Parametric data-based turbulence modelling for vortex dominated flows

Computational fluid dynamics simulations employing eddy-viscosity turbulence models remain the baseline numerical tool in the aerospace industry, mainly due to their numerical stability and computational efficiency. However, many industrially relevant cases require a level of accuracy that is not routinely achieved by global turbulence models. The simulation of leading-edge vortices shed at low aspect ratio wings is one such class of flows that remains a challenge for turbulence modelling. A local approach is proposed in which a parametrised eddy-viscosity turbulence model is calibrated using experimental results of configurations and flow conditions similar to the one being analysed. In this paper, the Spalart–Allmaras one-equation model is enhanced with additional source terms, which are exclusively active in the vortex field. An automatic optimisation procedure with experimental data as reference is then applied. The resulting optimised model improves the eddy viscosity distribution for a limited but relevant range of configurations and flow conditions.     

Asymmetric Relatedness from Partial Correlation

Relatedness is a key concept in economic complexity, since the assessment of the similarity between industrial sectors enables policymakers to design optimal development strategies. However, among the different ways to quantify relatedness, a measure that takes explicitly into account the time correlation structure of exports is still lacking. In this paper, we introduce an asymmetric definition of relatedness by using statistically significant partial correlations between the exports of economic sectors and we apply it to a recently introduced database that integrates the export of physical goods with the export of services. Our asymmetric relatedness is obtained by generalising a recently introduced correlation-filtering algorithm, the partial correlation planar graph, in order to allow its application on multi-sample and multi-variate datasets, and in particular, bipartite temporal networks. The result is a network of economic activities whose links represent the respective influence in terms of temporal correlations; we also compute the statistical confidence of the edges in the network via an adapted bootstrapping procedure. We find that the underlying influence structure of the system leads to the formation of intuitively-related clusters of economic sectors in the network, and to a relatively strong assortative mixing of sectors according to their complexity. Moreover, hub nodes tend to form more robust connections than those in the periphery.     

Conversion of the Native N-Terminal Domain of TDP-43 into a Monomeric Alternative Fold with Lower Aggregation Propensity

TAR DNA-binding protein 43 (TDP-43) forms intraneuronal cytoplasmic inclusions associated with amyotrophic lateral sclerosis and ubiquitin-positive frontotemporal lobar degeneration. Its N-terminal domain (NTD) can dimerise/oligomerise with the head-to-tail arrangement, which is essential for function but also favours liquid-liquid phase separation and inclusion formation of full-length TDP-43. Using various biophysical approaches, we identified an alternative conformational state of NTD in the presence of Sulfobetaine 3-10 (SB3-10), with higher content of α-helical structure and tryptophan solvent exposure. NMR shows a highly mobile structure, with partially folded regions and β-sheet content decrease, with a concomitant increase of α-helical structure. It is monomeric and reverts to native oligomeric NTD upon SB3-10 dilution. The equilibrium GdnHCl-induced denaturation shows a cooperative folding and a somewhat lower conformational stability. When the aggregation processes were compared with and without pre-incubation with SB3-10, but at the identical final SB3-10 concentration, a slower aggregation was found in the former case, despite the reversible attainment of the native conformation in both cases. This was attributed to protein monomerization and oligomeric seeds disruption by the conditions promoting the alternative conformation. Overall, the results show a high plasticity of TDP-43 NTD and identify strategies to monomerise TDP-43 NTD for methodological and biomedical applications.     

Gas Chromatography Combustion Isotope Ratio Mass Spectrometry to Detect Differences in Four Compartments of Simmental Cows Fed on C3 and C4 Diets

Fatty acids (FAs) metabolism in animals represents an important field of study since they influence the quality and the properties of the meat. The aim of this study is to assess the possibility to discriminate the diets of cows in different animal compartments and to study the fate of dietary FAs in the bovine organism, using carbon isotopic ratios. Five FAs, both essential (linoleic and linolenic) and non-essential (palmitic, stearic, and oleic) in four compartments (feed, rumen, liver, meat) of animals fed two different diets (based on either C3 or C4 plants) were considered. For all compartments, the carbon isotopic ratio (δ¹³C) of all FAs (with few exceptions) resulted significantly lower in cows fed on C3 than C4 plants, figuring as a powerful tool to discriminate between different diets. Moreover, chemical reactions taking place in each animal compartment result in fraction processes affecting the δ¹³C values. The δ¹³C_FAs tendentially increase from feed to meat in group C3. On the other hand, the δ¹³C_FAs generally increase from rumen to liver in group C4, while δ¹³C_FAs of rumen and meat are mostly not statistically different. Different trends in the δ¹³C_FAs of the two groups suggested different FAs fates depending on the diet.     

Investigation of Sulfonated Graphene Oxide as the Base Material for Novel Proton Exchange Membranes

This work deals with the development of graphene oxide (GO)-based self-assembling membranes as possible innovative proton conductors to be used in polymer electrolyte membrane fuel cells (PEMFCs). Nowadays, the most adopted electrolyte is Chemours’ Nafion; however, it reveals significant deficiencies such as strong dehydration at high temperature and low humidity, which drastically reduces its proton conductivity. The presence of oxygenated moieties in the GO framework makes it suitable for functionalization, which is required to enhance the promising, but insufficient, proton-carrying features of GO. In this study, sulfonic acid groups (–SO₃H) that should favor proton transport were introduced in the membrane structure via a reaction between GO and concentrated sulfuric acid. Six acid-to-GO molar ratios were adopted in the synthesis procedure, giving rise to final products with different sulfonation degrees. All the prepared samples were characterized by means of TGA, ATR-FTIR and Raman spectroscopy, temperature-dependent XRD, SEM and EDX, which pointed out morphological and microstructural changes resulting from the functionalization stage, confirming its effectiveness. Regarding functional features, electrochemical impedance spectroscopy (EIS) as well as measurements of ion exchange capacity (IEC) were carried out to describe the behavior of the various samples, with pristine GO and commercial Nafion^® 212 used as reference. EIS tests were performed at five different temperatures (20, 40, 60, 80 and 100 °C) under high (95%) and medium (42%) relative humidity conditions. Compared to both GO and Nafion^® 212, the sulfonated specimens demonstrate an increase in the number of ion-carrying groups, as proved by both IEC and EIS tests, which reveal the enhanced proton conductivity of these novel membranes. Specifically, an acid-to-GO molar ratio of 10 produces a six-fold improvement of IEC (4.23 meq g⁻¹) with respect to pure GO (0.76 meq g⁻¹), while a maximum eight-fold improvement (5.72 meq g⁻¹) is achieved in SGO-15.     

Transport Efficiency of Continuous-Time Quantum Walks on Graphs

Continuous-time quantum walk describes the propagation of a quantum particle (or an excitation) evolving continuously in time on a graph. As such, it provides a natural framework for modeling transport processes, e.g., in light-harvesting systems. In particular, the transport properties strongly depend on the initial state and specific features of the graph under investigation. In this paper, we address the role of graph topology, and investigate the transport properties of graphs with different regularity, symmetry, and connectivity. We neglect disorder and decoherence, and assume a single trap vertex that is accountable for the loss processes. In particular, for each graph, we analytically determine the subspace of states having maximum transport efficiency. Our results provide a set of benchmarks for environment-assisted quantum transport, and suggest that connectivity is a poor indicator for transport efficiency. Indeed, we observe some specific correlations between transport efficiency and connectivity for certain graphs, but, in general, they are uncorrelated.