The change in the electronic structure of coronene upon doping with nitrogen or boron has been theoretically studied by means of its magnetic properties and magnetic field induced current density maps. The addition of two atoms of nitrogen or boron to the central ring of coronene causes a drastic variation in the delocalization of π-electrons, which does not depend on its nature but instead on its position. Then, doping in the para position makes coronene more aromatic while doping in the meta position makes it to become antiaromatic. The magnetic behavior of the pristine molecule is characterized by two concentric currents flowing in opposite senses that are converted into hemi-perimetric currents in the ortho and meta isomers, so dividing the molecule into aromatic and antiaromatic regions. The paratropic and diatropic ring currents of the coronene moiety may, therefore, be modulated through the position of the heteroatom and, consequently, also the localized/delocalized behavior.

A computational study is presented of a complex of thallium with a neutral β-triketimine ligand which was found to form dimers with close Tl-Tl interactions. Single point energies, using the crystallographic structures, suggest that the system is bound only when BArF counter ions are included in the calculations. Energy decomposition analysis of the system was carried out in order to investigate the nature of the bonding. Across the methods, calculations show the electrostatic interaction to be repulsive for the dimer with no counter ions, but attractive when BArF counter ions are included. This suggests the metallophilic interaction is counter ion-mediated, requiring the anions to provide favourable electrostatics, even in the case of spatially diffuse and distant counter ions such as the 3,5-bistrifluoromethylphenyl borate ions used here.

High-gravity brewing is a method that maximises brewhouse capacity and reduces energy consumption per unit of beer produced. The fermentation of wort with high sugar content is known to impact the fermentation characteristics and production of aroma-active volatiles, and as such, cultures that are adapted to this method are industrially valuable. Mixed-culture fermentation offers brewers the opportunity to combine desirable features from multiple strains of yeast and to take advantage of the interactions between those strains. In this study, a highly attenuative strain of Schizosaccharomyces pombe is paired with a fast-fermenting brewing strain of Saccharomyces cerevisiae in the fermentation of wort at both standard and high gravity at centilitre scale. Mixed cultures were found to produce several esters and higher alcohols in higher concentration than in either of the parent monocultures at both standard and high gravity. The mixed culture also represented a compromise between fermentation length (modelled by the logistic equation), which was extended by the inclusion of S. pombe, and ethanol yield, which was increased. The application of mixed-culture strategies to high-gravity brewing practices may allow brewers greater flexibility in achieving desired flavour profiles whilst increasing brewhouse efficiency.