Thermal Control Simulation in High Pressure Treatment of Foods

High hydrostatic pressure (HHP) has become in the last few years a promising technology for food processing and preservation. Pressure treatment of foods always results in a temperature increase due to the work of compression. After compression, heat loss through the metal wall of the high-pressure vessel causes temperature gradients in the processed product. So, it is absolutely necessary to know how thermal exchanges in high-pressure treatments are produced and at what rate in order to establish the real conditions at which a given process is realised. In this paper, a modelling/simulation of the thermal exchanges taking place in a high-pressure pilot unit during different processes of pressurisation and depressurisation is presented. Good agreement between simulated and experimental values is found. This work involves an important advance in optimisation and regulation of high-pressure processes in food industry.     

The use of micro-XRD for the study of glaze color decorations

The compounds responsible for the colors and decorations in glass and glazed ceramics include: coloring agents (transition-metal ions), pigments (micro- and nanoprecipitates of compounds that either do not dissolve or recrystallize in the glassy matrix) and opacifiers (microcrystalline compounds with high light scattering capability). Their composition, structure and range of stability are highly dependent not only on the composition but also on the procedures followed to obtain them. Chemical composition of the colorants and crystallites may be obtained by means of SEM-EDX and WDX. Synchrotron radiation micro-X-ray diffraction (SR-micro-XRD) has a small beam size adequate (10 to 50 microns footprint size) to obtain the structural information of crystalline compounds and high brilliance, optimal for determining the crystallites even when present in low amounts. In addition, in glass decorations the crystallites often appear forming thin layers (from 10 to 100 micrometers thick) and they show a depth-dependent composition and crystal structure. Their nature and distribution across the glass/glaze decorations gives direct information on the technology of production and stability and may be related to the color and appearance. A selection of glass and glaze coloring agents and decorations are studied by means of SR-micro-XRD and SEM-EDX including: manganese brown, antimony yellow, red copper lusters and cobalt blue. The selection includes Medieval (Islamic, and Hispano Moresque) and Renaissance tin-glazed ceramics from the 10th to the 17th century AD.     

Anomaly formulas for the complex-valued analytic torsion on compact bordisms

We extend the complex-valued analytic torsion, introduced by Burghelea and Haller on closed manifolds, to compact Riemannian bordisms. We do so by considering a flat complex vector bundle over a compact Riemannian manifold, endowed with a fiberwise nondegenerate symmetric bilinear form. The Riemmanian metric and the bilinear form are used to define non-selfadjoint Laplacians acting on vector-valued smooth forms under absolute and relative boundary conditions. In order to define the complex-valued analytic torsion in this situation, we study spectral properties of these generalized Laplacians. Then, as main results, we obtain so-called anomaly formulas for this torsion. Our reasoning takes into account that the coefficients in the heat trace asymptotic expansion associated to the boundary value problem under consideration, are locally computable. The anomaly formulas for the complex-valued Ray–Singer torsion are derived first by using the corresponding ones for the Ray–Singer metric, obtained by Brüning and Ma on manifolds with boundary, and then an argument of analytic continuation. In odd dimensions, our anomaly formulas are in accord with the corresponding results of Su, without requiring the variations of the Riemannian metric and bilinear structures to be supported in the interior of the manifold.     

A New Hybrid Evolutionary Multiobjective Algorithm Guided by Descent Directions

Hybridization of local search based algorithms with evolutionary algorithms is still an under-explored research area in multiobjective optimization. In this paper, we propose a new multiobjective algorithm based on a local search method. The main idea is to generate new non-dominated solutions by adding a linear combination of descent directions of the objective functions to a parent solution. Additionally, a strategy based on subpopulations is implemented to avoid the direct computation of descent directions for the entire population. The evaluation of the proposed algorithm is performed on a set of benchmark test problems allowing a comparison with the most representative state-of-the-art multiobjective algorithms. The results show that the proposed approach is highly competitive in terms of the quality of non-dominated solutions and robustness.     

Real-time NMR characterization of structure and dynamics in a transiently populated protein folding intermediate

Recent advances in NMR spectroscopy and the availability of high magnetic field strengths now offer the possibility to record real-time 3D NMR spectra of short-lived protein states, e.g., states that become transiently populated during protein folding. Here we present a strategy for obtaining sequential NMR assignments as well as atom-resolved information on structural and dynamic features within a folding intermediate of the amyloidogenic protein β2-microglobulin that has a half-lifetime of only 20 min.     

Twitter reciprocal reply networks exhibit assortativity with respect to happiness

The advent of social media has provided an extraordinary, if imperfect, ‘big data’ window into the form and evolution of social networks. Based on nearly 40 million message pairs posted to Twitter between September 2008 and February 2009, we construct and examine the revealed social network structure and dynamics over the time scales of days, weeks, and months. At the level of user behavior, we employ our recently developed hedonometric analysis methods to investigate patterns of sentiment expression. We find users’ average happiness scores to be positively and significantly correlated with those of users one, two, and three links away. We strengthen our analysis by proposing and using a null model to test the effect of network topology on the assortativity of happiness. We also find evidence that more well connected users write happier status updates, with a transition occurring around Dunbar's number. More generally, our work provides evidence of a social sub-network structure within Twitter and raises several methodological points of interest with regard to social network reconstructions.     

Ribet bimodules and the specialization of Heegner points

For a given order R in an imaginary quadratic field K, we study the specialization of the set CM(R) of Heegner points on the Shimura curve X = X ₀(D, N) at primes p | DN. As we show, if p does not divide the conductor of R, a point P ∈ CM(R) specializes to a singular point (resp. a irreducible component) of the special fiber [(X)\tilde]\tilde X of X at p if p ramifies (resp. does not ramify) in K. Exploiting the moduli interpretation of X ₀(D, N) and K. Ribet’s theory of bimodules, we give a construction of a correspondence Φ between CM(R) and a set of conjugacy classes of optimal embeddings of R into a suitable order in a definite quaternion algebra that allows the explicit computation of these specialization maps. This correspondence intertwines the natural actions of Pic(R) and of an Atkin-Lehner group on both sides. As a consequence of this and the work of P. Michel, we derive a result of equidistribution of Heegner points in [(X)\tilde]\tilde X. We also illustrate our results with an explicit example.     

Randomly Pk-decomposable graphs

A graph $G$ is $H$-decomposable if it can be expressed as an edge-disjoint union of subgraphs, each subgraph isomorphic to $H$. If $G$ has the additional property that every $H$-decomposable subgraph of $G$ is part of an $H$-decomposition of $G$, then $G$ is randomly $H$-decomposable. Using computer assistance, we provide in this paper a characterization of randomly path-decomposable graphs for paths of length 11 or less. We also prove the following two results: (1) With one small exception, randomly $P_k$-decomposable graphs with a vertex of odd degree do not contain a $P_{k+1}$-subgraph, (2) When the edges of a $P_k$-subgraph are deleted from a connected randomly $P_k$-decomposable graph, the resulting graph has at most one nontrivial component.     

Template effects in S(N)2 displacements for the preparation of pseudopeptidic macrocycles

Macrocyclisation reactions of C(2)-symmetric pseudopeptides containing central pyridine-derived spacers are affected by the presence of different anions. The selection of the proper anion gives excellent results for the preparation of the corresponding macrocyclic structures. Kinetic studies show that the presence of those anions enhances both the yield and the rate of the reaction. Computational studies at the B3LYP/6-31G* level have allowed us to rationalise the experimental results. The obtained transition states (TSs) show that the interaction between the anion and the open-chain pseudopeptidic chain has a stabilising effect. The anion stabilises the two TSs involved: the first one, which involves the formation of the initial bond between the two subunits and leads to an open-chain intermediate, and the second one, which precedes the formation of the cyclic structure. The optimum anion (Br(-) when the central spacer is derived from 2,6-bis(aminomethyl)pyridine, is able to act as a template, in that it forces the two ends of the open-chain intermediate to approach each other by forming hydrogen bonds with the two amino acid subunits present in the intermediate. This stabilises the second TS to a greater extent than the first one, and thus, favours macrocyclisation over the competing oligomerisation reactions. The computational calculations also allowed us to predict the outcome of new experiments. Accordingly, the synthesis of the pseudopeptidic macrocycle derived from 2,6-diaminopyridine was not successful under the optimised conditions previously used. Nevertheless, calculations predicted that in this case Cl(-) should be more efficient than Br(-), and this was subsequently experimentally confirmed. Interestingly, the presence of different substituents on the constituent amino acids seems to play a minor role in the overall process.     

Reversible solvatomagnetic switching in a spongelike manganese(II)-copper(II) 3D open framework with a pillared square/octagonal layer architecture

The concept of "molecular magnetic sponges" was introduced for the first time in 1999 by the creative imagination of the late Olivier Kahn. It refers to the exotic spongelike behavior of certain molecule-based materials that undergo a dramatic change of their magnetic properties upon reversible dehydration/rehydration processes. Here we report a unique example of a manganese(II)-copper(II) mixed-metal-organic framework of formula [Na(H(2)O)(4)](4)[Mn(4){Cu(2)(mpba)(2)(H(2)O)(4)}(3)]·56.5H(2)O (1) (mpba=N,N'-1,3-phenylenebis(oxamate)). Compound 1 possesses a 3D Mn(II)(4)Cu(II)(6) pillared layer structure with mixed square and octagonal pores of approximate dimensions 1.2×1.2 nm and 2.1×3.0 nm, respectively, hosting a large amount of crystallization H(2)O molecules and hydrated Na(I) countercations as guests. It reversibly switches from a crystalline hydrated phase with long-range ferromagnetic ordering at a rather high critical temperature (T(c)) of 22.5 K to an amorphous dehydrated phase with T(c) as low as 2.3 K, which is accompanied by a breathing-type dynamic effect involving a large crystal volume (ca. 45%) and color changes after water desorption/adsorption. The combination of both the open-framework structure and the spongelike optical, mechanical, and magnetic switching behavior in this new class of oxamato-based porous magnets offers fascinating possibilities in designing multifunctional materials for host-guest molecular sensing.