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The mechanism of the reaction of ketene with methyl radical has been studied by ab initio CCSD(T)-F12/cc-pVQZ-f12//B2PLYPD3/6-311G** calculations of the potential energy surface. Temperature- and pressure-dependent reaction rate constants have been computed using the Rice-Ramsperger-Kassel-Marcus (RRKM)-Master Equation and transition state theory methods. Three main channels have been shown to dom
IS strategic alignment remains a research phenomenon of key interest, specifically regarding the dimensions of social IS alignment (i.e., shared IS understanding among key organizational members) and intellectual IS alignment (i.e., IS/business strategy congruence). The examination of IS alignment has been predominantly limited to the examination of top ranks within the organization; however, we c
Phenomenological constitutive models of inelastic responses based on the methods of classical plasticity provide several advantages, especially in terms of computational efficiency. For this reason, they are attractive for the analysis of complex boundary value problems comprising large computational domains. However, for the analysis of problems dominated by single crystal behavior (e.g., inclusi
Ice nucleation active bacteria have attracted particular attention due to their unique ability to produce specific ice nucleation proteins (INpros), which are the most efficient ice nuclei known as they induce nucleation at temperatures close to 0°C. Our model bacterium Pseudomonas syringae strain R10.79 produced INpros containing 67 tandem repeats, forming the proposed ice-binding surface. To und
Fasting to postprandial transition requires a tight adjustment of insulin secretion to its demand, so tissue (e.g., skeletal muscle) glucose supply is assured while hypo-/hyperglycemia are prevented. High muscle glucose disposal after meals is pivotal for adapting to increased glycemia and might drive insulin secretion through muscle-released factors (e.g., myokines). We hypothesized that insulin
Purpose – This paper aims to explore the potential of ultrasonic additive manufacturing (UAM) to incorporate the direct printing of electrical materials and arrangements (conductors and insulators) at the interlaminar interface of parts during manufacture to allow the integration of functional and optimal electrical circuitries inside dense metallic objects without detrimental effect on the overal
A major issue in Irish economic history is the lack of national accounts before the interwar period. This paper constructs new annual estimates of real GDP between 1842 and 1913 based on a novel two-stage econometric approach. Our results show that while living standards approximately tripled in this period, development was uneven with contractions in economic activity not only during the Great FaA major issue in Irish economic history is the lack of national accounts before the interwar period. This paper constructs new annual estimates of real GDP between 1842 and 1913 based on a novel two-stage econometric approach. Our results show that while living standards approximately tripled in this period, development was uneven with contractions in economic activity not only during the Great Fa
Human carbonic anhydrases (hCAs) play various roles in cells, and have been drug targets for decades. Sequence similarities of hCA isoforms necessitate designing specific inhibitors, which requires detailed structural information for hCA-inhibitor complexes. We present room temperature neutron structures of hCA II in complex with three clinical drugs that provide in-depth analysis of drug binding,
The structural investigation of cellular membranes requires access to model systems where the molecular complexity is representative of the cellular environment and that allow for the exploitation of structural techniques. Neutron scattering, and in particular neutron diffraction can provide unique and detailed information on the structure of lipid membranes. However, deuterated samples are desira
The economic literature on migration has a strong focus on labor migration. It typically distinguishes between migration within countries and between countries and it focuses on the determinants of migration rather than their consequences. Motives and consequences of migration are difficult to separate. We explore the policy implications and empirical support of six common theories. We distinguish
Aims and objectives: The aim of this study was to explore the associations between patients' gender, education, health status in relation to assessments of patient-centred quality and individuality in care and trust in nurses for those <65 (working age) and ≥65 years (older people). Background: Patients' assessments of the quality of care they receive are essential for the development of the provi
We explore time-resolved Coulomb explosion induced by intense, extreme ultraviolet (XUV) femtosecond pulses from a free-electron laser as a method to image photo-induced molecular dynamics in two molecules, iodomethane and 2,6-difluoroiodobenzene. At an excitation wavelength of 267 nm, the dominant reaction pathway in both molecules is neutral dissociation via cleavage of the carbon-iodine bond. T
Results of a search for new phenomena in final states with an energetic jet and large missing transverse momentum are reported. The search uses proton-proton collision data corresponding to an integrated luminosity of 36.1 fb−1 at a centre-of-mass energy of 13 TeV collected in 2015 and 2016 with the ATLAS detector at the Large Hadron Collider. Events are required to have at least one jet with a tr
A search for heavy neutral Higgs bosons and Z′ bosons is performed using a data sample corresponding to an integrated luminosity of 36.1 fb−1 from proton-proton collisions at s=13 TeV recorded by the ATLAS detector at the LHC during 2015 and 2016. The heavy resonance is assumed to decay to τ+τ− with at least one tau lepton decaying to final states with hadrons and a neutrino. The search is perform
In this paper we present new techniques for constructing compact and robust minimal solvers for absolute pose estimation. We focus on the P4Pfr problem, but the methods we propose are applicable to a more general setting. Previous approaches to P4Pfr suffer from artificial degeneracies which come from their formulation and not the geometry of the original problem. In this paper we show how to avoi
This paper considers the problem of recovering either a low rank matrix or a sparse vector from observations of linear combinations of the vector or matrix elements. Recent methods replace the non-convex regularization with ℓ1 or nuclear norm relaxations. It is well known that this approach recovers near optimal solutions if a so called restricted isometry property (RIP) holds. On the other hand i
The results of a search for squarks and gluinos in final states with an isolated electron or muon, multiple jets and large missing transverse momentum using proton-proton collision data at a center-of-mass energy of √ = 13 TeV are presented. The data set used was recorded during 2015 and 2016 by the ATLAS experiment at the Large Hadron Collider and corresponds to an integrated luminosity of 36.1 f
A scheme for exploiting cooperation in satellite receivers is proposed. The cooperation takes place through a capacity-constrained link, and we assume that a relay node quantizes its received signal and sends it to the destination node. We demonstrate its effectiveness with three different schemes on satellite channels with high-order APSK modulations. The first two schemes employ equidistant quan
In this paper, we present a time-recursive implementation of a recent hyperparameter-free group-sparse estimation technique. This is achieved by reformulating the original method, termed group-SPICE, as a square-root group-LASSO with a suitable regularization level, for which a time-recursive implementation is derived. Using a proximal gradient step for lowering the computational cost, the propose
