Density functional theory calculations have been used to investigate the reaction mechanisms of phosphodiester hydrolysis and transesterification catalyzed by a dinuclear zinc complex of the 2-(N-isopropyl-N-((2-pyridyl)methyl)aminomethyl)-6-(N-(carboxylmethyl)-N-((2-pyridyl)methyl)amino-methyl)-4-methylphenol (IPCPMP) ligand, mimicking the active site of zinc phosphotriesterase. The substrates bi

In the first of two essays in this Journal, I seek to unify the historical geography of early modern 'European expansion' (Iberia and Latin America) with the environmental history of the 'transition to capitalism' (northwestern Europe). The expansion of Europe's overseas empires and the transitions to capitalism within Europe were differentiated moments within the geographical expansion of commodi

We hypothesised that the removal of the subchondral bone plate (SCBP) for cemented acetabular component fixation in total hip arthroplasty (THA) offers advantages over retention by improving the cement-bone interface, without jeopardising implant stability. We have previously published two-year follow-up data of a randomised controlled trial (RCT), in which 50 patients with primary osteoarthritis

To assess muscle strength in the knee extensors, knee flexors and ankle dorsiflexors in persons with late effects of polio, and determine how much muscle strength, gender, age and BMI are related to gait performance.

Qualitative description of spray structure and geometry in the near-field region of atomizing sprays is particularly challenging due to the lack of visibility through such optically dense media. Similarly, quantitative determination of the optical depth can be particularly underestimated as a result of detecting photons which have experienced a number of scattering events. In this paper we demonst

About 1% of giant stars have been shown to have large surface Li abundances, which is unexpected according to standard stellar evolution models. Several scenarios for lithium production have been proposed, but it is still unclear why these Li-rich giants exist. A missing piece in this puzzle is the knowledge of the exact stage of evolution of these stars. Using low-and-high-resolution spectroscopi

A mesoscale model of microstructure evolution is formulated in the present work by combining a crystal plasticity model with a graph-based vertex algorithm. This provides a versatile formulation capable of capturing finite-strain deformations, development of texture and microstructure evolution through recrystallization. The crystal plasticity model is employed in a finite element setting and allo

The aim of the study was to assess the ability to recognize ventricular fibrillation (VF) concomitant with pacing artifacts presented either alone or with clinical scenario indicating the cardiac arrest in a patient with implanted pacemaker by members of the medical emergency team.

The results of a search for supersymmetry in events with large missing transverse momentum and heavy-flavor jets using an integrated luminosity corresponding to 2.05 fb(-1) of pp collisions at root s = 7 TeV recorded with the ATLAS detector at the Large Hadron Collider are reported. No significant excess is observed with respect to the prediction for standard model processes. Results are interpret

Although the nuclear era and the Cold War superpower competition have long since passed, governments are still investing in Big Science, although these large facilities are nowadays mostly geared towards areas of use closer to utility. Investments in Big Science are also motivated not only by promises of scientific breakthroughs but also by expectations (and demands) of measurable impact, and with

We analyze a system consisting of two spherical particles immersed in a polydispersed polymer solution under theta conditions. An exact theory is developed to describe the potential of mean force between the spheres for the case where the polymer molecular weight dispersity is described by the Schulz-Flory distribution. Exact results can be derived for the protein regime, where the sphere radius (

Searches for heavy long-lived charged particles are performed using a data sample of 19.1 fb(-1) from proton-proton collisions at a centre-of-mass energy of root s = 8 TeV collected by the ATLAS detector at the Large Hadron Collider. No excess is observed above the estimated background and limits are placed on the mass of long-lived particles in various supersymmetric models. Long-lived tau slepto

Dust grains migrating under Poynting-Robertson drag may be trapped in mean-motion resonances with planets. Such resonantly trapped grains are observed in the Solar system. In extrasolar systems, the exozodiacal light produced by dust grains is expected to be a major obstacle to future missions attempting to directly image terrestrial planets. The patterns made by resonantly trapped dust, however,

Preclinical data indicate that oestrogen appears to play a beneficial role in the pathophysiology of and recovery from critical illness. In few previous epidemiologic studies, however, have researchers analysed premenopausal women as a separate group when addressing potential gender differences in critical care outcome. Our aim was to see if women of premenopausal age have a better outcome followi

Distribution of habitats and vegetation types]. In this third and last article in a series based on various analyses of data from the survey of the vascular flora of the province of Skåne, southern-most Sweden, completed 1987–2007, the geographic distribution of various habitats and vegetation types is mapped and discussed based on the number of characteristic species reported from each grid-squar