ArticleWe present a detailed account of the GW space-time method. The method increases the size of systems whose electronic structure can be studied with a computational implementation of Hedin's GW approximation. At the heart of the method is a representation of the Green's function G and the screened Coulomb interaction W in the real-space and imaginary-time domain, which allows a more efficient computation of the self-energy approximation Σ = iGW . For intermediate steps we freely change between representations in real and reciprocal space on the one hand, and imaginary time and imaginary energy on the other, using fast Fourier transforms. The power of the method is demonstrated using the example of Si with artificially increased unit cell sizes. keywords: electronic structure, quasiparticle energies, selfenergy calculations, GW approximation 71.15. Th,79.60.Jv
\The respiratory capacity of Saccharomyces cerevisiae growing in continuous culture on glucose and on mixtures of glucose and ethanol was investigated. An oxygen uptake rate of 8 mmol g-l h-l was found to limit the ability of the organism to degrade a substrate purely oxidatively. On glucose as sole energy and carbon source, this respiration rate was invariably achieved at an identical growth rate and thus at an identical substrate uptake rate when the inlet glucose concentration was varied. The rate of ethanol co-consumption together with glucose was strictly governed by this limiting maximum respiratory capacity and no repression of respiration was observed at dilution rates where ethanol was excreted by the cells. Hence, a limitation in some step in the oxidative branch of catabolism is likely to be responsible for incomplete oxidation of glucose at high growth rates rather than an undefined action of glucose repression.
We evaluate the electronic self-energy Σ(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential Vim not present in any local-density approximation for exchange and correlation. We solve the energy-dependent quasiparticle equations to obtain surface state wavefunctions, and calculate the effective local potential experienced by electrons in the near-surface region. We find that Vim for unoccupied states is due to correlation (not exchange). The image-plane position for interacting electrons is considerably closer to the surface than for the purely electrostatic effects felt by test charges, and, like its classical counterpart, is drawn inwards by the effects of atomic structure.
In human medicine, procalcitonin (PCT) is a very common and well-established biomarker for sepsis. Even though sepsis is also a leading cause of death in foals and adult horses, up to now, no data about the role of equine PCT in septic horses has been available. Based on monoclonal antibodies targeted against human PCT, we report here the development of a sandwich ELISA for the quantification of equine PCT in equine plasma samples. The ELISA was characterized for intra- and interassay variance and a working range from 25 to 1,000 ng mL(-1) was defined as within this range; both intra- and interassay variances were below 15 %. The target recovery ranged between 73 and 106 %. The ELISA was used to determine the equine PCT concentration in 24 healthy and 5 septic horses to show the potential for clinical evaluation of equine PCT. Significantly different (P = 0.0006) mean equine PCT concentrations were found for the healthy control group and the sepsis group (47 and 8,450 ng mL(-1)).
In this interdisciplinary approach, the dynamics of production and degradation of the quorum sensing signal 3-oxo-decanoylhomoserine lactone were studied for continuous cultures of Pseudomonas putida IsoF. The signal concentrations were quantified over time by use of monoclonal antibodies and ELISA. The results were verified by use of ultra-high-performance liquid chromatography. By use of a mathematical model we derived quantitative values for non-induced and induced signal production rate per cell. It is worthy of note that we found rather constant values for different rates of dilution in the chemostat, and the values seemed close to those reported for batch cultures. Thus, the quorum-sensing system in P. putida IsoF is remarkably stable under different environmental conditions. In all chemostat experiments, the signal concentration decreased strongly after a peak, because emerging lactonase activity led to a lower concentration under steady-state conditions. This lactonase activity probably is quorum sensing-regulated. The potential ecological implication of such unique regulation is discussed.
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