We perform grand canonical Monte Carlo (GCMC) simulations to study the adsorption of carbon dioxide in a calcite slit pore. The injection of carbon dioxide is simulated by increasing the chemical potential of carbon dioxide, which allows for an investigation of adsorption under varying carbon dioxide loadings. The study is carried out for three dif...
Molecular materials are challenging to design as their packing arrangement and hence properties are subject to subtle variations in the interplay of soft intermolecular interactions that are difficult to predict. The rational design of new molecular materials with tailored properties is currently hampered by the lack of knowledge of how a candidate...
To ensure the safe and stable operation of lithium-ion batteries in battery energy storage systems (BESS), the power/current is de-rated to prevent the battery from going outside the safe operating range. Most derating strategies use static limits for battery current, voltage, temperature and state-of-charge, and do not account for the complexity o...
C-C chemokine receptor 5 (CCR5) is a major co-receptor molecule used by HIV-1 to enter cells. This opens the hypothesis that stimulating an antibody response would block HIV with minimal toxicity. We have undertaken X-ray crystallography studies of the anti-CCR5 antibody RoAb13 together with two peptides, one a 31 peptide containing PIYDIN and the ...
A method for forming electromagnetic waves with a tunable nonzero orbital angular momentum (OAM) is proposed. The approach is based on transforming an incident plane wave into a helical one using an electrically tunable ferroelectric lens. It uses high-resistive thin/thick film electrodes with a special discrete topology. The correlation between fi...
Multi-hole injectors for direct-injection spark-ignition engines offer atomisation benefits and flexibility in fuel targeting by selection of the number and orientation of the nozzle’s holes. However, the spray formation process from multi-hole injectors has been mostly studied for hot fuel conditions and no quantitative data really exist with fuel...
Water-in-salt electrolytes (WiSEs) are a class of super-concentrated electrolytes that have shown much promise in replacing organic electrolytes in lithium-ion batteries. At the extremely high salt concentrations of WiSEs, ionic association is more complicated than the simple ion pair description. In fact, large branched clusters can be present in ...
Mucin-type O-glycosylation is among the most complex post-translational modifications. Despite mediating many physiological processes, O-glycosylation remains understudied compared to other modifications, simply because the right analytical tools are lacking. In particular, analysis of intact O-glycopeptides by mass spectrometry is challenging for ...
The solubility of water in liquid n-perfluorohexane and in an equimolar mixture of n-hexane + n-perfluorohexane is experimentally determined as a function of temperature. The solubility of water in the equimolar mixture is significantly higher than the average of the solubilities in the pure solvents suggesting, for the first time, that mixing hydr...
We use fluctuating magnetic helicity to investigate the polarization properties of Alfvénic fluctuations at ion-kinetic scales in the solar wind as a function of βp, the ratio of proton thermal pressure to magnetic pressure, and θvB, the angle between the proton flow and local mean magnetic field, B0. Using almost 15 yr of Wind observations, we sep...
