238 research outputs found
Including nonlocality in exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of electron liquids
We develop a scheme for building the scalar exchange-correlation (xc) kernel
of time-dependent density functional theory (TDDFT) from the tensorial kernel
of time-dependent {\em current} density functional theory (TDCDFT) and the
Kohn-Sham current density response function. Resorting to the local
approximation to the kernel of TDCDFT results in a nonlocal approximation to
the kernel of TDDFT, which is free of the contradictions that plague the
standard local density approximation (LDA) to TDDFT. As an application of this
general scheme, we calculate the dynamical xc contribution to the stopping
power of electron liquids for slow ions to find that our results are in
considerably better agreement with experiment than those obtained using TDDFT
in the conventional LDA.Comment: 6 pages, 3 figures, accepted to Phys. Rev.
Time-Dependent Density-Functional Theory for the Stopping Power of an Interacting Electron Gas for Slow Ions
Based on the time-dependent density-functional theory, we have derived a
rigorous formula for the stopping power of an {\it interacting} electron gas
for ions in the limit of low projectile velocities. If dynamical correlation
between electrons is not taken into account, this formula recovers the
corresponding stopping power of {\it noninteracting} electrons in an effective
Kohn-Sham potential. The correlation effect, specifically the excitonic one in
electron-hole pair excitations, however, is found to considerably enhance the
stopping power for intermediately charged ions, bringing our theory into good
agreement with experiment.Comment: 4 pages, 1 figure, Accepted to Phys. Rev. B (Rapid Communication
Simulations of Weighted Tree Automata
Simulations of weighted tree automata (wta) are considered. It is shown how
such simulations can be decomposed into simpler functional and dual functional
simulations also called forward and backward simulations. In addition, it is
shown in several cases (fields, commutative rings, Noetherian semirings,
semiring of natural numbers) that all equivalent wta M and N can be joined by a
finite chain of simulations. More precisely, in all mentioned cases there
exists a single wta that simulates both M and N. Those results immediately
yield decidability of equivalence provided that the semiring is finitely (and
effectively) presented.Comment: 17 pages, 2 figure
Electronic structure investigation of Ti3AlC2, Ti3SiC2, and Ti3GeC2 by soft-X-ray emission spectroscopy
The electronic structures of epitaxially grown films of Ti3AlC2, Ti3SiC2 and
Ti3GeC2 have been investigated by bulk-sensitive soft X-ray emission
spectroscopy. The measured high-resolution Ti L, C K, Al L, Si L and Ge M
emission spectra are compared with ab initio density-functional theory
including core-to-valence dipole matrix elements. A qualitative agreement
between experiment and theory is obtained. A weak covalent Ti-Al bond is
manifested by a pronounced shoulder in the Ti L-emission of Ti3AlC2. As Al is
replaced with Si or Ge, the shoulder disappears. For the buried Al and
Si-layers, strongly hybridized spectral shapes are detected in Ti3AlC2 and
Ti3SiC2, respectively. As a result of relaxation of the crystal structure and
the increased charge-transfer from Ti to C, the Ti-C bonding is strengthened.
The differences between the electronic structures are discussed in relation to
the bonding in the nanolaminates and the corresponding change of materials
properties.Comment: 15 pages, 8 figure
Foliar δ15N values characterize soil N cycling and reflect nitrate or ammonium preference of plants along a temperate grassland gradient
The natural abundance of stable 15N isotopes in soils and plants is potentially a simple tool to assess ecosystem N dynamics. Several open questions remain, however, in particular regarding the mechanisms driving the variability of foliar δ15N values of non-N2 fixing plants within and across ecosystems. The goal of the work presented here was therefore to: (1) characterize the relationship between soil net mineralization and variability of foliar Δδ15N (δ15Nleaf − δ15Nsoil) values from 20 different plant species within and across 18 grassland sites; (2) to determine in situ if a plant’s preference for NO3− or NH4+ uptake explains variability in foliar Δδ15N among different plant species within an ecosystem; and (3) test if variability in foliar Δδ15N among species or functional group is consistent across 18 grassland sites. Δδ15N values of the 20 different plant species were positively related to soil net mineralization rates across the 18 sites. We found that within a site, foliar Δδ15N values increased with the species’ NO3− to NH4+ uptake ratios. Interestingly, the slope of this relationship differed in direction from previously published studies. Finally, the variability in foliar Δδ15N values among species was not consistent across 18 grassland sites but was significantly influenced by N mineralization rates and the abundance of a particular species in a site. Our findings improve the mechanistic understanding of the commonly observed variability in foliar Δδ15N among different plant species. In particular we were able to show that within a site, foliar δ15N values nicely reflect a plant’s N source but that the direction of the relationship between NO3− to NH4+ uptake and foliar Δδ15N values is not universal. Using a large set of data, our study highlights that foliar Δδ15N values are valuable tools to assess plant N uptake patterns and to characterize the soil N cycle across different ecosystems
Effects of rose hip intake on risk markers of type 2 diabetes and cardiovascular disease: a randomized, double-blind, cross-over investigation in obese persons
BACKGROUND/OBJECTIVES:In studies performed in mice, rose hip powder has been shown to both prevent and reverse high-fat diet-induced obesity and glucose intolerance as well as reduce plasma levels of cholesterol. The aim of this study was to investigate whether daily intake of rose hip powder over 6 weeks exerts beneficial metabolic effects in obese individuals.SUBJECTS/METHODS:A total of 31 obese individuals with normal or impaired glucose tolerance were enrolled in a randomized, double-blind, cross-over study in which metabolic effects of daily intake of a rose hip powder drink over 6 weeks was compared with a control drink. Body weight, glucose tolerance, blood pressure, blood lipids and markers of inflammation were assessed in the subjects.RESULTS:In comparison with the control drink, 6 weeks of daily consumption of the rose hip drink resulted in a significant reduction of systolic blood pressure (-3.4%; P=0.021), total plasma cholesterol (-4.9%; P=0.0018), low-density lipoprotein (LDL) cholesterol (-6.0%; P=0.012) and LDL/HDL ratio (-6.5%; P=0.041). The Reynolds risk assessment score for cardiovascular disease was decreased in the rose hip group compared with the control group (-17%; P=0.007). Body weight, diastolic blood pressure, glucose tolerance, and plasma levels of high-density lipoprotein (HDL) cholesterol, triglycerides, incretins and markers of inflammation did not differ between the two groups.CONCLUSIONS:Daily consumption of 40 g of rose hip powder for 6 weeks can significantly reduce cardiovascular risk in obese people through lowering of systolic blood pressure and plasma cholesterol levels.European Journal of Clinical Nutrition advance online publication, 14 December 2011; doi:10.1038/ejcn.2011.203
Biogenic Volatile Organic Compound and Respiratory CO2 Emissions after 13C-Labeling: Online Tracing of C Translocation Dynamics in Poplar Plants
Globally plants are the primary sink of atmospheric CO(2), but are also the major contributor of a large spectrum of atmospheric reactive hydrocarbons such as terpenes (e.g. isoprene) and other biogenic volatile organic compounds (BVOC). The prediction of plant carbon (C) uptake and atmospheric oxidation capacity are crucial to define the trajectory and consequences of global environmental changes. To achieve this, the biosynthesis of BVOC and the dynamics of C allocation and translocation in both plants and ecosystems are important.We combined tunable diode laser absorption spectrometry (TDLAS) and proton transfer reaction mass spectrometry (PTR-MS) for studying isoprene biosynthesis and following C fluxes within grey poplar (Populus x canescens) saplings. This was achieved by feeding either (13)CO(2) to leaves or (13)C-glucose to shoots via xylem uptake. The translocation of (13)CO(2) from the source to other plant parts could be traced by (13)C-labeled isoprene and respiratory (13)CO(2) emission.In intact plants, assimilated (13)CO(2) was rapidly translocated via the phloem to the roots within 1 hour, with an average phloem transport velocity of 20.3±2.5 cm h(-1). (13)C label was stored in the roots and partially reallocated to the plants' apical part one day after labeling, particularly in the absence of photosynthesis. The daily C loss as BVOC ranged between 1.6% in mature leaves and 7.0% in young leaves. Non-isoprene BVOC accounted under light conditions for half of the BVOC C loss in young leaves and one-third in mature leaves. The C loss as isoprene originated mainly (76-78%) from recently fixed CO(2), to a minor extent from xylem-transported sugars (7-11%) and from photosynthetic intermediates with slower turnover rates (8-11%).We quantified the plants' C loss as respiratory CO(2) and BVOC emissions, allowing in tandem with metabolic analysis to deepen our understanding of ecosystem C flux
Microstructure evolution of Ti–Si–C–Ag nanocomposite coatings deposited by DC magnetron sputtering
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