Spin-polarization-induced structural selectivity in Pd3X_3X and Pt3X_3X (X=3dX=3d) compounds

Spin-polarization is known to lead to important {\it magnetic} and {\it optical} effects in open-shell atoms and elemental solids, but has rarely been implicated in controlling {\it structural} selectivity in compounds and alloys. Here we show that spin-polarized electronic structure calculations are crucial for predicting the correct $T=0$ crystal structures for Pd$_3X$ and Pt$_3X$ compounds. Spin-polarization leads to (i) stabilization of the $L1_2$ structure over the $DO_{22}$ structure in Pt$_3$Cr, Pd$_3$Cr, and Pd$_3$Mn, (ii) to the stabilization of the $DO_{22}$ structure over the $L1_2$ structure in Pd$_3$Co and to (iii) ordering (rather than phase-separation) in Pt$_3$Co and Pd$_3$Cr. The results are analyzed in terms of first-principles local spin density calculations.Comment: 4 pages, REVTEX, 3 eps figures, to appear in PR

Single-Molecule Dynamics of the Calcium-Dependent Activation of Plasma-Membrane Ca2+-ATPase by Calmodulin

AbstractThe plasma membrane calcium-ATPase (PMCA) helps to control cytosolic calcium levels by pumping out excess Ca2+. PMCA is regulated by the Ca2+ signaling protein calmodulin (CaM), which stimulates PMCA activity by binding to an autoinhibitory domain of PMCA. We used single-molecule polarization methods to investigate the mechanism of regulation of the PMCA by CaM fluorescently labeled with tetramethylrhodamine. The orientational mobility of PMCA-CaM complexes was determined from the extent of modulation of single-molecule fluorescence upon excitation with a rotating polarization. At a high Ca2+ concentration, the distribution of modulation depths reveals that CaM bound to PMCA is orientationally mobile, as expected for a dissociated autoinhibitory domain of PMCA. In contrast, at a reduced Ca2+ concentration a population of PMCA-CaM complexes appears with significantly reduced orientational mobility. This population can be attributed to PMCA-CaM complexes in which the autoinhibitory domain is not dissociated, and thus the PMCA is inactive. The presence of these complexes demonstrates the inadequacy of a two-state model of Ca2+ pump activation and suggests a regulatory role for the low-mobility state of the complex. When ATP is present, only the high-mobility state is detected, revealing an altered interaction between the autoinhibitory and nucleotide-binding domains

Relativistic Proton Production During the 14 July 2000 Solar Event: The Case for Multiple Source Mechanisms

Protons accelerated to relativistic energies by transient solar and interplanetary phenomena caused a ground-level cosmic ray enhancement on 14 July 2000, Bastille Day. Near-Earth spacecraft measured the proton flux directly and ground-based observatories measured the secondary responses to higher energy protons. We have modelled the arrival of these relativistic protons at Earth using a technique which deduces the spectrum, arrival direction and anisotropy of the high-energy protons that produce increased responses in neutron monitors. To investigate the acceleration processes involved we have employed theoretical shock and stochastic acceleration spectral forms in our fits to spacecraft and neutron monitor data. During the rising phase of the event (10:45 UT and 10:50 UT) we find that the spectrum between 140 MeV and 4 GeV is best fitted by a shock acceleration spectrum. In contrast, the spectrum at the peak (10:55 UT and 11:00 UT) and in the declining phase (11:40 UT) is best fitted with a stochastic acceleration spectrum. We propose that at least two acceleration processes were responsible for the production of relativistic protons during the Bastille Day solar event: (1) protons were accelerated to relativistic energies by a shock, presumably a coronal mass ejection (CME). (2) protons were also accelerated to relativistic energies by stochastic processes initiated by magnetohydrodynamic (MHD) turbulence.Comment: 38 pages, 9 figures, accepted for publication in the Astrophysical Journal, January, 200

On the Estimation of Solar Energetic Particle Injection Timing from Onset Times near Earth

We examine the accuracy of a common technique for estimating the start time of solar energetic particle injection based on a linear fit to the observed onset time versus 1/(particle velocity). This is based on a concept that the first arriving particles move directly along the magnetic field with no scattering. We check this by performing numerical simulations of the transport of solar protons between 2 and 2000 MeV from the Sun to the Earth, for several assumptions regarding interplanetary scattering and the duration of particle injection, and analyzing the results using the inverse velocity fit. We find that in most cases, the onset times align close to a straight line as a function of inverse velocity. Despite this, the estimated injection time can be in error by several minutes. Also, the estimated path length can deviate greatly from the actual path length along the interplanetary magnetic field. The major difference between the estimated and actual path lengths implies that the first arriving particles cannot be viewed as moving directly along the interplanetary magnetic field.Comment: 19 pages, 3 Postscript figures. Astrophys. J., in pres

Forbush decreases and turbulence levels at CME fronts

We seek to estimate the average level of MHD turbulence near coronal mass ejection (CME) fronts as they propagate from the Sun to the Earth. We examine the cosmic ray data from the GRAPES-3 tracking muon telescope at Ooty, together with the data from other sources for three well observed Forbush decrease events. Each of these events are associated with frontside halo Coronal Mass Ejections (CMEs) and near-Earth magnetic clouds. In each case, we estimate the magnitude of the Forbush decrease using a simple model for the diffusion of high energy protons through the largely closed field lines enclosing the CME as it expands and propagates from the Sun to the Earth. We use estimates of the cross-field diffusion coefficient $D_{\perp}$ derived from published results of extensive Monte Carlo simulations of cosmic rays propagating through turbulent magnetic fields. Our method helps constrain the ratio of energy density in the turbulent magnetic fields to that in the mean magnetic fields near the CME fronts. This ratio is found to be $\sim$ 2% for the 11 April 2001 Forbush decrease event, $\sim$ 6% for the 20 November 2003 Forbush decrease event and $\sim$ 249% for the much more energetic event of 29 October 2003.Comment: Accepted for publication in Astronomy and Astrophysics. (Abstract abridged) Typos correcte

Increased risk of bone fractures in hemodialysis patients treated with proton pump inhibitors in real world: results from the Dialysis Outcomes and Practice Patterns Study (DOPPS)

Long-term treatment with Proton Pump Inhibitors (PPIs) is associated with an increased risk of fractures in the general population. PPIs are widely prescribed to dialysis patients but to date no study specifically tested, by state-of-art statistical methods, the relationship between PPIs use and fractures in this patient-population. This study aimed to assess whether PPIs use is associated with bone fractures (i.e. hip fractures and fractures other than hip fractures) in a large international cohort of hemodialysis patients. We considered an observational prospective cohort of 27097 hemodialysis patients from the DOPPS study. Data analysis was performed by the Fine & Gray method, considering the competitive risk of mortality, as well as by a cause-specific hazards Cox model dealing death as a censoring event and matching patients according to the prescription time. Out of 27,097 hemodialysis patients, 13,283 patients (49%) were on PPI treatment. Across the follow-up (median:19\u2009months), 3.8 bone fractures x 100 person-years and 1.2 hip fractures x 100 person-years occurred. In multiple Cox models, considering the competitive risk of mortality, the incidence rate of bone (SHR: 1.22, 95% CI: 1.10-1.36, P\u2009<\u20090.001) and hip fractures (SHR: 1.35, 95% CI: 1.13-1.62, P = 0.001) was significantly higher in PPI treated than in PPI untreated patients. These findings held true also in multiple, cause-specific, hazards Cox models matching patients according to the prescription time (bone fractures, HR: 1.47, 95% CI: 1.23-1.76, P\u2009<\u20090.001, hip fractures (HR: 1.85, 95% CI: 1.37-2.50, P\u2009<\u20090.001). The use of PPIs requires caution and a careful evaluation of risks/benefits ratio in hemodialysis patients

Faddeev Calculations of Proton-Deuteron Radiative Capture with Exchange Currents

pd capture processes at various energies have been analyzed based on solutions of 3N-Faddeev equations and using modern NN forces. The application of the Siegert theorem is compared to the explicit use of $\pi$- and $\rho$-like exchange currents connected to the AV18 NN interaction. Overall good agreement with cross sections and spin observables has been obtained but leaving room for improvement in some cases. Feasibility studies for 3NF's consistently included in the 3N continuum and the 3N bound state have been performed as well.Comment: Minor changes in notation, ps files for figure

Transition from ion-coupled to electron-only reconnection: Basic physics and implications for plasma turbulence

Using kinetic particle-in-cell (PIC) simulations, we simulate reconnection conditions appropriate for the magnetosheath and solar wind, i.e., plasma beta (ratio of gas pressure to magnetic pressure) greater than 1 and low magnetic shear (strong guide field). Changing the simulation domain size, we find that the ion response varies greatly. For reconnecting regions with scales comparable to the ion Larmor radius, the ions do not respond to the reconnection dynamics leading to ''electron-only'' reconnection with very large quasi-steady reconnection rates. The transition to more traditional ''ion-coupled'' reconnection is gradual as the reconnection domain size increases, with the ions becoming frozen-in in the exhaust when the magnetic island width in the normal direction reaches many ion inertial lengths. During this transition, the quasi-steady reconnection rate decreases until the ions are fully coupled, ultimately reaching an asymptotic value. The scaling of the ion outflow velocity with exhaust width during this electron-only to ion-coupled transition is found to be consistent with a theoretical model of a newly reconnected field line. In order to have a fully frozen-in ion exhaust with ion flows comparable to the reconnection Alfv\'en speed, an exhaust width of at least several ion inertial lengths is needed. In turbulent systems with reconnection occurring between magnetic bubbles associated with fluctuations, using geometric arguments we estimate that fully ion-coupled reconnection requires magnetic bubble length scales of at least several tens of ion inertial lengths

Possible Tomography of the Sun's Magnetic Field with Solar Neutrinos

The data from solar neutrino experiments together with standard solar model predictions are used in order to derive the possible profile of the magnetic field inside the Sun, assuming the existence of a sizeable neutrino magnetic moment and the resonant spin flavour mechanism. The procedure is based on the relationship between resonance location and the energy dependent neutrino suppression, so that a large neutrino suppression at a given energy is taken to be connected to a large magnetic field in a given region of the Sun. In this way it is found that the solar field must undergo a very sharp increase by a factor of at least 6 - 7 over a distance no longer than 7 - 10% of the solar radius, decreasing gradually towards the surface. The range in which this sharp increase occurs is likely to be the bottom of the convective zone. There are also indications in favour of the downward slope being stronger at the start and more moderate on approaching the solar surface. Typical ranges for the magnetic moment are from a few times 10^{-13}\mu_B to its laboratory upper bounds while the mass square difference between neutrino flavours is of order (0.6-1.9) x 10^{-8}eV^2.Comment: Several minor corrections performed, sunspot anticorrelation discussed, references added, 29 pages including 8 figures in PostScrip

Proton-deuteron radiative capture cross sections at intermediate energies

Differential cross sections of the reaction $p(d,^3{\rm He})\gamma$ have been measured at deuteron laboratory energies of 110, 133 and 180 MeV. The data were obtained with a coincidence setup measuring both the outgoing $^3$He and the photon. The data are compared with modern calculations including all possible meson-exchange currents and two- and three- nucleon forces in the potential. The data clearly show a preference for one of the models, although the shape of the angular distribution cannot be reproduced by any of the presented models.Comment: 6 pages, 6 figures, accepted for publication in EPJ