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The structure and function of proteins are strongly affected by the surrounding solvent water, for example through hydrogen bonds and the hydrophobic effect. These interactions depend not only on the position, but also on the orientation, of the water molecules around the protein. Therefore, it is often vital to know the detailed orientations of the surrounding ordered water molecules. Such inform
Context. NGC 2264 is a young cluster whose accretion properties can be investigated in detail by taking advantage of the FLAMES data in the context of the Gaia-ESO Survey. In fact, the analysis of the Hα emission line profile can provide us with information about the accretion and ejection activity of young stars. However, a strong nebular emission that contributes to the Hα emission can alter the
Finding life on a planet other than the Earth would easily be one of the greatest discoveries of all time, particularly so if it is found outside our Solar System. To do so, we must understand the conditions required for life to emerge and develop. Whilst an enormous amount of research has gone into understanding the requirements for life on Earth to have spontaneously arisen and then evolved, muc
Prosodic prominence is a multimodal phenomenon where pitch accents are frequently aligned with visible movements by the hands, head, or eyebrows. However, little is known about how such movements function as visible prominence cues in multimodal speech perception with most previous studies being restricted to experimental settings. In this study, we are piloting the acquisition of multimodal promi
Transit spectroscopy usually relies on the integration of one or several transits to achieve the signal-to-noise ratio (S/N) necessary to resolve spectral features. Consequently, high-S/N observations of exoplanet atmospheres, where we can forgo integration, are essential for disentangling the complex chemistry and dynamics beyond global trends. In this study, we combined two partial 4-UT transits
One of the outstanding goals of the planetary science community is to measure the present-day atmospheric composition of planets and link this back to formation. As giant planets are formed by accreting gas, ices, and rocks, constraining the relative amounts of these components is critical to understand their formation and evolution. For most known planets, including the solar system giants, this
The discovery of exoplanets has revealed an intriguing class of planets unlike anything in the Solar System: ultra-hot Jupiters. These gas giants share similarities with Jupiter in size and in their hydrogen- and helium-dominated atmospheres, yet their proximity to their host stars results in vastly different atmospheric conditions. Intense stellar radiation heats them to temperatures exceeding 2
Galaxies are complex objects, yet the number of independent parameters to describe them remains unknown. We present here a non-parametric method to estimate the intrinsic dimensionality of large data sets. We apply it to wide-band photometric data drawn from the COSMOS2020 catalogue and a comparable mock catalogue from the HORIZON-AGN simulation. Our galaxy catalogues are limited in signal-to-nois
We analyzed the evolution of the radial profiles and the azimuthal variations of the stellar metallicities from the VINTERGATAN simulation of a Milky Way-like galaxy. We find that negative gradients exist as soon as the disk settles at high redshift, and are maintained throughout the long-term evolution of the galaxy, including during major merger events. The inside-out growth of the disk and an o
Particulate methane monooxygenase (pMMO) is the most efficient of the two groups of enzymes that can hydroxylate methane. The enzyme is membrane bound and therefore hard to study experimentally. For that reason, there is still no consensus regarding the location and nature of the active site. We have used combined quantum mechanical and molecular mechanical (QM/MM) methods to study the reactivity
Some microorganisms, like the aerobic soil bacteria, Oligotropha carboxidovorans, have the capability to oxidize the highly toxic atmospheric gas carbon monoxide (CO) into CO2 through CO dehydrogenase enzymes, whose active site contains a bimetallic MoCu center. Over the last decades, a number of experimental and theoretical investigations were devoted to understanding the mechanism of CO oxidatio
The pathway to forming the iron-rich planet Mercury remains mysterious. Its core makes up 70% of the planetary mass, which implies a significant enrichment of iron relative to silicates, while its mantle is strongly depleted in oxidised iron. The high core mass fraction is traditionally ascribed to evaporative loss of silicates, for example following a giant impact, but the high abundance of moder
Observations and models of giant planets indicate that such objects are enriched in heavy elements compared to solar abundances. The prevailing view is that giant planets accreted multiple Earth masses of heavy elements after the end of core formation. Such late solid enrichment is commonly explained by the accretion of planetesimals. Planetesimals are expected to form at the edges of planetary ga
Embedded-cluster models of crystalline solids are important to allow accurate wave function methods to be applicable to solids. The ab-initio model potential method, in which the crystal is divided into three different fragments, one quantum fragment, one ab-initio model potential fragment and one point-charge fragment, has historically been shown to be a viable tool for describing the electronic
Embedded-cluster models of crystalline solids are important to allow accurate wave function methods to be applicable to solids. The ab initio model potential method for embedding ionic solids has historically been shown to be a viable tool. While useful, the method has been limited by the need to generate such potentials for each crystal structure and the lack of a freely available program for gen
In the present paper, the effectiveness of a vibration isolation mat for a railway slab track system is studied using a finite element model of the railway track. The finite elements are formulated in a moving frame of reference following the moving load at a particular speed. The rails are modeled using Bernoulli beams, whereas the track slab and an underlying supporting plate are modeled using K
We investigate the possibility of finding Earth-like planets in the habitable zone of 34 nearby FGK-dwarfs, each known to host one giant planet exterior to their habitable zone detected by RV. First we simulate the dynamics of the planetary systems in their present day configurations and determine the fraction of stable planetary orbits within their habitable zones. Then, we postulate that the ecc
The lytic polysaccharide monooxygenase (LPMO) enzymes boost polysaccharide depolymerization through oxidative chemistry, which has fueled the hope for more energy-efficient production of biofuel. We have recently proposed a mechanism for the oxidation of the polysaccharide substrate (E. D. Hedegård and U. Ryde, Chem. Sci., 2018, 9, 3866-3880). In this mechanism, intermediates with superoxide, oxyl
We investigate the hypothesis that ingestion of a terrestrial or super-Earth planet could cause the anomalously high metal abundances seen in a turn-off star in the open cluster M67, when compared to other turn-off stars in the same cluster. We show that the mass of the convective envelope of the star is likely only 3.45 × 10-3 M⊙, and hence 5.2 M⊙ of rock is required to obtain the observed 0.128
To predict ground-borne vibration levels caused by railway traffic, models for estimating the load from the vibration source, as well as the vibration transmission through the ground, are needed. In the present paper, a finite element formulation in a frame of reference following the moving load, is used for modeling a railway slab track. The response of the underlying soil is represented through
