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Terahertz absorption spectra have been recorded for the weakly bound CO2-H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit have been assigned and provide crucial observables for benchmark theoretical descriptions of this sys

We have critically examined and compared various ways to obtain standard harmonic molecular mechanics (MM) force-field parameters for metal sites in proteins, using the 12 most common Zn2+ sites as test cases. We show that the parametrization of metal sites is hard to treat with automatic methods. The choice of method is a compromise between speed and accuracy and therefore depends on the intended

The interaction between monolayers of iron phthalocyanine on a Au(111) support and carbon monoxide and nitric oxide is studied by X-ray photoelectron spectroscopy and density functional theory calculations. We find several carbon monoxide and nitric oxide adsorbate species, and in particular species that bind to the iron ions of the phthalocyanine compound. The formation of phthalocyanine carbonyl

Although satellite-based sensors have made vegetation data series available for several decades, the detection of vegetation trend and change is not yet straightforward. This is partly due to the scarcity of available change detection algorithms suitable for identifying and characterizing both abrupt and non-abrupt changes, without sacrificing accuracy or computational speed. We propose a user-fri

Cetuximab is an epidermal growth factor receptor (EGFR)-targeting drug that has shown effects in head and neck squamous cell carcinoma (HNSCC). The effects are, however, small and have mainly been proven in a subset of patients, and the cost-effectiveness has been questioned. For this reason, we need to know more about the basic mechanisms controlling the effect of EGFR signalling on tumour growth

In 2010, the Lithuanian Association of Arhtroplasty was established and on January 1, 2011, initiated a national study of all reoperations after total knee (TKR) and total hip replacement (THR) in Lithuania. The aim of the study was to investigate the revision rates after TKR and THR at two years follow-up.

Multiblock copoly(arylene ether sulfone)s with different block lengths and ionic contents are tailored for highly stable and proton conducting electrolyte membranes. Two series of fully aromatic copolymers are prepared by coupling reactions between non-sulfonated hydrophobic precursor blocks and highly sulfonated hydrophilic precursor blocks containing either fully disulfonated diarylsulfone or fu

Soil functions can be classified as supporting (nutrient cycling) and provisioning (crop production) ecosystem services (ES). These services consist of multiple and dynamic functions and are typically assessed using indicators, e.g. microbial biomass as an indicator of supporting services. Agricultural intensification negatively affects indicators of soil functions and is therefore considered to d

We developed an analytical theory for the many-body potential of mean force (POMF) between N spheres immersed in a continuum chain fluid. The theory is almost exact for a T polymer solution in the protein limit (small particles, long polymers), where N-body effects are important. Polydispersity in polymer length according to a SchulzFlory distribution emerges naturally from our analysis, as does t

Based on the philosophical notion that language embodies thought we investigated whether a habitual tendency for intrusive thought that younger and older participants report over a period of 100 sessions, spread out over about 6 months, is associated with brain regions related to language production. In favour of this hypothesis, we found that individual differences in habitual intrusive thoughts

The present paper reviews the theory of bounded Jacobi matrices whose essential spectrum is a finite gap set, and it explains how the theory can be extended to also cover a large number of infinite gap sets. Two of the central results are generalizations of Denisov–Rakhmanov’s theorem and Szegő’s theorem, including asymptotics of the associated orthogonal polynomials. When the essential spectrum i

Skipping breakfast has been consistently associated with high HbA1c and postprandial hyperglycemia (PPHG) in patients with type 2 diabetes. Our aim was to explore the effect of skipping breakfast on glycemia after a subsequent isocaloric (700 kcal) lunch and dinner.

In this paper, we present a novel neural network for classification of short-duration heart sounds: the time growing neural network (TGNN). The input to the network is the spectral power in adjacent frequency bands as computed in time windows of growing length. Children with heart systolic ejection click (SEC) and normal children are the two groups subjected to analysis. The performance of the TGN

Aims The Environmental Determinants of Diabetes in the Young planned biomarker discovery studies on longitudinal samples for persistent confirmed islet cell autoantibodies and type 1 diabetes using dietary biomarkers, metabolomics, microbiome/viral metagenomics and gene expression. Methods This article describes the details of planning The Environmental Determinants of Diabetes in the Young biomar

Allocation of donors with regard to human leukocyte antigen (HLA) is controversial in heart transplantation. This paper is a systematic review and meta-analysis of the available evidence. PubMed, Embase, and the Cochrane Library were searched systematically for studies that addressed the effects of HLA matching on outcome after heart transplantation. Fifty-seven studies met the eligibility criteri

Aims/hypothesis: Children participating in longitudinal type 1 diabetes prediction studies were reported to have less severe disease at diabetes diagnosis. Our aim was to investigate children who from birth participated in the Diabetes Prediction in Skane (DiPiS) study for metabolic status at diagnosis and then continued to be followed for 2 yr of regular clinical care. Methods: Children, followed

Objectives: To translate the visual analogue scales (VAS) in the Scleroderma Health Assessment Questionnaire (SSc HAQ) and the Cochin Hand Function Scale (CHFS) and to examine the reliability and validity of the Swedish versions of the instruments. Method: The reproducibility, internal consistency, acceptability, and validity of the instruments were evaluated. Eighty-three consecutive patients par

The erectoides-m anthocyanin-less 1 (ert-m ant1) double mutants are among the very few examples of induced double mutants in barley. From phenotypic observations of mutant plants it is known that the Ert-m gene product regulates plant architecture whereas the Ant1 gene product is involved in anthocyanin biosynthesis. We used a near-isogenic line of the cultivar Bowman, BW316 (ert-m.34), to create