subjective WB in 323 adult individuals with clinically identified ASD (aged 17-70 years). For these networks, we assessed the importance of specific factors in the network structure. RESULTS: When focusing on the highest representation level of ASD symptomatology (i.e. a total score), we found a negative connection between ASD symptom severity and domains of WB. However, zooming in on lower representation levels of ASD symptomatology revealed that this connection was mainly funnelled by ASD symptoms related to insistence on sameness and experiencing reduced contact and that those symptom scales, in turn, impact different domains of WB. CONCLUSIONS: Zooming in across construct levels of ASD symptom severity into subscales of ASD symptoms can provide us with important insights into how specific domains of ASD symptoms relate to specific domains of DF and WB
Elastic deformation of a fluid membrane upon colloid binding
When a colloidal particle adheres to a fluid membrane, it induces elastic
deformations in the membrane which oppose its own binding. The structural and
energetic aspects of this balance are theoretically studied within the
framework of a Helfrich Hamiltonian. Based on the full nonlinear shape
equations for the membrane profile, a line of continuous binding transitions
and a second line of discontinuous envelopment transitions are found, which
meet at an unusual triple point. The regime of low tension is studied
analytically using a small gradient expansion, while in the limit of large
tension scaling arguments are derived which quantify the asymptotic behavior of
phase boundary, degree of wrapping, and energy barrier. The maturation of
animal viruses by budding is discussed as a biological example of such
colloid-membrane interaction events.Comment: 14 pages, 9 figures, REVTeX style, follow-up on cond-mat/021242
Structure of Polyelectrolytes in Poor Solvent
We present simulations on charged polymers in poor solvent. First we
investigate in detail the dilute concentration range with and without imposed
extension constraints. The resulting necklace polymer conformations are
analyzed in detail. We find strong fluctuations in the number of pearls and
their sizes leading only to small signatures in the form factor and the
force-extension relation. The scaling of the peak in the structure factor with
the monomer density shows a pertinent different behavior from good solvent
chains.Comment: 7 pages, 5 figures. submitted to EP
Modeling subjective relevance in schizophrenia and its relation to aberrant salience
In schizophrenia, increased aberrant salience to irrelevant events and reduced learning of relevant information may relate to an underlying deficit in relevance detection. So far, subjective estimates of relevance have not been probed in schizophrenia patients. The mechanisms underlying belief formation about relevance and their translation into decisions are unclear. Using novel computational methods, we investigated relevance detection during implicit learning in 42 schizophrenia patients and 42 healthy individuals. Participants underwent functional magnetic resonance imaging while detecting the outcomes in a learning task. These were preceded by cues differing in color and shape, which were either relevant or irrelevant for outcome prediction. We provided a novel definition of relevance based on Bayesian precision and modeled reaction times as a function of relevance weighted unsigned prediction errors (UPE). For aberrant salience, we assessed responses to subjectively irrelevant cue manifestations. Participants learned the contingencies and slowed down their responses following unexpected events. Model selection revealed that individuals inferred the relevance of cue features and used it for behavioral adaption to the relevant cue feature. Relevance weighted UPEs correlated with dorsal anterior cingulate cortex activation and hippocampus deactivation. In patients, the aberrant salience bias to subjectively task-irrelevant information was increased and correlated with decreased striatal UPE activation and increased negative symptoms. This study shows that relevance estimates based on Bayesian precision can be inferred from observed behavior. This underscores the importance of relevance detection as an underlying mechanism for behavioral adaptation in complex environments and enhances the understanding of aberrant salience in schizophrenia
On the fluid-fluid phase separation in charged-stabilized colloidal suspensions
We develop a thermodynamic description of particles held at a fixed surface
potential. This system is of particular interest in view of the continuing
controversy over the possibility of a fluid-fluid phase separation in aqueous
colloidal suspensions with monovalent counterions. The condition of fixed
surface potential allows in a natural way to account for the colloidal charge
renormalization. In a first approach, we assess the importance of the so called
``volume terms'', and find that in the absence of salt, charge renormalization
is sufficient to stabilize suspension against a fluid-fluid phase separation.
Presence of salt, on the other hand, is found to lead to an instability. A very
strong dependence on the approximations used, however, puts the reality of this
phase transition in a serious doubt. To further understand the nature of the
instability we next study a Jellium-like approximation, which does not lead to
a phase separation and produces a relatively accurate analytical equation of
state for a deionized suspensions of highly charged colloidal spheres. A
critical analysis of various theories of strongly asymmetric electrolytes is
presented to asses their reliability as compared to the Monte Carlo
simulations
How to determine local elastic properties of lipid bilayer membranes from atomic-force-microscope measurements: A theoretical analysis
Measurements with an atomic force microscope (AFM) offer a direct way to
probe elastic properties of lipid bilayer membranes locally: provided the
underlying stress-strain relation is known, material parameters such as surface
tension or bending rigidity may be deduced. In a recent experiment a
pore-spanning membrane was poked with an AFM tip, yielding a linear behavior of
the force-indentation curves. A theoretical model for this case is presented
here which describes these curves in the framework of Helfrich theory. The
linear behavior of the measurements is reproduced if one neglects the influence
of adhesion between tip and membrane. Including it via an adhesion balance
changes the situation significantly: force-distance curves cease to be linear,
hysteresis and nonzero detachment forces can show up. The characteristics of
this rich scenario are discussed in detail in this article.Comment: 14 pages, 9 figures, REVTeX4 style. New version corresponds to the
one accepted by PRE. The result section is restructured: a comparison to
experimental findings is included; the discussion on the influence of
adhesion between AFM tip and membrane is extende
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