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Adaptive independent component analysis of multichannel electrogastrograms.

The electrogastrogram (EGG), a cutaneous measurement of gastric electrical activity, can be severely contaminated by endogenous biological noise sources such as respiratory signal. Therefore it is important to establish effective artifact removal methods. In this paper, a novel blind signal separation method with a flexible non-linearity is introduced and applied to extract the gastric slow wave from multichannel EGGs. Simulation results show that our algorithm is able to separate a wide range of source signals, including mixtures of Gaussian sources. On real data, we demonstrate the successful applications of our procedure to extract the gastric slow wave from multichannel EGGs. As a result, the extracted clean gastric slow wave can be used to facilitate further analysis, e.g. as a reference signal for multichannel adaptive enhancement of the EGG.

Algorithms↗

Small-angle neutron scattering studies of an adsorbed non-ionic surfactant (C12E24) on hydrophobised silica particles in water.

Small-angle neutron scattering (SANS) studies of aqueous dispersions of Stöber silica particles (which have been hydrophobised by having 1-octadecanol grafted to their surface), carrying an adsorbed layer of the nonionic surfactant C12E24, in water, have been performed as a function of temperature. Using mixtures of D2O and H2O, the composition of the continuous phase was adjusted to have the same scattering length density as the silica particles. Hence, only the scattering from the 1-octadecanol and C12E24 layers was detected. The data have been analyzed using both a surface Guinier analysis and a two-layer structure model. It has been found that a step profile best describes the inner combined adsorbed layer (1-octadecanol grafted chains, plus the penetrating alkyl chains from the surfactant) and a semi-Gaussian profile the extended poly(ethylene oxide) outer layer. Both analyses demonstrated that the combined surface layer contracted with increasing temperature.

Journal Article↗

Proton NMR bandshape studies of lamellar liquid crystals and gel phases containing lecithins and cholesterol.

Proton NMR spectra for gel and liquid crystalline samples, composed of dimyristoyl and/or dipalmitoyl lecithin, cholesterol and water, can be consistently interpreted in terms of mesophase symmetry and molecular diffusion according to a model proposed by Wennerstrom (Wennerstrom, H. (1973) Chem. Phys. Lett. 18, 41-44). It is shown by computer simulation that the characteristic "super-lorentzian" bandshape of the lamellar mesophase can be described by the superposition of three gaussian curves. The NMR signal of the gel phase can be simulated by the superposition of two gaussian curves with widths at half height of 2.5 kHz and 19 kHz. An upper limit of the lateral diffusion coefficient of the lecithin molecules in the gel phase is calculated to be about 5-10(-15) m-2/s. It is therefore concluded that the static intermolecular dipolar couplings average to zero in the lamellar mesophase. An estimation of the order parameter of the liquid crystalline phase is made from experimental data and a calculated "rigid lattice" linewidth. A two phase system is shown to exist in the temperature range 28-34 degrees C for a mesophase of a mixture of dimyristoyl and dipalmitoyl lecithin. The presence of cholesterol results in enhanced lateral diffusion of the lecithin molecules at temperatures below the Chapman transition point.

Binding Sites↗

On numerical classification of solution adsorption isotherms.

To numerically classify solution adsorption isotherms, a difference or deviation measure, DS(mc) (the relative difference between two sums of the adsorption maximum's characteristics of selectivity isotherms x 100), is derived. The measure is applicable to completely miscible binary solutions on solids. This quantity evaluates the difference between an adsorption system and the ideal adsorption system (ideal adsorbed and bulk phases, homogeneous surface, and equal molar area solution components) at the point of maximum adsorption. For model systems, DS(mc)s are calculated at several levels of surface heterogeneity (Gaussian distribution of surface energy) and for different signs of phase nonideality (regular solution phases) on a homogeneous surface and on a simple two-site-type heterogeneous surface. All heterogeneous surfaces have negative DS(mc) values, but nonideal phases have DS(mc)s with signs opposite to the sign of deviation from Raoult's law. DS(mc)s from both U- and S-shape isotherms are reported for 16 experimental systems consisting of hydrocarbon mixtures and both alcohol + hydrocarbon and alcohol + water solutions or acetone + carbon tetrachloride on several silica gels and a variety of carbons.

Journal Article↗

Microscopic self-dynamics in liquid hydrogen and in its mixtures with deuterium.

We have measured the dynamic structure factor of liquid parahydrogen, pure and mixed with deuterium, in various thermodynamic conditions using incoherent inelastic neutron scattering. The experiments were carried out on TOSCA-II, a new time-of-flight, inverse-geometry, crystal-analyzer spectrometer. After an accurate data reduction, the high-energy parts of the neutron spectra recorded in backward scattering were studied through the modified Young and Koppel model, from which the mean kinetic energy values for a hydrogen molecule were estimated. In addition the low-energy parts of the neutron spectra recorded in forward scattering were analyzed in the framework of the Gaussian approximation and fitted through a Levesque-Verlet model for the velocity autocorrelation function. Thus various physical quantities are determined and compared with accurate path integral Monte Carlo simulations. Despite the excellent quality of these fits, the velocity autocorrelation functions derived from the forward-scattering data appear totally unable to properly describe the backward-scattering ones. These findings prove an unquestionable breakdown of the Gaussian approximation in semiquantum liquids. The present results appear of great interest and suggest further investigation on the limits of the widely used Gaussian approximation.

Journal Article↗

Responder cell frequency estimation and binomial three-level nonlinear mixed effects model in limiting dilution assays.

Responder cell frequencies (RCF), which describe vaccine-boosted immune responses in herpes zoster (HZ) prevention studies, have been estimated by using limiting dilution assays (LDA). The theoretical linearity assumption between the logarithm of the proportion of nonresponding wells (s) and the cell concentration (N) (or dilution level) in LDA, based on the single-hit Poisson model, is often violated with observed data resulting in biased estimates of RCF. In this article, the Poisson assumption is modified by applying a mixture of Poisson and gamma distributions, resulting in a negative binomial assumption, which presents a better fit between s and N. In LDA for HZ prevention studies, binary responses (responder or non-responder wells) are measured repeatedly at different cell concentrations and over time. To account for the correlation between responses to varying dilution levels from individuals, and the correlation between repeated assays of individuals over time simultaneously, a binomial three-level nonlinear mixed-effects model is proposed. For parameter estimation, a maximum likelihood method is applied via adaptive Gaussian quadrature. There is a lack of non-Gaussian multilevel nonlinear mixed-effects software, which can execute such a complicated fit. In this article, an algorithm for the three-level nonlinear mixed-effects model, which can be inserted into the code in the SAS procedure NLMIXED, is suggested.

Cell Count↗

Spinodal decomposition in a binary polymer mixture: dynamic self-consistent-field theory and Monte Carlo simulations.

We investigate how the dynamics of a single chain influences the kinetics of early stage phase separation in a symmetric binary polymer mixture. We consider quenches from the disordered phase into the region of spinodal instability. On a mean field level we approach this problem with two methods: a dynamical extension of the self-consistent-field theory for Gaussian chains, with the density variables evolving in time, and the method of the external potential dynamics where the effective external fields are propagated in time. Different wave vector dependencies of the kinetic coefficient are taken into account. These early stages of spinodal decomposition are also studied through Monte Carlo simulations employing the bond fluctuation model that maps the chains-in our case with 64 effective segments-on a coarse grained lattice. The results obtained through self-consistent-field calculations and Monte Carlo simulations can be compared because the time, length, and temperature scales are mapped onto each other through the diffusion constant, the chain extension, and the energy of mixing. The quantitative comparison of the relaxation rate of the global structure factor shows that a kinetic coefficient according to the Rouse model gives a much better agreement than a local, i.e., wave vector independent, kinetic factor. Including fluctuations in the self-consistent-field calculations leads to a shorter time span of spinodal behavior and a reduction of the relaxation rate for smaller wave vectors and prevents the relaxation rate from becoming negative for larger values of the wave vector. This is also in agreement with the simulation results.

Journal Article↗

Mixed distribution analysis identifies saltation and stasis growth.

A maximum likelihood method of mixed distribution analysis is investigated for its utility as a method for the identification of saltation and stasis in longitudinal growth data. Daily infant growth data that have been previously identified to follow a saltatory growth process are employed. This is a novel application of the finite mixed distribution analysis (MDA), a method designed to objectively identify the presence of one or more Gaussian populations. The null hypothesis is that a single Gaussian distribution best describes the incremental growth data. This would be compatible with smooth, slowly varying daily growth patterns. This study explores whether or not two distinctive populations are evident in incremental saltatory growth data, as postulated by the saltation and stasis observations. The analysis is important in providing a growth model-independent test for the presence of saltation and stasis by a separate statistical assessment with none of the saltatory algorithm assumptions. The finite mixed distribution analysis identifies that each individual's incremental growth data is statistically best described as a mixture consisting of two components, or two populations of increments (chi-square, p < 0.05). For each individual, one of these populations is centred about a zero increment, and is compatible with the previous evidence of stasis intervals. The second population of data points is characterized by unique distributions for each individual, compatible with the previous observation that infants grow by unique patterns of growth saltations in both amplitude and frequency. The percentage of data points that fall within each of the two unique finite mixture distributions (FMDs) is similar to the proportions of discrete saltation and stasis intervals previously identified by the saltation and stasis method. Thus, the FMD analysis lends support to the nature of growth as a saltatory process characterized by two states in the daily growth of these infants. By contrast with the saltatory algorithm, which is applied to the original serial growth measurements, the mixed distribution analysis employs increments removed from their time relationships. The lack of time series sequence information precludes the mixed distribution method from reconstructing specific temporal patterns of saltatory growth. The present analysis reiterates that individual growth patterns are statistically unique and cannot be reconstructed or identified from group data.

Biometry↗

Self-consistent field theory of protein adsorption in a non-Gaussian polyelectrolyte brush.

To describe adsorption of globular protein molecules in a polyelectrolyte brush we use the strong-stretching approximation of the Edwards self-consistent field equation, combined with corrections for a non-Gaussian brush. To describe chemical potentials in this mixture of (globular) species of widely varying sizes (ions, brush polyelectrolyte segments, globular protein molecules), we use the Boublik-Mansoori-Carnahan-Starling-Leland equation of state derived for polydisperse mixtures of spherical particles. The polyelectrolyte chain is described in this approach as a string of beads with the beads of a size related to the chain diameter. We use the one-dimensional Poisson equation to describe the electrostatic field and include the ionizable character of both the brush polyions and the protein molecules. This model explains the experimental observation of high amounts of protein adsorption in a polyacid brush for values above the isoelectric point of the protein as being due to charge reversal of the protein molecules upon entry in the brush. We find a distinct minimum in protein concentration near the edge of the brush. With increasing this barrier to protein transfer becomes larger, but much less so when we increase the ionic strength, a difference that might relate to an experimentally observed difference in the protein release rate in these two cases. A free energy analysis shows that the release of small ions from the brush and the increase of brush ionization are the two driving forces for protein adsorption in a like-charged brush.

Journal Article↗

Modeling protein-small molecule interactions: structure and thermodynamics of noble gases binding in a cavity in mutant phage T4 lysozyme L99A.

The complexes of phage T4 lysozyme L99A with noble gases have been studied by molecular dynamics simulation. In a long simulation of the complex with one Xe atom, the structure was found to undergo global conformation change involving a reversible opening and closing of the entrance to the substrate-binding site, during which the conformations of the N and C-terminal domains varied little. The distributions of Xe positions sampled in dynamics simulations were refined in terms of anisotropic Gaussian distributions via least-squares minimization of the difference between Fourier transforms. In addition, molecular transformation simulations have been applied in order to calculate the binding free energies of Xe, Kr and Ar relative to a standard state at a pressure of 1 bar. A single bound Xe is found to assume an equilibrium distribution over three adjacent preferred sites, while in a two-Xe complex, the two Xe atoms preferentially occupy two of these. The positions of the three sites agree closely with the positions of bound Xe determined in the refined crystal structure of a complex formed at a pressure of 8 bar Xe, and the calculated affinities agree well with the observed partial occupancies. At a pressure of 8 bar, a mixture of one-Xe and two-Xe complexes is present, and similarly for complexes with Kr and Ar, with single occupancy relatively more prevalent with Kr and Ar. (Binding of a third Xe atom is found to be quite unfavorable.) A comparison with simulation results for the binding of benzene to the same site leads to the conclusion that binding of Xe within cavities in proteins is common because of several favorable factors: (1) Xe has a large atomic polarizability; (2) Xe can be applied at a relatively high pressure, i.e. high chemical potential; (3) an unfavorable entropic term related to the need to orient the ligand in the binding site is absent. Finally, it is found that the model's binding energy of a water molecule in the cavity is insufficient to overcome the unfavorable binding entropy.

Amino Acid Substitution↗

The method of linear transformation in revealing EEG polyharmonic components in comparison to the Fourier analysis.

The method of linear transformation (LT) in the modification known as method of Buys Ballot was examined in its ability to reveal polyharmonic periodicities in EEG signals. Applying this method to simulated signals-additive mixtures of sinusoids, periodic squared waves and Gaussian noise some rules were found, which can be used in analyzing of EEG signals. The results were compared to that of Discrete Fourier analysis. The conclusion was made that in contrast to the method of Fourier giving the frequency contents, LT method is able to reveal not only the mono- but also polyharmonic components with their waveshape (the reconstruction) even if their frequency bands are overlapping.

Algorithms↗

Steady-state properties of a mean-field model of driven inelastic mixtures.

We investigate a Maxwell model of inelastic granular mixture under the influence of a stochastic driving and obtain its steady-state properties in the context of classical kinetic theory. The model is studied analytically by computing the moments up to the eighth order and approximating the distributions by means of a Sonine polynomial expansion method. The main findings concern the existence of two different granular temperatures, one for each species, and the characterization of the distribution functions, whose tails are in general more populated than those of an elastic system. These analytical results are tested against Monte Carlo numerical simulations of the model and are in general in good agreement. The simulations, however, reveal the presence of pronounced non-Gaussian tails in the case of an infinite temperature bath, which are not well reproduced by the Sonine method.

Journal Article↗

Mechanisms of perceptual learning.

Systematic measurements of perceptual learning were performed in the presence of external or stimulus noise. In the new external noise method (Dosher, B, & Lu, Z.-L. (1997). Investigative Ophthalmology and Visual Science, 38, S687; Lu, Z.-L., & Dosher, B. (1998). Vision Research, 38, 1183-1198), increasing amounts of external noise (white Gaussian random noise) is added to the visual stimulus in order to identify mechanisms of perceptual learning. Performance improved (threshold contrast was reduced) over days of practice on a peripheral orientation discrimination task--labelling Gabor patches as tilted slightly to the right or left. Practice improvements were largely specific to the trained quadrant of the display. Performance improved at all levels of external noise. The external noise method and perceptual template model (PTM) of the observer identifies the mechanism(s) of performance improvements as due to stimulus enhancement, external noise exclusion, or internal noise suppression. The external noise method was further extended by measuring thresholds at two threshold performance levels, allowing identification of mixtures in the PTM model. Perceptual learning over 8-10 days improved the filtering or exclusion of external noise by a factor of two or more, and improved suppression of additive internal noise--equivalent to stimulus enhancement--by 50% or more. Coupled improvements in external noise exclusion and stimulus enhancement in the PTM model may reflect channel weighting. Perceptual learning may not reflect neural plasticity at the level of basic visual channels, nor cognitive adjustments of strategy, but rather plasticity at an intermediate level of weighting inputs to decision.

Discrimination, Psychological↗

Effect of noise contrast polarity and temporal asynchrony on visual sensitivity.

We evaluated the effect of substitutive noise on contrast sensitivity within the context of linear (Fourier) and nonlinear (non-Fourier) visual processes. Orientation judgments for D6 (sixth spatial derivative of Gaussian) patterns were obtained from three visually normal subjects when random regions of the target and background were occluded by small (1.7 arc min) pixel arrays that were either all of the same contrast polarity or a mixture of equal percentages of negative and positive contrast. The target was presented either synchronously or asynchronously with the occluding elements. Our results indicate that the manipulation of noise characteristics in this way can bias performance either toward a nonlinear process that is insensitive to noise contrast polarity but sensitive to temporal asynchrony or toward a quasi-linear process that is sensitive to noise contrast polarity but insensitive to temporal asynchrony. These findings have relevance to models of the effect of spatial sampling on the visual performance of persons with retinal disease.

Adult↗

Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture.

The present work investigates the structure of large polystyrene (PS) chains in solutions of small poly(ethyl methacrylate) (PEMA) microgel particles in toluene. Toluene is a good solvent for the PS chains. The PEMA colloids have an outer radius of R=11 nm which is much smaller in size than the radius of gyration Rg=58 nm of the PS chains. The system is considered to represent the protein limit of polymer-colloid mixtures. Structural investigation is performed by small-angle neutron scattering (SANS) using an appropriate contrast matching. This could be achieved by dissolving fully deuterated PS chains (D8-PS) in solutions of hydrogenated PEMA colloids in hydrogenated toluene (H-toluene). It is first demonstrated that PEMA colloids are satisfactorily contrast matched for SANS in H-toluene if the PEMA concentration does not exceed 200 g/l. Based on these findings, D8-PS is investigated by SANS in pure H-toluene and three different PEMA concentrations in H-toluene. The results indicate a drastic shrinking of D8-PS chain dimensions with increasing PEMA content. Comparison with model curves of star-branched Gaussian chains and Gaussian rings suggest a striking similarity of the respective density-density correlation of those models with the shrunken D8-PS chains. Along with this, a shrinking as large as 0.5 was estimated when the PEMA content reached 200 g/l.

Bacteriophage T4↗

A computational model of auditory selective attention.

The human auditory system is able to separate acoustic mixtures in order to create a perceptual description of each sound source. It has been proposed that this is achieved by an auditory scene analysis (ASA) in which a mixture of sounds is parsed to give a number of perceptual streams, each of which describes a single sound source. It is widely assumed that ASA is a precursor of attentional mechanisms, which select a stream for attentional focus. However, recent studies suggest that attention plays a key role in the formation of auditory streams. Motivated by these findings, this paper presents a conceptual framework for auditory selective attention in which the formation of groups and streams is heavily influenced by conscious and subconscious attention. This framework is implemented as a computational model comprising a network of neural oscillators, which perform stream segregation on the basis of oscillatory correlation. Within the network, attentional interest is modeled as a Gaussian distribution in frequency. This determines the connection weights between oscillators and the attentional process, which is modeled as an attentional leaky integrator (ALI). Acoustic features are held to be the subject of attention if their oscillatory activity coincides temporally with a peak in the ALI activity. The output of the model is an "attentional stream," which encodes the frequency bands in the attentional focus at each epoch. The model successfully simulates a range of psychophysical phenomena.

Action Potentials↗

Global analysis of steady-state polarized fluorescence spectra using trilinear curve resolution.

Global analysis using trilinear curve resolution is described and shown to be a powerful method for the resolution of polarized fluorescence data arrays, in which the measured fluorescence intensity is a separable function of polarization orientation, excitation wavelength, and emission wavelength. This methodology is applicable to mixtures the components of which have linearly independent excitation and emission spectra and distinct anisotropies. Normalized excitation and emission spectra of individual components can be uniquely determined without prior assumptions concerning spectral shapes (e.g., sum of Gaussians) and without the uncertainties inherent in bilinear techniques such as principal component analysis or factor analysis. The normalized excitation and emission vectors are combined with the total absorption spectrum of the multicomponent mixture to compute absolute absorption and emission spectra. The precision of this methodology is evaluated as a function of noise, overlap, relative intensity, and anisotropy difference between components using simulated mixtures of the DNA bases. The ability of this method to extract individual spectra from steady-state fluorescence data arrays is illustrated for mixtures containing two and three components.

Adenosine↗

Nematic-nematic phase separation in binary mixtures of thick and thin hard rods: results from Onsager-like theories.

The fundamental nature of the nematic-nematic phase separation in binary mixtures of rigid hard rods is analyzed within the Onsager second-virial theory and the extension of Parsons and Lee which includes a treatment of the higher-body contributions. The particles of each component are modeled as hard spherocylinders of different diameter , but equal length . In the case of a system which is restricted to be fully aligned (parallel rods), we provide an analytical solution for the spinodal boundary for the limit of stability of demixing; only a single region of coexistence bounded at lower pressures (densities) by a critical point is possible for such a system. The full numerical solution with the Parsons-Lee extension also indicates that, depending on the length of the particles, there is a range of values of the diameter ratio where the phase coexistence is closed off by a critical point at lower pressure. A second region of coexistence can be found at even lower pressures for certain values of the parameters; this region is bounded by an "upper" critical point. The two coexistence regions can also merge to give a single region of coexistence extending to very high pressure without a critical point. By including the higher-order contributions to the excluded volume (end effects) in the Onsager theory, we prove analytically that the existence of the lower critical point is a direct consequence of the finite size of the particles. A new analytical equation of state is derived for the nematic phase using the Gaussian approximation. In the case of Onsager limit (infinite aspect ratio), we show that the phase behavior obtained using the Parsons-Lee approach substantially deviates from that with the Onsager theory for the transition due to the nonvanishing third and higher order virial coefficients. We also provide a detailed discussion of the phase behavior of recent experimental results for mixtures of thin and thick rods of the same length, for which the Onsager and Parsons-Lee theories can provide a qualitative description.

Journal Article↗