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A multireference second-order perturbation theory using a restricted active space self-consistent field wave function as reference (RASPT2/RASSCF) is described. This model is particularly effective for cases where a chemical system requires a balanced orbital active space that is too large to be addressed by the complete active space self-consistent field model with or without second-order perturb
We have shown previously that protein kinase C (PKC) epsilon can induce neurite outgrowth independently of its catalytic activity via a region encompassing its C1 domains. In this study we aimed at identifying specific amino acids in this region crucial for induction of neurite outgrowth. Deletion studies demonstrated that only 4 amino acids N-terminal and 20 residues C-terminal of the C1 domains
Objectives: To develop evidence-based recommendations for the diagnosis of hand osteoarthritis (OA). Methods: The multidisciplinary guideline development group, representing 15 European countries, generated 10 key propositions regarding diagnosis using a Delphi consensus approach. For each recommendation, research evidence was searched for systematically. Whenever possible, the sensitivity, specif
Rotational coherent anti-Stokes Raman spectroscopy (CARS) in fuel-rich hydrocarbon flames, with a large content of hydrogen in the product gases (similar to 20%), has in previous work shown that evaluated temperatures are raised several tens of Kelvin by taking newly derived N-2-H-2 Raman line widths into account. To validate these results, in this work calibrated temperature measurements at aroun
High-precision isotope-dilution U-Pb (zircon) dating was conducted on three volcanic ash fall (bentonite) samples from the Swedish island of Gotland, and on a fourth bentonite from the West Midlands, England. Zircons from the Ireviken, Grotlingbo, Djupvik (Gotland), and Wren's Nest Hill-15 (West Midlands) bentonites yielded weighted mean Pb-206/U-238 ages of 431.83 +/- 0.23/0.67 Ma, 428.45 +/- 035
Background: Identifying children with childhood-onset neurodevelopmental problems (NDPs, defined here as autism spectrum disorders [ASDs], attention-deficit/hyperactivity disorder [AD/HD], tic disorders [TDs], learning disorders [LDs] and development coordination disorder), using easily administered screening instruments, is a prerequisite for epidemiological research. Such instruments are also cl
The negative impacts of surface ozone (O(3)) on vegetation are determined by external exposure, leaf gas exchange and plant antioxidant defence capacity, all dependent on climate and CO(2) concentrations. In this study the influence of climate change on simulated stomatal O(3) uptake of a generic crop and a generic deciduous tree at ten European sites was investigated, using the LRTAP Mapping Manu
The two-photon ionization of helium atoms by ultrashort extreme-ultraviolet free-electron laser pulses, produced by the SPring-8 Compact SASE Source test accelerator, was investigated at photon energies of 20.3, 21.3, 23.0 and 24.3 eV. The angular distribution of photoelectrons generated by two-photon ionization is obtained using a velocity map imaging spectrometer. The phase-shift differences and
Protein glycosylation has significant effects on the structure and function of proteins. The efficient separation and enrichment of glycoproteins from complex biological samples is one key aspect and represents a major bottleneck of glycoproteome research. In this paper, we have explored pH multimodal hydrophobic interaction chromatography to separate glycosylated from non-glycosylated forms of pr
Background and purpose - Outcome measurement has been shown to improve performance in several fields of healthcare. This understanding has driven a growing interest in value-based healthcare, where value is defined as outcomes achieved per money spent. While low back pain (LBP) constitutes an enormous burden of disease, no universal set of metrics has yet been accepted to measure and compare outco
A goal of the International Prophylaxis Study Group (IPSG) is to provide an accurate instrument to measure MRI-based disease severity of haemophilic arthropathy at various time points, so that longitudinal changes in disease severity can be identified to support decisions on treatment management. We review and discuss in this paper the evaluative purpose of the IPSG MRI scale in relation to its de
Apart from microhardness and elastic modulus, the stress-strain relation is another important characteristic that more and more scholars have been trying to extract from nanoindentation. With the development of artificial intelligence and computer technology, a machine learning based method is proposed in this paper to extract stress-strain curve of grey cast iron using sharp nanoindentation. Firs
Background: Head position during care may affect cerebral haemodynamics and contribute to the development of germinal matrix-intraventricular haemorrhage (GM-IVH) in very preterm infants. Turning the head toward one side may occlude jugular venous drainage while increasing intracranial pressure and cerebral blood volume. It is suggested that cerebral venous pressure is reduced and hydrostatic brai
In this work, three polymeric resins were examined as alternatives for the separation of hemicellulose and lignin. The aim was to remove the lignin from spent-sulfite-liquor (SSL) prior to ultrafiltration, producing a hemicellulose-rich retentate with high purity, and increase the capacity of the membrane filtration. The lignin in the SSL was sulfonated; thus, two of the resins were anion exchange
The problem of equivalence in terms of multistability properties between gene regulatory network models of different dimensionality has been recently addressed by Schittler et al.(2013). The authors in that work proposed construction rules for a high-dimensional dynamical system, when given a low-dimensional dynamical system and the high-dimensional network structure. However, the proof therein wa
Hematopoietic stem cell transplantation (HSCT) is currently the standard of care for many malignant and nonmalignant blood diseases. As several treatment-emerging acute toxicities are expected, optimal supportive measurements critically affect HSCT outcomes. The paucity of good clinical studies in supportive practices gives rise to the establishment of heterogeneous guidelines across the different
Context. Previous studies of open clusters have shown that lithium depletion is not only strongly age dependent but also shows a complex pattern with other parameters that is not yet understood. For pre- and main-sequence late-type stars, these parameters include metallicity, mixing mechanisms, convection structure, rotation, and magnetic activity. Aims. We perform a thorough membership analysis f
This contribution aims to introduce the reader to a judgement from the Court of Justice which seems to broaden the scope of application of EU free movement rules to private regulatory bodies in two ways. On the one hand, this judgment expands our understanding of what type of private regulation can fall within this scope. On the other hand, it shows that EU law requires a private prior authorisati
This paper aims to identify and review new and unproven emergency department (ED) methods for improved evaluation in cases of suspected acute coronary syndrome (ACS). Systematic news coverage through PubMed from 2000 to 2006 identified papers on new methods for ED assessment of patients with suspected ACS. Articles found described decision support models, new ECG methods, new biomarkers and point-
