Asynchronous distributed state estimation based on a continuous‐time stochastic model

In this paper, the problem of state estimation in an asynchronous distributed multi‐sensor estimation (ADE) system is considered. In such an ADE system, the state of a plant of interest is estimated by a group of local estimators. Each local estimator based, for example, on a Kalman filter, performs fusion of data from its local sensor and other (remote) processors to compute possibly best state estimates. In performing data fusion, however, two important issues need to be addressed, namely, the problem of asynchronism of local processors and the one of unknown correlation between asynchronous data in local processors. Consequently, there are two main contributions proposed in this paper. The first is a method to deal with asynchronous discrete‐time data based on a continuous‐time stochastic plant model. The second contribution is an asynchronous distributed data‐fusion algorithm. Simulated experiments illustrate the effectiveness of the proposed ADE approach. Copyright © 2011 John Wiley & Sons, Ltd.     

In vitro intestinal absorption of amino acid mixtures extracted from codfish (Gadus morhua L.) salting wastewater

This study reports on the intestinal permeability of salt‐containing mixtures of amino acids extracted from codfish salting wastewater. Permeability was evaluated in vitro using the Caco‐2 cell line model; cell integrity during exposure to mixtures of amino acids was estimated by measuring the transepithelial electrical resistance (TEER). The effect of salt (NaCl) on the permeability and on the intestinal cell's integrity was also examined. Permeation rate (i.e. transport) was ≥95% for all amino acids except for creatine, for which it was 6%. Values for apparent permeability coefficients, P_app > 10^?5 cm s^?1, for mixture with isotonic concentration of NaCl suggest that amino acids are very likely to be absorbed in humans. Mixture with a hypertonic level of NaCl exerts a cytotoxic effect in intestinal cells resulting in a loss of epithelium integrity. Results show that isotonic mixture of amino acids extracted from codfish salting wastewater could be used in food, feed, cosmetic and pharmaceutical formulations. These applications could contribute to the fish industry sustainability.     

[2.2]Paracyclophane-Based TCN-201 Analogs as GluN2A-Selective NMDA Receptor Antagonists

Recent studies have shown the involvement of GluN2A subunit-containing NMDA receptors in various neurological and pathological disorders. In the X-ray crystal structure, TCN-201 ( 1 ) and analogous pyrazine derivatives 2 and 3 adopt a U-shape (hairpin) conformation within the binding site formed by the ligand binding domains of the GluN1 and GluN2A subunits. In order to mimic the resulting π/π-interactions of two aromatic rings in the binding site, a [2.2]paracyclophane system was designed to lock these aromatic rings in a parallel orientation. Acylation of [2.2]paracyclophane ( 5 ) with oxalyl chloride and chloroacetyl chloride and subsequent transformations led to the oxalamide 7 , triazole 10 and benzamides 12 . The GluN2A inhibitory activities of the paracyclophane derivatives were tested with two-electrode voltage clamp electrophysiology using Xenopus laevis oocytes expressing selectively functional NMDA receptors with GluN2A subunit. The o-iodobenzamide 12 b with the highest similarity to TCN-201 showed the highest GuN2A inhibitory activity of this series of compounds. At a concentration of 10 μM, 12 b reached 36 % of the inhibitory activity of TCN-201 ( 1 ). This result indicates that the [2.2]paracyclophane system is well accepted by the TCN-201 binding site.     

Isothermal rheokinetic study of a precured resol resin beyond gelation by torsion

The rheokinetics of the curing process of a resol resin was studied through isothermal analysis. The resin was subjected to a curing pretreatment until gelation was reached. Rectangular torsion was chosen as the appropriate strain form to carry out the study of the resin's curing kinetics, because the viscoelastic behavior of the material was closer to an ideal solid than to a Newtonian fluid. Seven operating temperatures were selected for analysis (80–110°C). The Arrhenius and Kiuna rheokinetic models were applied to the resin's complex viscosity (η*) evolution during the crosslinking of polymer. The resol resin had curing activation energies of 62.6 and 65.8 kJ/mol when the Arrhenius model was applied in four‐ and six‐parameter forms, respectively. The Kiuna model was proposed to fit the nonlinear viscosity region found at the highest temperatures. This model was suitable to predict changes in the resin's complex viscosity, obtaining a curing activation energy of 69.5 kJ/mol for the resin. In addition, the evolution of the degree of mechanical curing was obtained from the elastic modulus, rather than from the more common DSC technique. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012     

Physics inspired algorithms for (co)homology computations of three-dimensional combinatorial manifolds with boundary

The issue of computing (co)homology generators of a cell complex is gaining a pivotal role in various branches of science. While this issue may be rigorously solved in polynomial time, it is still overly demanding for large scale problems. Drawing inspiration from low-frequency electrodynamics, this paper presents a physics inspired algorithm for first cohomology group computations on three-dimensional complexes. The algorithm is general and exhibits orders of magnitude speed up with respect to competing ones, allowing to handle problems not addressable before. In particular, when generators are employed in the physical modeling of magneto-quasistatic problems, this algorithm solves one of the most long-lasting problems in low-frequency computational electromagnetics. In this case, the effectiveness of the algorithm and its ease of implementation may be even improved by introducing the novel concept of lazy cohomology generators.     

Lactic acid production using waste generated from sweet potato processing

Organic waste generated from industrial sweet potato canning is estimated to be 30% of incoming raw material with significant residual carbohydrate content. The purpose of this study was to evaluate the potential of waste generated from sweet potato processing material to support the growth of lactic acid bacteria and the production of lactic acid. The waste was comprised of 16.5% solids consisting of 18.5% ash, 4.4% protein, 20.5% simple sugars and 19% soluble starch. Following a screening of three lactic acid bacteria strains, Lactobacillus rhamnosus was deemed the best candidate for lactic acid production. The potential of various dilutions of the enzyme‐hydrolysed waste, with and without pH control, as a fermentation substrate was evaluated. Lactic acid production was highest in hydrolysed waste (without dilution) at pH set point 5.0, yielding 10 g L^?1 in 72 h. Thus, lactic acid, a valuable organic compound, can be generated from sweet potato waste.     

Towards Automated Binding Affinity Prediction Using an Iterative Linear Interaction Energy Approach

Binding affinity prediction of potential drugs to target and off-target proteins is an essential asset in drug development. These predictions require the calculation of binding free energies. In such calculations, it is a major challenge to properly account for both the dynamic nature of the protein and the possible variety of ligand-binding orientations, while keeping computational costs tractable. Recently, an iterative Linear Interaction Energy (LIE) approach was introduced, in which results from multiple simulations of a protein-ligand complex are combined into a single binding free energy using a Boltzmann weighting-based scheme. This method was shown to reach experimental accuracy for flexible proteins while retaining the computational efficiency of the general LIE approach. Here, we show that the iterative LIE approach can be used to predict binding affinities in an automated way. A workflow was designed using preselected protein conformations, automated ligand docking and clustering, and a (semi-)automated molecular dynamics simulation setup. We show that using this workflow, binding affinities of aryloxypropanolamines to the malleable Cytochrome P450 2D6 enzyme can be predicted without a priori knowledge of dominant protein-ligand conformations. In addition, we provide an outlook for an approach to assess the quality of the LIE predictions, based on simulation outcomes only.     

Creep behaviour of a new air-hardenable intermetallic Ti–46Al–8Ta alloy

Creep behaviour of a new cast air-hardenable intermetallic Ti–46Al–8Ta (at.%) alloy was investigated. Constant load tensile creep tests were performed at initial applied stresses ranging from 200 to 400 MPa in the temperature range from 973 to 1073 K. The minimum creep rate is found to depend strongly on the applied stress and temperature. The power law stress exponent of the minimum creep rate is n = 5.8 and the apparent activation energy for creep is calculated to be Q_a = (382.9 ± 14.5) kJ/mol. The kinetics of creep deformation of the specimens tested to a minimum creep rate (creep deformation about 2%) is suggested to be controlled by non-conservative motion of dislocations in the γ(TiAl) matrix. Besides dislocation mechanisms, deformation twinning contributes significantly to overall measured strains in the specimens tested to fracture. The initial γ(TiAl) + α₂(Ti₃Al) microstructure of the creep specimens is unstable and transforms to the γ + α₂ + τ type during creep. The particles of the τ phase are preferentially formed along the grain and lamellar colony boundaries.     

Exact 3D boundary representation in finite element analysis based on Cartesian grids independent of the geometry

This paper proposes a novel Immersed Boundary Method where the embedded domain is exactly described by using its Computer‐Aided Design (CAD) boundary representation with Non‐Uniform Rational B‐Splines (NURBS) or T‐splines. The common feature with other immersed methods is that the current approach substantially reduces the burden of mesh generation. In contrast, the exact boundary representation of the embedded domain allows to overcome the major drawback of existing immersed methods that is the inaccurate representation of the physical domain. A novel approach to perform the numerical integration in the region of the cut elements that is internal to the physical domain is presented and its accuracy and performance evaluated using numerical tests. The applicability, performance, and optimal convergence of the proposed methodology is assessed by using numerical examples in three dimensions. It is also shown that the accuracy of the proposed methodology is independent on the CAD technology used to describe the geometry of the embedded domain. Copyright © 2015 John Wiley & Sons, Ltd.