Consistent modeling of a single PEM fuel cell using Onsager's principle

In this paper a novel approach is proposed for a three-dimensional (3D) modeling of a High Temperature Exchange Membrane Fuel Cell (HTPEMFC). This new modeling is based on Onsager's principle of minimum energy dissipation that is applicable for near equilibrium and coupled irreversible systems. In particular, for low conductivity membranes, this leads to a one directional proton movement through the membrane. The resulting equations are numerically solved for a real single cell geometry, using a 3D finite volume discretization. Results are analyzed and validated against experimental data

Consistent behavior of Eulerian Monte Carlo fields at Low Reynolds Numbers

A slightly different version of the Eulerian Monte Carlo method (EMC) (Valiño, Flow Turbul. Combust. 60, 157–172, (1998)) is presented in this paper. The EMC method is an effective stochastic numerical approach to solve the Probability Density Function (PDF) of reacting species in turbulent flows. In contrast with the original formulation, the spurious Wiener term associated with the molecular diffusion is removed, by splitting the micro-mixing into mean gradient and fluctuating contributions. The evolution of the EMC fields representing the PDF in the proposed formulation is then consistent in the laminar limit: the EMC fields follow the same standard convection-diffusion equation, without any stochastic terms

Parameter characterization of HTPEMFC using numerical simulation and genetic algorithms

This paper develops a novel approach to the parameterisation of high temperature exchange membrane fuel cells (HTPEMFC) with limited and non-invasive measurements. The proposed method allows an effective identification of electrochemical parameters for three-dimensional fuel cell models by combining computational simulation tools and genetic algorithms. To avoid each evaluation undertaken by the optimisation method involving a complete computational simulation of the 3D model, a strategy has been designed that, thanks to an iterative process, makes it possible to decouple the fluid dynamic resolution from the electrochemistry one. Two electrochemical models have been incorporated into these tools to describe the behaviour of the catalyst layer, Butler-Volmer and spherical aggregate. For each one, a case study has been carried out to validate the results by comparing them with empirical data in the first model and with data generated by numerical simulation in the second. Results show that, from a set of measured operating conditions, it is possible to identify a unique set of electrochemical parameters that fits the 3D model to the target polarisation curve. The extension of this framework can be used to systematically estimate any model parameter in order to reduce the uncertainty in 3D simulation predictions. © 2021 The Author(s

A commutant realization of W^(2)_n at critical level

For n\geq 2, there is a free field realization of the affine vertex superalgebra A associated to psl(n|n) at critical level inside the bc\beta\gamma system W of rank n^2. We show that the commutant C=Com(A,W) is purely bosonic and is freely generated by n+1 fields. We identify the Zhu algebra of C with the ring of invariant differential operators on the space of n\times n matrices under SL_n \times SL_n, and we classify the irreducible, admissible C-modules with finite dimensional graded pieces. For n\leq 4, C is isomorphic to the W_n^{(2)}-algebra at critical level, and we conjecture that this holds for all n.Comment: Some corrections and expository improvements, references added, final version. arXiv admin note: text overlap with arXiv:1201.016

Tracing oncogene-driven remodelling of the intestinal stem cell niche

Interactions between tumour cells and the surrounding microenvironment contribute to tumour progression, metastasis and recurrence1–3. Although mosaic analyses in Drosophila have advanced our understanding of such interactions4,5, it has been difficult to engineer parallel approaches in vertebrates. Here we present an oncogene-associated, multicolour reporter mouse model—the Red2Onco system—that allows differential tracing of mutant and wild-type cells in the same tissue. By applying this system to the small intestine, we show that oncogene-expressing mutant crypts alter the cellular organization of neighbouring wild-type crypts, thereby driving accelerated clonal drift. Crypts that express oncogenic KRAS or PI3K secrete BMP ligands that suppress local stem cell activity, while changes in PDGFRloCD81+ stromal cells induced by crypts with oncogenic PI3K alter the WNT signalling environment. Together, these results show how oncogene-driven paracrine remodelling creates a niche environment that is detrimental to the maintenance of wild-type tissue, promoting field transformation dominated by oncogenic clones

Morphology and Nanomechanics of Sensory Neurons Growth Cones following Peripheral Nerve Injury

A prior peripheral nerve injury in vivo, promotes a rapid elongated mode of sensory neurons neurite regrowth in vitro. This in vitro model of conditioned axotomy allows analysis of the cellular and molecular mechanisms leading to an improved neurite re-growth. Our differential interference contrast microscopy and immunocytochemistry results show that conditioned axotomy, induced by sciatic nerve injury, did not increase somatic size of adult lumbar sensory neurons from mice dorsal root ganglia sensory neurons but promoted the appearance of larger neurites and growth cones. Using atomic force microscopy on live neurons, we investigated whether membrane mechanical properties of growth cones of axotomized neurons were modified following sciatic nerve injury. Our data revealed that neurons having a regenerative growth were characterized by softer growth cones, compared to control neurons. The increase of the growth cone membrane elasticity suggests a modification in the ratio and the inner framework of the main structural proteins

A Target-Based High Throughput Screen Yields Trypanosoma brucei Hexokinase Small Molecule Inhibitors with Antiparasitic Activity

African sleeping sickness is a disease found in sub-Saharan Africa that is caused by the single-celled parasite Trypanosoma brucei. The drugs used widely now to treat infections are 50 years old and notable for their toxicity, emphasizing the need for development of new therapeutics. In the search for potential drug targets, researchers typically focus on enzymes or proteins that are essential to the survival of the infectious agent while being distinct enough from the host to avoid accidental targeting of the host enzyme. This work describes our research on one such trypanosome enzyme, hexokinase, which is a protein that the parasite requires to make energy. Here we describe the results of our search for inhibitors of the parasite enzyme. By screening 220,223 compounds for anti-hexokinase activity, we have identified new inhibitors of the parasite enzyme. Some of these are toxic to trypanosomes while having no effect on mammalian cells, suggesting that they may hold promise for the development of new anti-parasitic compounds

A target-based high throughput screen yields Trypanosoma brucei hexokinase small molecule inhibitors with antiparasitic activity. PLoS Negl Trop. Dis

Abstract Background: The parasitic protozoan Trypanosoma brucei utilizes glycolysis exclusively for ATP production during infection of the mammalian host. The first step in this metabolic pathway is mediated by hexokinase (TbHK), an enzyme essential to the parasite that transfers the c-phospho of ATP to a hexose. Here we describe the identification and confirmation of novel small molecule inhibitors of bacterially expressed TbHK1, one of two TbHKs expressed by T. brucei, using a high throughput screening assay