Increasing thermoelectric efficiency: a dynamical systems approach

Inspired by the kinetic theory of ergodic gases and chaotic billiards, we propose a simple microscopic mechanism for the increase of thermoelectric efficiency. We consider the cross transport of particles and energy in open classical ergodic billiards. We show that, in the linear response regime, where we find exact expressions for all transport coefficients, the thermoelectric efficiency of ideal ergodic gases can approach the Carnot efficiency for sufficiently complex charge carrier molecules. Our results are clearly demonstrated with a simple numerical simulation of a Lorentz gas of particles with internal rotational degrees of freedom.     

On the electrophysiology of the atrial fast conduction system: an uncertain quantification study

Acta Mechanica Sinica - Cardiac modeling entails the epistemic uncertainty of the input parameters, such as bundles and chambers geometry, electrical conductivities and cell parameters, thus...     

Synthesis of Indenes via Graphene Oxide Mediated Manipulation of Morita-Baylis-Hillman Alcohols

A new metal-free synthetic approach to functionalized indenes is documented. The use of commercially available graphene oxide (GO) allowed the direct access to indenyl cores (yield up to 80 %) via intramolecular Friedel-Crafts-type allylic alkylations with readily available Morita-Baylis-Hillman alcohols. Combined experimental and spectroscopic investigations contributed to shed light on the reaction mechanism dealing with a nanostructured carbon material-based C−C bond forming reaction.     

Controlling the Assembly of Cellulose-Based Oligosaccharides through Sequence Modifications

Peptides and nucleic acids with programmable sequences are widely explored for the production of tunable, self-assembling functional materials. Herein we demonstrate that the primary sequence of oligosaccharides can be designed to access materials with tunable shapes and properties. Synthetic cellulose-based oligomers were assembled into 2D or 3D rod-like crystallites. Sequence modifications within the oligosaccharide core influenced the molecular packing and led to the formation of square-like assemblies based on the rare cellulose IV_II allomorph. In contrast, modifications at the termini generated elongated aggregates with tunable surfaces, resulting in self-healing supramolecular hydrogels.     

A General Organophotoredox Strategy to Difluoroalkyl Bicycloalkane (CF2-BCA) Hybrid Bioisosteres**

Here, we report a general approach to the synthesis of the difluoroalkyl bicycloalkanes (CF₂-BCAs), as structural surrogates of aryl ketones and ethers. The chemistry is driven by a dihydrobenzoacridine photocatalyst, that engages in a catalytic electron-donor acceptor (EDA) complex, or directly reduces the fluorinated substrate. These two convergent manifolds lead to the generation of the R-CF₂ radical, that reacts with the [1.1.1]- or [3.1.1.]-propellane. The method is extremely general, and extendable to complex bioactive molecules (30 examples, up to 87 % yield). The structural features of the CF₂-BCP hybrid bioisostere were investigated by single crystal X-ray. Finally, we synthesised a CF₂-BCP analogue of a Leukotriene A₄ hydrolase inhibitor, replacing the original aryl ether motif. In silico docking studies indicated that this new analogue maintains the same arrangement within the enzyme pocket, profiling the use of the CF₂-BCA hybrid bioisostere in medicinal chemistry settings.