455 research outputs found
Role of the exchange and correlation potential into calculating the x-ray absorption spectra of half-metallic alloys: the case of Mn and Cu K-edge XANES in CuMnM (M = Al, Sn, In) Heusler alloys
This work reports a theoretical study of the x-ray absorption near-edge
structure spectra at both the Cu and the Mn K-edge in several CuMnM (M= Al,
Sn and In) Heusler alloys. Our results show that {\it ab-initio} single-channel
multiple-scattering calculations are able of reproducing the experimental
spectra. Moreover, an extensive discussion is presented concerning the role of
the final state potential needed to reproduce the experimental data of these
half-metallic alloys. In particular, the effects of the cluster-size and of the
exchange and correlation potential needed in reproducing all the experimental
XANES features are discussed.Comment: 15 pages, 5 figure
Formation of molecular oxygen in ultracold O + OH reaction
We discuss the formation of molecular oxygen in ultracold collisions between
hydroxyl radicals and atomic oxygen. A time-independent quantum formalism based
on hyperspherical coordinates is employed for the calculations. Elastic,
inelastic and reactive cross sections as well as the vibrational and rotational
populations of the product O2 molecules are reported. A J-shifting
approximation is used to compute the rate coefficients. At temperatures T = 10
- 100 mK for which the OH molecules have been cooled and trapped
experimentally, the elastic and reactive rate coefficients are of comparable
magnitude, while at colder temperatures, T < 1 mK, the formation of molecular
oxygen becomes the dominant pathway. The validity of a classical capture model
to describe cold collisions of OH and O is also discussed. While very good
agreement is found between classical and quantum results at T=0.3 K, at higher
temperatures, the quantum calculations predict a larger rate coefficient than
the classical model, in agreement with experimental data for the O + OH
reaction. The zero-temperature limiting value of the rate coefficient is
predicted to be about 6.10^{-12} cm^3 molecule^{-1} s^{-1}, a value comparable
to that of barrierless alkali-metal atom - dimer systems and about a factor of
five larger than that of the tunneling dominated F + H2 reaction.Comment: 9 pages, 8 figure
Deciding the Winner of an Arbitrary Finite Poset Game is PSPACE-Complete
A poset game is a two-player game played over a partially ordered set (poset)
in which the players alternate choosing an element of the poset, removing it
and all elements greater than it. The first player unable to select an element
of the poset loses. Polynomial time algorithms exist for certain restricted
classes of poset games, such as the game of Nim. However, until recently the
complexity of arbitrary finite poset games was only known to exist somewhere
between NC^1 and PSPACE. We resolve this discrepancy by showing that deciding
the winner of an arbitrary finite poset game is PSPACE-complete. To this end,
we give an explicit reduction from Node Kayles, a PSPACE-complete game in which
players vie to chose an independent set in a graph
An adrenal beta-arrestin 1-mediated signaling pathway underlies angiotensin II-induced aldosterone production in vitro and in vivo.
Aldosterone produces a multitude of effects in vivo, including promotion of postmyocardial infarction adverse cardiac remodeling and heart failure progression. It is produced and secreted by the adrenocortical zona glomerulosa (AZG) cells after angiotensin II (AngII) activation of AngII type 1 receptors (AT(1)Rs). Until now, the general consensus for AngII signaling to aldosterone production has been that it proceeds via activation of G(q/11)-proteins, to which the AT(1)R normally couples. Here, we describe a novel signaling pathway underlying this AT(1)R-dependent aldosterone production mediated by beta-arrestin-1 (betaarr1), a universal heptahelical receptor adapter/scaffolding protein. This pathway results in sustained ERK activation and subsequent up-regulation of steroidogenic acute regulatory protein, a steroid transport protein regulating aldosterone biosynthesis in AZG cells. Also, this betaarr1-mediated pathway appears capable of promoting aldosterone turnover independently of G protein activation, because treatment of AZG cells with SII, an AngII analog that induces betaarr, but not G protein coupling to the AT(1)R, recapitulates the effects of AngII on aldosterone production and secretion. In vivo, increased adrenal betaarr1 activity, by means of adrenal-targeted adenoviral-mediated gene delivery of a betaarr1 transgene, resulted in a marked elevation of circulating aldosterone levels in otherwise normal animals, suggesting that this adrenocortical betaarr1-mediated signaling pathway is operative, and promotes aldosterone production and secretion in vivo, as well. Thus, inhibition of adrenal betaarr1 activity on AT(1)Rs might be of therapeutic value in pathological conditions characterized and aggravated by hyperaldosteronism
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