Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry.

One of the most intensely studied areas of f-block chemistry is the nature of the bonds between the f-element and another species, and in particular the role played by covalency. Computational quantum chemical methods have been at the forefront of this research for decades and have a particularly valuable role, given the radioactivity of the actinide series. The very strong agreement that has recently emerged between theory and the results of a range of spectroscopic techniques not only facilitates deeper insight into the experimental data, but it also provides confidence in the conclusions from the computational studies.

Quantifying Covalency and Environmental Effects in RASSCF-Simulated O K-Edge XANES of Uranyl.

A RASSCF approach to simulate the O K-edge XANES spectra of uranyl is employed, utilizing three models that progressively improve the representation of the local crystal environment. Simulations successfully reproduce the observed three-peak profile of the experimental spectrum and confirm peak assignments made by Denning. The [UOCl] model offers the best agreement with experiment, with peak positions (to within 1 eV) and relative peak separations accurately reproduced.

Cytosponge procedures produce fewer respiratory aerosols and droplets than esophagogastroduodenoscopies.

Esophagogastroduodenoscopies (EGD) are aerosol-generating procedures that may spread respiratory pathogens. We aim to investigate the production of airborne aerosols and droplets during Cytosponge procedures, which are being evaluated in large-scale research studies and National Health Service (NHS)implementation pilots to reduce endoscopy backlogs. We measured 18 Cytosponge and 37 EGD procedures using a particle counter (diameters = 0.

Tailoring the pore size of expanded porphyrinoids for lanthanide selectivity.

Despite increase in demand, capacity for the recycling of rare earth elements remains limited, partly due to the inefficiencies with processes currently utilised in the separation of lanthanides. This study highlights the potential use of expanded porphyrinoids in lanthanide separation through selective binding, dependent on the tailored pore size of the macrocycle. Each emerging trend is subjected to multi-factored analysis to decompose the underlying source.