Interfacial recognition of human prostate-specific antigen by immobilized monoclonal antibody: effects of solution conditions and surface chemistry.

The specific recognition between monoclonal antibody (anti-human prostate-specific antigen, anti-hPSA) and its antigen (human prostate-specific antigen, hPSA) has promising applications in prostate cancer diagnostics and other biosensor applications. However, because of steric constraints associated with interfacial packing and molecular orientations, the binding efficiency is often very low. In this study, spectroscopic ellipsometry and neutron reflection have been used to investigate how solution pH, salt concentration and surface chemistry affect antibody adsorption and subsequent antigen binding. The adsorbed amount of antibody was found to vary with pH and the maximum adsorption occurred between pH 5 and 6, close to the isoelectric point of the antibody. By contrast, the highest antigen binding efficiency occurred close to the neutral pH. Increasing the ionic strength reduced antibody adsorbed amount at the silica-water interface but had little effect on antigen binding. Further studies of antibody adsorption on hydrophobic C8 (octyltrimethoxysilane) surface and chemical attachment of antibody on (3-mercaptopropyl)trimethoxysilane/4-maleimidobutyric acid N-hydroxysuccinimide ester-modified surface have also been undertaken. It was found that on all surfaces studied, the antibody predominantly adopted the 'flat on' orientation, and antigen-binding capabilities were comparable. The results indicate that antibody immobilization via appropriate physical adsorption can replace elaborate interfacial molecular engineering involving complex covalent attachments.

Nested sampling for materials: the case of hard spheres

The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by studying the three dimensional hard sphere model. Having obtained the partition function, we show how easy it is to calculate the compressibility and the free energy as functions of the packing fraction and local order, verifying that the transition to crystallinity has a very small barrier, and that the entropic contribution of jammed states to the free energy is negligible for packing fractions above the phase transition. We quantify the previously proposed schematic phase diagram and estimate the extent of the region of jammed states. We find that within our samples, the maximally random jammed configuration is surprisingly disordered.

A coordination-based approach to elasticity of floppy and stiff random networks

We study the role of connectivity on the linear and nonlinear elastic behavior of amorphous systems using a two-dimensional random network of harmonic springs as a model system. A natural characterization of these systems arises in terms of the network coordination relative to that of an isostatic network $\delta z$; a floppy network has $\delta z<0$, while a stiff network has $\delta z>0$. Under the influence of an externally applied load we observe that the response of both floppy and rigid network are controlled by the same critical point, corresponding to the onset of rigidity. We use numerical simulations to compute the exponents which characterize the shear modulus, the amplitude of non-affine displacements, and the network stiffening as a function of $\delta z$, derive these theoretically and make predictions for the mechanical response of glasses and fibrous networks.

Boundary effects on the vibration statistics of a random plate

This paper considers the estimation of statistics of displacement of a vibrating rectangular plate with random wave scatterers. The influence of uncertainty is investigated using point impedance theory. Coherent boundary effects are seen, which decrease when the number of scatterers increases. The boundary effect is investigated using images and the first side and corner reflections are found to be a minimum requirement to estimate the spatial correlation. Statistics for point driven response are investigated under the assumption that the statistics of the natural frequencies follow those of the Gaussian Orthogonal Ensemble (GOE). The estimates are compared with Monte Carlo simulation results, and they show good agreement. © 2012 Elsevier Ltd. All rights reserved.

Mixed source model and its adapted vocal tract filter estimate for voice transformation and synthesis

In current methods for voice transformation and speech synthesis, the vocal tract filter is usually assumed to be excited by a flat amplitude spectrum. In this article, we present a method using a mixed source model defined as a mixture of the Liljencrants-Fant (LF) model and Gaussian noise. Using the LF model, the base approach used in this presented work is therefore close to a vocoder using exogenous input like ARX-based methods or the Glottal Spectral Separation (GSS) method. Such approaches are therefore dedicated to voice processing promising an improved naturalness compared to generic signal models. To estimate the Vocal Tract Filter (VTF), using spectral division like in GSS, we show that a glottal source model can be used with any envelope estimation method conversely to ARX approach where a least square AR solution is used. We therefore derive a VTF estimate which takes into account the amplitude spectra of both deterministic and random components of the glottal source. The proposed mixed source model is controlled by a small set of intuitive and independent parameters. The relevance of this voice production model is evaluated, through listening tests, in the context of resynthesis, HMM-based speech synthesis, breathiness modification and pitch transposition. © 2012 Elsevier B.V. All rights reserved.

Spectroscopy of neutron-rich Dy168,170: Yrast band evolution close to the NpNn valence maximum

The yrast sequence of the neutron-rich dysprosium isotope Dy168 has been studied using multinucleon transfer reactions following collisions between a 460-MeV Se82 beam and an Er170 target. The reaction products were identified using the PRISMA magnetic spectrometer and the γ rays detected using the CLARA HPGe-detector array. The 2+ and 4+ members of the previously measured ground-state rotational band of Dy168 have been confirmed and the yrast band extended up to 10+. A tentative candidate for the 4+→2+ transition in Dy170 was also identified. The data on these nuclei and on the lighter even-even dysprosium isotopes are interpreted in terms of total Routhian surface calculations and the evolution of collectivity in the vicinity of the proton-neutron valence product maximum is discussed. © 2010 The American Physical Society.

Random function priors for exchangeable arrays with applications to graphs and relational data

A fundamental problem in the analysis of structured relational data like graphs, networks, databases, and matrices is to extract a summary of the common structure underlying relations between individual entities. Relational data are typically encoded in the form of arrays; invariance to the ordering of rows and columns corresponds to exchangeable arrays. Results in probability theory due to Aldous, Hoover and Kallenberg show that exchangeable arrays can be represented in terms of a random measurable function which constitutes the natural model parameter in a Bayesian model. We obtain a flexible yet simple Bayesian nonparametric model by placing a Gaussian process prior on the parameter function. Efficient inference utilises elliptical slice sampling combined with a random sparse approximation to the Gaussian process. We demonstrate applications of the model to network data and clarify its relation to models in the literature, several of which emerge as special cases.

Band alignment between Ta2O5 and metals for resistive random access memory electrodes engineering

Band alignment of resistive random access memory (RRAM) switching material Ta2O5 and different metal electrode materials was examined using high-resolution X-ray photoelectron spectroscopy. Schottky and hole barrier heights at the interface between electrode and Ta2O 5 were obtained, where the electrodes consist of materials with low to high work function (Φ m, v a c from 4.06 to 5.93 eV). Effective metal work functions were extracted to study the Fermi level pinning effect and to discuss the dominant conduction mechanism. An accurate band alignment between electrodes and Ta2O5 is obtained and can be used for RRAM electrode engineering and conduction mechanism study. © 2013 American Institute of Physics.

On the applicability of the lognormal distribution in random dynamical systems

This paper is concerned with the probability density function of the energy of a random dynamical system subjected to harmonic excitation. It is shown that if the natural frequencies and mode shapes of the system conform to the Gaussian Orthogonal Ensemble, then under common types of loading the distribution of the energy of the response is approximately lognormal, providing the modal overlap factor is high (typically greater than two). In contrast, it is shown that the response of a system with Poisson natural frequencies is not approximately lognormal. Numerical simulations are conducted on a plate system to validate the theoretical findings and good agreement is obtained. Simulations are also conducted on a system made from two plates connected with rotational springs to demonstrate that the theoretical findings can be extended to a built-up system. The work provides a theoretical justification of the commonly used empirical practice of assuming that the energy response of a random system is lognormal.

Shock dynamics of random structures.

Predicting the response of a structure following an impact is of interest in situations where parts of a complex assembly may come into contact. Standard approaches are based on the knowledge of the impulse response function, requiring the knowledge of the modes and the natural frequencies of the structure. In real engineering structures the statistics of higher natural frequencies follows those of the Gaussian Orthogonal Ensemble, this allows the application of random point process theory to get a mean impulse response function by the knowledge of the modal density of the structure. An ensemble averaged time history for both the response and the impact force can be predicted. Once the impact characteristics are known in the time domain, a simple Fourier Transform allows the frequency range of the impact excitation to be calculated. Experimental and numerical results for beams, plates, and cylinders are presented to confirm the validity of the method.

α-Synuclein senses lipid packing defects and induces lateral expansion of lipids leading to membrane remodeling.

There is increasing evidence for the involvement of lipid membranes in both the functional and pathological properties of α-synuclein (α-Syn). Despite many investigations to characterize the binding of α-Syn to membranes, there is still a lack of understanding of the binding mode linking the properties of lipid membranes to α-Syn insertion into these dynamic structures. Using a combination of an optical biosensing technique and in situ atomic force microscopy, we show that the binding strength of α-Syn is related to the specificity of the lipid environment (the lipid chemistry and steric properties within a bilayer structure) and to the ability of the membranes to accommodate and remodel upon the interaction of α-Syn with lipid membranes. We show that this interaction results in the insertion of α-Syn into the region of the headgroups, inducing a lateral expansion of lipid molecules that can progress to further bilayer remodeling, such as membrane thinning and expansion of lipids out of the membrane plane. We provide new insights into the affinity of α-Syn for lipid packing defects found in vesicles of high curvature and in planar membranes with cone-shaped lipids and suggest a comprehensive model of the interaction between α-Syn and lipid bilayers. The ability of α-Syn to sense lipid packing defects and to remodel membrane structure supports its proposed role in vesicle trafficking.

Using sub-word-level information for confidence estimation with conditional random field models

The task of word-level confidence estimation (CE) for automatic speech recognition (ASR) systems stands to benefit from the combination of suitably defined input features from multiple information sources. However, the information sources of interest may not necessarily operate at the same level of granularity as the underlying ASR system. The research described here builds on previous work on confidence estimation for ASR systems using features extracted from word-level recognition lattices, by incorporating information at the sub-word level. Furthermore, the use of Conditional Random Fields (CRFs) with hidden states is investigated as a technique to combine information for word-level CE. Performance improvements are shown using the sub-word-level information in linear-chain CRFs with appropriately engineered feature functions, as well as when applying the hidden-state CRF model at the word level.

Efficient numerical models for investigating the statistics of random dynamic systems

The study of random dynamic systems usually requires the definition of an ensemble of structures and the solution of the eigenproblem for each member of the ensemble. If the process is carried out using a conventional numerical approach, the computational cost becomes prohibitive for complex systems. In this work, an alternative numerical method is proposed. The results for the response statistics are compared with values obtained from a detailed stochastic FE analysis of plates. The proposed method seems to capture the statistical behaviour of the response with a reduced computational cost.

Vibration decay along deepwater moorings with complex geometry and configuration, as a tool for truncation

This paper is concerned with the difficulties in model testing deepwater structures at reasonable scales. An overview of recent research efforts to tackle this challenge is given first, introducing the concept of line truncation. Passive truncation has traditionally been the preferred method by industry; however, these techniques tend to suffer in capturing accurately line dynamic response and so reproducing peak tensions. In an attempt to improve credibility of model test data the proposed truncation procedure sets up the truncated model, based on line dynamic response rather than quasi-static system stiffness. Vibration decay of transverse elastic waves due to fluid drag forces is assessed and it is found that below a certain length criterion, the transverse vibrational characteristics for each line are inertia driven, hence with respect to these motions the truncated model can assume a linear damper whose coefficient depends on the local line properties and vibration frequency. Initially a simplified taut string model is assumed for which the line is submerged in still water, one end fixed at the bottom the other assumed to follow the vessel response, which can be harmonic or random. A dimensional analysis, supported by exact benchmark numerical solutions, has shown that it is possible to produce a general guideline for the truncation length criterion, which is suitable for any kind of line with any top motion. The focus of this paper is to extend this work to a more complex line configuration of a conventional deepwater mooring line and so enhance the generality of the truncation guideline. The paper will close with an example case study of a spread mooring system, applying this method to create an equivalent numerical model at a reduced depth that replicates exactly the static and dynamic characteristics of the full depth system. Copyright © 2012 by ASME.