Expressions for first-order induced electronic transition matrix elements are derived within the coupled-cluster response theory framework. When combined with electric-dipole and spin-orbit operators, these matrix elements allow the calculation of radiative transition probabilities between singlet ground and triplet excited states. An implementation employing an atomic mean-field representation of

A density functional theory study of the influence of the various functional groups of the molybdopterin ligand on electronic and geometric properties of active-site models for the molybdenum and tungsten cofactors has been undertaken. We used analogous molybdenum and tungsten complexes with increasingly accurate representation of the molybdopterin ligands and compared bond lengths, angles, charge

In ethanol production from lignocellulose by enzymatic hydrolysis and fermentation, it is desirable to minimize addition of fresh-water and waste-water streams, which leads to an accumulation of substances in the process. This study shows that the amount of fresh water used and the amount of waste water thereby produced in the production of fuel ethanol from softwood, can be reduced to a large ext

The aim of this qualitative study was to explore older persons' experience of participation in and influence on decisions about public home help/care when undergoing needs assessment and receiving public home help. A purposive sample of 28 home help recipients over the age of 75 were selected. Data were collected by means of in-depth interviews. A content analysis revealed one overarching category

Factors affecting amino acid uptake by the ectomycorrhizal fungus Paxillus involutus were investigated using tracer kinetic experiments. Amino acid uptake by P. involutus was dependent on the pH of the incubation medium. Uptake of L-glutamate and L-glutamine had a distinct pH optimum around pH 4.0 and declined sharply between pH 4.5 and 6.4. Uptake of alanine and aspartate was also highest at low

Adsorption of bioparticles to affinity surfaces involves polyvalent interactions, complicating greatly the recovery of the adsorbed material. A unique system for the efficient binding and release of different cells and particles is described. Affinity-bound bioparticles and synthetic particles are detached from the macroporous hydrogel matrix, a so-called cryogel, when the cryogel undergoes elasti

Rho-kinase signaling regulates important features of inflammatory reactions. Herein, we investigated the effect and mechanisms of action of the Rho-kinase inhibitor fasudil in endotoxemic liver injury. C57/BL/6 mice were challenged with lipopolysaccharide (LPS) and D-galactosamine, with or without pretreatment with the Rho-kinase inhibitor fasudil. Six hours after endotoxin challenge, leukocyte-en

Peptide binding to HLA molecules is a critical step in induction and regulation of T-cell mediated immune responses. Because of combinatorial complexity of immune responses, systematic studies require combination of computational methods and experimentation. Most of available computational predictions are based on discriminating binders from non-binders based on use of suitable prediction threshol

Administration of oligodeoxynucleotides (ODNs) containing CpG motifs generates a rapid and potent response of CC-chemokines, known as ligands of the HIV-1 co-receptor CCR5, in the murine female genital tract. The present study explored the potential HIV inhibitory activities of different human CpG prototypes either alone or conjugated to the non-toxic subunit of cholera toxin (CTB). Results showed

t(3;21)(q26;q22) is a recurrent chromosomal abnormality in Philadelphia-positive chronic myeloid leukaemia in blast crisis and in treatment-related myelodysplastic syndrome and acute myeloid leukaemia. The molecular consequences of the t(3;21) are presently being unravelled; various transcripts between the AML1 gene in 21q22 and several unrelated genes, i.e. EAP, EVI1 and MDS1, in 3q26 are generat

The plasminogen activator (PA) system has been proposed to have important roles in rheumatoid arthritis. Here we have used the autoinumme collagen type II (CII)-induced arthritis (CIA) model and mice deficient for urokinase-type PA (uPA) or plasminogen to investigate the role of the PA system for development of arthritis. Our data revealed that uPA-deficient mice have a lower severity and incidenc

To elucidate the effect and mode of action of propofol on human vascular smooth muscle tension, we have investigated the effect of propofol alone and the effect of propofol on contractions induced by U46619, KCl and caffeine on isolated human omental vessels. Propofol 10(-3) mol litre-1 induced contractions in both arteries and veins attenuated the contraction elicited by U46619, KCl and caffeine

Aims/hypothesis: The study evaluated whether glucagon secretion is regulated by changes in insulin sensitivity under normal conditions. Materials and methods: A total of 155 healthy women with NGT (aged 53-70 years) underwent a glucose-dependent arginine-stimulation test for evaluation of glucagon secretion. Arginine (5 g) was injected i.v. under fasting conditions (plasma glucose 4.8 +/- 0.1 mmol

OBJECTIVES: The pattern of reflux in the most distal esophagus of asymptomatic individuals is largely unknown. Using a wireless technique we compared the degree and the pattern of acid reflux just above the squamocolumnar junction (SCJ) with that measured at the conventional level for pH monitoring. METHODS: Fifty-three asymptomatic volunteers underwent endoscopy with transoral placement of two pH

The tourmaline group of minerals is indeed an enigma. Experimental data from optical spectroscopy, electron microscopy, and Mossbauer spectroscopy reveal a host of physical properties that lack a common structural clarification. For example, tourmaline samples change colour when irradiated with X-ray and gamma-ray radiations some reverting back when heated in air; exhibit simultaneous oxidation an

Objective. The objective was to study primary healthcare patients' understanding of their diagnosis of heart failure (HF), using patients treated for diabetes mellitus (DM) as a comparative group. Design. A cross-sectional community based study. Setting. Karlskrona community situated on the Swedish south-east coast with 60 600 inhabitants. Subjects. A total of 1402 subjects, aged 60 - 96 years in

The paper focuses on the changing economic geographies of the outer city of Copenhagen. The outer city is not a well-defined place but can be understood as a set of processes transforming the urban economic landscape outside the built- up area. Several central and interrelated economic processes transform the outer city. The paper examines the changing industrial dynamics and location spaces withi