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We study how close-in systems such as those detected by Kepler are affected by the dynamics of bodies in the outer system. We consider two scenarios: outer systems of giant planets potentially unstable to planet-planet scattering and wide binaries that may be capable of driving Kozai or other secular variations of outer planets' eccentricities. Dynamical excitation of planets in the outer system r
A pre-existing algebraic graphic statics method is extended to allow for interactive manipulations of the force diagram, from which an updated form diagram is determined. Newton's method is used to solve a set of non-linear equations, and the required Jacobian matrix is derived. Additional geometric constraints on the form diagram are introduced, and methods for improving the robustness of the met
We have studied the binding of 102 ligands to the farnesoid X receptor within the D3R Grand Challenge 2016 blind-prediction competition. First, we employed docking with five different docking software and scoring functions. The selected docked poses gave an average root-mean-squared deviation of 4.2 Å. Consensus scoring gave decent results with a Kendall’s τ of 0.26 ± 0.06 and a Spearman’s ρ of 0.
Impact of decisions in the design process is initially high and declines as the design matures. However, few computational tools are available for the early design phase, thus an opportunity exists to create such tools. New technology opens up new possibilities to create new and novel computational tools. In this work an existing application is adapted for a new novel 3D input device that is named
This paper presents a study exploring the capabilities of a new method, described by Åkesson and Alic [1], which extends the capabilities of the algebraic graphic statics method, by Van Mele and Block [11]. The new method extends the algebraic graphic statics method by making it bi-directional i.e. allowing for determination of an updated form diagram by making direct interactive manipulations of
Bubbles in DNA are involved in many important biological processes. In this work, a coarse-grained model is used for characterizing bubbles formed in DNA melting. The model resorts only to electrostatic interactions at the Debye-Hückel level, in combination with a short-ranged attractive interaction within a base pair. In spite of also omitting atomistic details, the model is able to capture exper
The partial reinforcement extinction effect (PREE) is an experimentally established phenomenon: behavioural response to a given stimulus is more persistent when previously inconsistently rewarded than when consistently rewarded. This phenomenon is, however, controversial in animal/human learning theory. Contradictory findings exist regarding when the PREE occurs. One body of research has found a w
This paper examines whether the higher wages paid by foreign-owned manufacturing plants than by domestically owned plants, typical of most countries, represents a higher price for labor. That is, does it reflect a higher price for workers of a given quality, as represented by the level of education? We then ask whether foreign-owned plants pay a higher price for labor given the characteristics of
Laboratory experiments indicate that direct growth of silicate grains via mutual collisions can only produce particles up to roughly millimeters in size. On the other hand, recent simulations of the streaming instability have shown that mm/cm-sized particles require an excessively high metallicity for dense filaments to emerge. Using a numerical algorithm for stiff mutual drag force, we perform si
Dynamic substructuring is often employed to reduce the size of numerical models for structural dynamic analysis. In this paper, we discuss how elastomeric vibration isolators can be modelled within the framework of dynamic substructuring in order to obtain accurate and efficient reduced order models. For several reasons, it is beneficial to divide a structure containing elastomeric isolators into
Lipoyl synthase (LipA) catalyses the final step of the biosynthesis of the lipoyl cofactor by insertion of two sulfur atoms at the C6 and C8 atoms of the protein-bound octanoyl substrate. In this reaction, two [4Fe4S] clusters and two molecules of S-adenosyl-l-methionine are used. One of the two FeS clusters is responsible for the generation of a powerful oxidant, the 5′-deoxyadenosyl radical (5′-
Extremely metal-poor (EMP) stars are an integral piece in the puzzle that is the early universe, and although anomolous subclasses of EMP stars such as carbon-enhanced metal-poor (CEMP) stars are well studied, they make up less than half of all EMP stars with [Fe/H] ∼ -3.0. The amount of carbon depletion occurring on the red giant branch (carbon offset) is used to determine the evolutionary status
Recent studies have focused on investigating different factors that may affect heart rate variability (HRV), pointing especially to the effects of age, gender and stress level. Other findings raise the importance of considering the respiratory frequency in the analysis of HRV signals. In this study, we evaluate the effect of several covariates on the parameters of a stochastic model for HRV. The d
Understanding the mechanical behaviour of porous rocks and how this influences the fluid flow is key in a number of resource engineering challenges, in particular hydrocarbon production and CO2 sequestration. Deformation in these porous materials is, in general, not homogeneous, as deformation localises into narrow shear or compaction bands, which might then evolve into fractures. These local defo
Aims. We report 20 new lithium-rich giants discovered within the Gaia-ESO Survey, including the first Li-rich giant with an evolutionary stage confirmed by CoRoT (Convection, Rotation and planetary Transits) data. We present a detailed overview of the properties of these 20 stars. Methods. Atmospheric parameters and abundances were derived in model atmosphere analyses using medium-resolution GIRAF
Context. Several works have found an increase of the abundances of the s-process neutron-capture elements in the youngest Galactic stellar populations. These trends provide important constraints on stellar and Galactic evolution and they need to be confirmed with large and statistically significant samples of stars spanning wide age and distance intervals. Aims. We aim to trace the abundance patte
We have estimated free energies for the binding of eight carboxylate ligands to two variants of the octa-acid deep-cavity host in the SAMPL6 blind-test challenge (with or without endo methyl groups on the four upper-rim benzoate groups, OAM and OAH, respectively). We employed free-energy perturbation (FEP) for relative binding energies at the molecular mechanics (MM) and the combined quantum mecha
Formate dehydrogenases (FDHs) are metalloenzymes that catalyse the reversible conversion of formate to carbon dioxide. Since such a process may be used to combat the greenhouse effect, FDHs have been extensively studied by experimental and theoretical methods. However, the reaction mechanism is still not clear; instead five putative mechanisms have been suggested. In this work, the reaction mechan
Conceptual design is the first phase in the design process in which all the requirements and design objectives are synthesized into conceptual alternatives. In practice today, major decisions regarding the buildings function, massing, and overall form are usually made during the first phase. Considering structural performance requirements during conceptual design enhances interdisciplinary interac
