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We have examined the effect of geometry optimisation on energies calculated with the quantum-mechanical (QM) cluster, the combined QM and molecular-mechanics (QM/MM), the big-QM approaches (very large single-point QM calculations taken from QM/MM-optimised structures, including all atoms within 4.5 Å of the minimal active site, all buried charged groups in the protein, and truncations moved at lea
Folate concentrations in strawberries and folate retention during storage and commercial processing of strawberries were investigated. No previous study has focused on the effects of cultivar, ripeness, and year of harvest of strawberries with respect to the folate content. This study showed the folate concentration in strawberries to significantly depend on all of these different factors. Total f
The removal of chemical oxygen demand (COD) from wastewater-containing phenol was investigated using three-phase three-dimensional electrode reactor. Special attention was paid to experimentally probe the performance of the reactor in COD removal in the process of repeated batch runs. The experimental results showed that the reactor could remove COD from phenol-containing wastewater much more effi
Severe hypoglycemia was induced by insulin in lightly anaesthetized (70°o N2O) and artificially ventilated rats. Brain tissue was frozen in situ after spontaneous EEG potentials had disappeared for 5. 10. 15 or 30 min and cerebral cortex concentrations of labile organic phosphates, glycolytic metabolites, ammonia and amino acids were determined. In other experiments, recovery was induced by glucos
Helicobacter pylori exists in two different morphological forms, spiral and coccoid. This study demonstrated that both forms can infect BALB/c A mice. The animals were inoculated orally three times at 2-day intervals with 10(8) cfu of both spiral and coccoid forms of strain CCUG 17874 (NCTC 11637), strain 25 and strain 553/93. Infection was followed over a 30-week period by histological scoring of
Shore and shoreline evolution both due to natural and human-induced causes or factors can be variable over a wide range of different temporal and/or spatial scales. Our capability to understand and especially predict this variability is still limited. This can lead to misinterpretation of coastal change information, which hampers informed decision making and the subsequent design and implementatio
Wilms tumor (WT) is characterized by a nonrandom pattern of chromosome aberrations, but the clinical significance of different cytogenetic patterns is unknown. The present study describes the cytogenetic findings and the clinical course in a cohort of 39 children with WT. Samples for short-term culturing and cytogenetic analysis were obtained during a 15-year period. Clonal chromosome aberrations
The effect of the simultaneous administration of norepinephrine and 5-fluorouracil (5-FU) on the uptake of radiolabelled 5-FU by liver tumours was studied in rats. Three different concentrations of 5-FU were used (15, 1.5 and 0.15 microgram/g body weight). The drugs were infused over a 30 min period via the hepatic artery, following cannulation of the gastroduodenal artery. The radioactivity in li
A short or otherwise suboptimal neck precludes the use of endovascular repair in 30% to 50% of patients with abdominal aortic aneurysms. Stent-graft fixation in an unsuitable neck carries the risk of technical failure owing to development of a proximal endoleak or stent-graft migration. Furthermore, in some patients, the neck dilates postoperatively. Endovascular healing with tissue incorporation
By recognizing and characterizing conditions under which atrial fibrillation (AF) is likely to terminate spontaneously or be sustained, improved treatment of sustained AF may result and unnecessary treatment of self-terminating AF avoided. Time-frequency measures that characterize AF, such as fibrillatory frequency, amplitude, and waveform shape (exponential decay), are extracted from the residual
Background: Urokinase-type plasminogen activator (uPA) and its inhibitor (PAI-1) play essential roles in tumor invasion and metastasis. High levels of both uPA and PAT-1 are associated with poor prognosis in breast cancer patients. To confirm the prognostic value of uPA and PAI-1 in primary breast cancer, we reanalyzed individual patient data provided by members of the European Organization for Re
The coronary arteries of the isolated rabbit heart were perfused with different contrast media (CM). The effects on cardiac contractile force (CF) from enriching iohexol solutions with sodium, calcium, potassium, magnesium and oxygen were investigated. The effects were studied during normal and reduced perfusion pressure; the latter was intended to simulate flow conditions distal to proximal steno
We present a theoretical analysis of the interfacial tensions of microemulsions in ternary systems water-oil-nonionic surfactant. For surfactants based on oligo-ethylene oxide head-groups the temperature can be used to tune the properties of the microemulsions. Explicit expressions are derived for the interfacial tension of both droplet and bicontinuous microemulsions. We also discuss the effect o
We investigate the competition between the associations of oppositely charged protein-surfactant complexes and oppositely charged surfactant complexes. In all systems examined, the most favorable complexation is the one between the two oppositely charged surfactant ions, despite the strong binding known, for example, dodecyl sulfate, DS-, to lysozyme. Thus, the phase behavior of the catanionic sys
The alkaline sphingomyelinase (SMase) was first found in rat intestinal brush border. The important roles of this enzyme in digestion of sphingomyelin and in mucosal cell proliferation have been suggested. In the present work, the distribution of the alkaline SMase in the tissues of human beings and animals have been studied. By assaying the enzyme activity in human biopsy samples, we found that t
Background Atopic dermatitis (AD) affects health and quality of life (QoL) and also has great impact on both healthcare costs and costs to society. Objectives The aim of the study was to analyse the cost-effectiveness of treatment with tacrolimus ointment vs. standard treatment in patients with moderate to severe AD. Methods A Markov simulation model was constructed capturing several key features
The camera eyes of fishes and cephalopods have come forth by convergent evolution. In a variety of vertebrates capable of color vision, longitudinal chromatic aberration (LCA) of the optical system is corrected for by the exactly tuned longitudinal spherical aberration (LSA) of the crystalline lens. The LSA leads to multiple focal lengths, such that several wavelengths can be focused on the retina
Although up to 30% of babies born with haemophilia do not have a family history of the disorder, the remaining 70% are born in families where haemophilia has been diagnosed. It has been estimated that for each male with haemophilia, there are five potential female carriers. Such women will benefit from knowledge of both their genetic (mutation present or not) and phenotype (level of plasma factor
Background: No recommendation exists on the amount of petrolatum (pet.) preparation to be applied in a Finn Chamber (R) or van der Bend Chamber. Objectives: The aim of this study was to determine the appropriate amount of pet. preparation to apply in the Finn and van der Bend chambers. Methods: 12 volunteers were patch tested with green-coloured pet. in Finn and van der Bend chambers on the back o
