Synthetic dataset for visco-acoustic imaging.

We provide computationally generated dataset simulating propagation of ultrasonic waves in viscous tissues in two and three dimensional domains. The dataset contains physical parameters of a human breast with a high-contrast inclusion, the acquisition setup with positions of sources and receivers, and the associated pressure-wave data at ultrasonic frequencies. We simulated the wave propagation based on seven different viscous models using the physical parameters of the breast. Furthermore, different choices of conditions for the medium's boundaries are given, namely absorbing and reflecting boundaries. The dataset allows to evaluate the performance of reconstruction methods for ultrasound imaging under attenuation model uncertainty, that is, when the precise attenuation law that characterizes the medium is unknown. In addition, the dataset enables to evaluate the robustness of inverse scheme in the context of reflecting boundary conditions where multiple reflections illuminate the sample, and/or the performance of data-processing to suppress these multiple reflections.

Selective nitrogen capture by porous hybrid materials containing accessible transition metal ion sites.

Selective dinitrogen binding to transition metal ions mainly covers two strategic domains: biological nitrogen fixation catalysed by metalloenzyme nitrogenases, and adsorptive purification of natural gas and air. Many transition metal-dinitrogen complexes have been envisaged for biomimetic nitrogen fixation to produce ammonia. Inspired by this concept, here we report mesoporous metal-organic framework materials containing accessible Cr(III) sites, able to thermodynamically capture N2 over CH4 and O2. This fundamental study integrating advanced experimental and computational tools confirmed that the separation mechanism for both N2/CH4 and N2/O2 gas mixtures is driven by the presence of these unsaturated Cr(III) sites that allows a much stronger binding of N2 over the two other gases. Besides the potential breakthrough in adsorption-based technologies, this proof of concept could open new horizons to address several challenges in chemistry, including the design of heterogeneous biomimetic catalysts through nitrogen fixation.