Improved Eddy-Viscosity Modelling of Turbulent Flow around Porous–Fluid Interface Regions

Transport in Porous Media - The RANS modelling of turbulence across fluid-porous interface regions within ribbed channels has been investigated by applying double (both volume and Reynolds)...     

Sensitive targeted multiple protein quantification based on elemental detection of Quantum Dots

A generic strategy based on the use of CdSe/ZnS Quantum Dots (QDs) as elemental labels for protein quantification, using immunoassays with elemental mass spectrometry (ICP-MS), detection is presented. In this strategy, streptavidin modified QDs (QDs-SA) are bioconjugated to a biotinylated secondary antibody (b-Ab₂). After a multi-technique characterization of the synthesized generic platform (QDs-SA-b-Ab₂) it was applied to the sequential quantification of five proteins (transferrin, complement C3, apolipoprotein A1, transthyretin and apolipoprotein A4) at different concentration levels in human serum samples. It is shown how this generic strategy does only require the appropriate unlabeled primary antibody for each protein to be detected. Therefore, it introduces a way out to the need for the cumbersome and specific bioconjugation of the QDs to the corresponding specific recognition antibody for every target analyte (protein). Results obtained were validated with those obtained using UV–vis spectrophotometry and commercial ELISA Kits.     

Definability of Frobenius orbits and a result on rational distance sets

We prove that the first order theory of (possibly transcendental) meromorphic functions of positive characteristic \(p>2\) is undecidable. We also establish a negative solution to an analogue of Hilbert’s tenth problem for such fields of meromorphic functions, for Diophantine equations including vanishing conditions. These undecidability results are proved by showing that the binary relation \(\exists s\ge 0, f=g^{p^s}\) is positive existentially definable in such fields. We also prove that the abc conjecture implies a solution to the Erdös–Ulam problem on rational distance sets. These two seemingly distant topics are addressed by a study of power values of bivariate polynomials of the form F(X)G(Y).     

The Role of Mechanical Properties and Structure of Type I Collagen Hydrogels on Colorectal Cancer Cell Migration

Mechanical interactions between cells and their microenvironment play an important role in determining cell fate, which is particularly relevant in metastasis, a process where cells invade tissue matrices with different mechanical properties. In vitro, type I collagen hydrogels have been commonly used for modeling the microenvironment due to its ubiquity in the human body. In this work, the combined influence of the stiffness of these hydrogels and their ultrastructure on the migration patterns of HCT-116 and HT-29 spheroids are analyzed. For this, six different types of pure type I collagen hydrogels by changing the collagen concentration and the gelation temperature are prepared. The stiffness of each sample is measured and its ultrastructure is characterized. Cell migration studies are then performed by seeding the spheroids in three different spatial conditions. It is shown that changes in the aforementioned parameters lead to differences in the mechanical stiffness of the matrices as well as the ultrastructure. These differences, in turn, lead to distinct cell migration patterns of HCT-116 and HT-29 spheroids in either of the spatial conditions tested. Based on these results, it is concluded that the stiffness and the ultrastructural organization of the matrix can actively modulate cell migration behavior in colorectal cancer spheroids.     

On the effects of non-linear elements in the reliability-based optimal design of stochastic dynamical systems

The aim of the present paper is to study the effects of non-linear devices on the reliability-based optimal design of structural systems subject to stochastic excitation. One-dimensional hysteretic devices are used for modelling the non-linear system behavior while non-stationary filtered white noise processes are utilized to represent the stochastic excitation. The reliability-based optimization problem is formulated as the minimization of the expected cost of the structure for a specified failure probability. Failure is assumed to occur when any one of the output states of interest exceeds in magnitude some specified threshold level within a given time duration. Failure probabilities are approximated locally in terms of the design variables during the optimization process in a parallel computing environment. The approximations are based on a local interpolation scheme and on an efficient simulation technique. Specifically, a subset simulation scheme is adopted and integrated into the proposed optimization process. The local approximations are then used to define a series of explicit approximate optimization problems. A sensitivity analysis is performed at the final design in order to evaluate its robustness with respect to design and system parameters. Numerical examples are presented in order to illustrate the effects of hysteretic devices on the design of two structural systems subject to earthquake excitation. The obtained results indicate that the non-linear devices have a significant effect on the reliability and global performance of the structural systems.     

A new space–time discretization for the Swift–Hohenberg equation that strictly respects the Lyapunov functional

The Swift–Hohenberg equation is a central nonlinear model in modern physics. Originally derived to describe the onset and evolution of roll patterns in Rayleigh–Bénard convection, it has also been applied to study a variety of complex fluids and biological materials, including neural tissues. The Swift–Hohenberg equation may be derived from a Lyapunov functional using a variational argument. Here, we introduce a new fully-discrete algorithm for the Swift–Hohenberg equation which inherits the nonlinear stability property of the continuum equation irrespectively of the time step. We present several numerical examples that support our theoretical results and illustrate the efficiency, accuracy and stability of our new algorithm. We also compare our method to other existing schemes, showing that is feasible alternative to the available methods.     

Efficient Screening for Ternary Molecular Ionic Cocrystals Using a Complementary Mechanosynthesis and Computational Structure Prediction Approach

The discovery of molecular ionic cocrystals (ICCs) of active pharmaceutical ingredients (APIs) widens the opportunities for optimizing the physicochemical properties of APIs whilst facilitating the delivery of multiple therapeutic agents. However, ICCs are often observed serendipitously in crystallization screens and the factors dictating their crystallization are poorly understood. We demonstrate here that mechanochemical ball milling is a versatile technique for the reproducible synthesis of ternary molecular ICCs in less than 30 min of grinding with or without solvent. Computational crystal structure prediction (CSP) calculations have been performed on ternary molecular ICCs for the first time and the observed crystal structures of all the ICCs were correctly predicted. Periodic dispersion-corrected DFT calculations revealed that all the ICCs are thermodynamically stable (mean stabilization energy=−2 kJ mol⁻¹) relative to the crystallization of a physical mixture of the binary salt and acid. The results suggest that a combined mechanosynthesis and CSP approach could be used to target the synthesis of higher-order molecular ICCs with functional properties.     

Logics from ?{￠}\sqrt{^{\prime}} Quasi-MV Algebras

The purpose of the present article is to extend the scope of some investigations about abstract logics arising quite naturally out of Quasi-MV algebras (for short, qMV algebras) also to ?{^￠}\sqrt{^{\prime}} qMV algebras. We will therefore introduce, mutually compare and (in some cases) axiomatise several logics arising out of the variety of ?{^￠}\sqrt{^{\prime}} qMV algebras and out of some important subclasses of such. Subsequently, we will investigate the same logics by resorting to the methods and techniques of abstract algebraic logic.     

Room temperature synthesis of glycerol carbonate catalyzed by N-heterocyclic carbenes

N-Heterocyclic carbenes were used as efficient organocatalysts for the synthesis of glycerol carbonate from glycerol and dimethyl carbonate. The reaction takes place in a liquid mixture of reactants without solvent at room temperature. It provides glycerol carbonate in high yield using 2.6–4 mol % of catalyst in a reaction period of 20–30 min.