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The large and sparsely hydrated thiocyanate anion, SCN–, plays a prominent role in the study of specific ion effects in biological, colloid, and atmospheric chemistry due to its extreme position in the Hofmeister series. Using atomistic modeling of aqueous SCN– solutions, we provide novel insight at the molecular scale into the experimentally observed differences in ion pairing, clustering, reorie
The osmotic pressure of polyelectrolyte solutions as a function of concentration has been calculated by Monte Carlo simulations of a spherical cell model and by molecular dynamics simulations with periodic boundary conditions. The results for the coarse-grained polyelectrolyte model are in good agreement with experimental results for sodium polyacrylate and the cell model is validated by the bulk
Tailoring the activity of an organometallic catalyst usually requires a targeted ligand design. Tuning the ligand bulkiness and tuning the electronic properties are popular approaches, which are somehow interdependent because substituents of different sizes within ligands can determine inter alia the occurrence of different degrees of inductive effects. Ligand basicity, in particular, turned
The atmospheres of ultra-hot Jupiters are highly interesting and unique chemical laboratories. Due to the very high atmospheric temperatures, their chemical composition is dominated by atoms and ions instead of molecules, and the formation of aerosols on their day-sides is unlikely. Thus, for these planets detailed chemical characterisations via the direct detection of elements through high-resolu
The spatial distribution of elemental abundances and their time evolution are among the major constraints to disentangling the scenarios of formation and evolution of the Galaxy. Aims. In this paper we used the sample of open clusters available in the final release of the Gaia-ESO survey to trace the Galactic radial abundance and abundance-to-iron ratio gradients, and their time evolution. Methods
Aims. Stars with strong enhancements of r-process elements are rare and tend to be metal-poor, generally with [Fe/H] < -2 dex, and located in the halo. In this work, we aim to investigate a candidate r-process enriched bulge star with a relatively high metallicity of [Fe/H] ~ -0.65 dex and to compare it with a previously published r-rich candidate star in the bulge. Methods. We reconsidered the ab
Capture into mean motion resonance (MMR) is an important dynamical mechanism because it shapes the final architecture of a planetary system. We simulate systems of two or three planets undergoing migration with varied initial parameters such as planetary mass and disk surface density and analyse the resulting resonant chains. In contrast to previous studies, our results show that the disk properti
This computational study investigates the energy minimum, that is, ground state, of suspensions of monodisperse (single-component) charged linear rods at various densities and screening lengths. We find that closed-packed unidirectional configurations have the lowest energies for all studied cases. We further specify the lattice parameters for these crystalline structures. In addition, we identify
We probe the complex rheological behaviour of liquid foams flowing through a conical constriction. With fast X-ray tomographic microscopy we measure in situ the displacement and deformation of up to fifty thousand bubbles at any single time instance while varying systematically the foam liquid fraction, the bubble size and the flow direction - convergent vs. divergent. The large statistics and hig
Context. SDSS-IV APOGEE-2, GALAH, and Gaia-ESO are high-resolution, ground-based, multi-object spectroscopic surveys providing fundamental stellar atmospheric parameters and multiple elemental abundance ratios for hundreds of thousands of stars of the Milky Way. Data from these and other surveys contribute to investigations of the history and evolution of the Galaxy. Aims. We undertake a compariso
The lytic polysaccharide monooxygenases (LPMOs) comprise a super-family of copper enzymes that boost the depolymerisation of polysaccharides by oxidatively disrupting the glycosidic bonds connecting the sugar units. Industrial use of LPMOs for cellulose depolymerisation has already begun but is still far from reaching its full potential. One issue is that the LPMOs self-oxidise and thereby deactiv
The radial transport, or drift, of dust has taken a critical role in giant planet formation theory. However, it has been challenging to identify dust drift pileups in the hard-to-observe inner disk. We find that the IM Lup disk shows evidence that it has been shaped by an episode of dust drift. Using radiative transfer and dust dynamical modeling we study the radial and vertical dust distribution.
Aims. Dust plays a crucial role in the evolution of protoplanetary disks. We study the dynamics and growth of initially submicron dust particles in self-gravitating young protoplanetary disks with various strengths of turbulent viscosity. We aim to understand the physical conditions that determine the formation and spatial distribution of pebbles when both disk self-gravity and turbulent viscosity
Gradient-based optimization is a potent tool in many design processes today. It is particularly useful in industries where weight considerations are crucial, such as aerospace, but can also be exploited in for example civil engineering applications to reduce the material use and thereby the environmental impact. With the advent of advanced manufacture methods, it even possesses the potential to de
Judith Korth joins the podcast this week and tell us about how she found her way into astronomy research, how she ended up here at Lund University and how she now studies distant worlds far beyond our own Solar System.In this third season we are also including some Cosmic Curiosities. These are some ideas, events or trivia from astronomic history that Ross, Victor and Lucian feel are worth bringin
Context. Until now, heavy interstellar extinction has meant that only a few studies of chemical abundances have been possible in the inner Galactic bulge. However, it is crucial to learn more about this structure in order to better understand the formation and evolution of the centre of the Galaxy and galaxies in general. Aims. In this paper, we aim to derive high-precision α-element abundances us
Dihydropyrimidinase (DHPase) is a key enzyme in the pyrimidine pathway, the catabolic route for synthesis of β-amino acids. It catalyses the reversible conversion of 5,6-dihydrouracil (DHU) or 5,6-dihydrothymine (DHT) to the corresponding N-carbamoyl-β-amino acids. This enzyme has the potential to be used as a tool in the production of β-amino acids. Here, the reaction mechanism and origin of ster
Learning by teaching someone else has proven to be beneficial in both human-human and human-agent interaction. Instructing someone else, that is, taking the role as a tutor, has a series of positive effects on students' learning and performance. For example, the fact that someone else is in need of help seems to affect students to put more effort into the task at hand, trying harder, being more th
