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Multiconfigurational second-order perturbation theory, both in its single-state multiconfigurational second-order perturbation theory (CASPT2) and multistate (MS-CASPT2) formulations, is used to search for minima on the crossing seams between different potential energy hypersurfaces of electronic states in several molecular systems. The performance of the procedures is tested and discussed, focusi
Modification of graphite based screen printed electrodes (SPEs) by electrosynthesised polyaniline (PANI) has been applied to improve the electron exchange between cellobiose dehydrogenase (CDH, EC 1.1.99.18) from the ascomycete Myriococcum thermophilum and the surface of the SPE. The redox intermediate layer of the conducting polymer promotes the bioelectrocatalysis providing a higher current for
OBJECTIVE: In acute lung injury (ALI) mechanical ventilation damages lungs. We hypothesised that aspiration and replacement of dead space during expiration (ASPIDS) allows normocapnic ventilation at higher end-expiratory pressure (PEEP) and reduced tidal volume (V(T)), peak and plateau pressures (Paw(peak), Paw(plat)), thus avoiding lung damage. SETTING: University Hospital. PATIENTS: Seven consec
This paper presents existence theories for several families of small-amplitude solitary-wave solutions to the classical two-dimensional water-wave problem in the presence of surface tension and with an arbitrary distribution of vorticity. Moreover, the established local bifurcation diagram for irrotational solitary waves is shown to remain qualitatively unchanged for any choice of vorticity distri
Cancer cells have aberrant patterns of DNA methylation including hypermethylation of gene promoter CpG islands and global demethylation of the genome. Genes that cause familial cancer, as well as other genes, can be silenced by promoter hypermethylation in sporadic tumors, but the methylation of these genes in tumors from kindreds with inherited cancer syndromes has not been well characterized. He
To maintain resting potentials in darkness, rod and cone photoreceptors incur a significant energy cost. But in brighter light, rods become energetically 'cheaper' than cones, which might explain the evolution of the vertebrate duplex retina.
Numerical simulations coupled with laser Doppler velocimetry (LDV) experiments were carried out to investigate a slot jet issued into a cross flow, which is relevant in the film cooling of gas turbine combustors. The film-cooling fluid injection from slots or holes into a cross flow produces highly complicated flow,fields. In this paper, the time-averaged Navier-Stokes equations were solved on a c
Males of the European pine sawfly, Neodiprion sertifer Geoffr., were marked and released downwind from pheromone traps, baited with 100 mug of the sex pheromone (2S,3S,7S)-3,7-dimethyl-2-pentadecyl acetate. Males were released 5 m downwind from one trap, or downwind from five traps, 50 m or 200 m away. The average capture rates after 24 hr were 21.5%, 17.7% and 3.8%, respectively. The capture rate
Incorporation of the antimicrobial peptide LL-37 (LLGDFFRKSKEKIGKEFKRIVQRIKDFLRNLVPRTES), as well as low molecular weight antimicrobial chlorhexidine, into mesoporous silica was obtained using an EISA one-pot synthesis method. FTIR confirmed efficient encapsulation of both LL-37 and chlorhexidine into mesoporous silica, while XRD and TEM showed that antimicrobial agent incorporation can be achieve
The aim of the study was to determine whether indoor lighting and colour would have any systematic impact on the mood of people working indoors. Earlier studies have mostly focused either on light, colour or windows in laboratory settings. The present study was carried out in real work environments at different seasons and in countries with different latitudes. A total of 988 persons completed all
Abstract Low aqueous solubility of lipophilic agents, such as free fatty acids, hampers proper in vitro demonstration of biological effects, yielding an ambiguous in vitro-in vivo correlation. We have therefore developed a method for evaluating the acute effects of lipophilic substances on the shape of erythrocytes and estimated EC50 and Hill coefficient according to the sigmoidal Emax model. T
Objective: Chemokines are small soluble molecules which mediate leukocyte migration and may be involved in the pathophysiology of preterm labor. We aimed to determine if serum concentrations of selected chemokines are changed in preterm labor and delivery. Study design: A novel array-based enzyme-linked immunosorbent assay was used to quantitate serum levels of nine chemokines from a single sample
Models of eye movement control in natural scenes often distinguish between stimulus-driven processes (which guide the eyes to visually salient regions) and those based on task and object knowledge (which depend on expectations or identification of objects and scene gist). In the present investigation, the eye movements of a patient with visual agnosia were recorded while she searched for objects w
