62,470 research outputs found
On the Electronic Spectroscopy of Closed Shell Cations Derived From Resonance Stabilized Radicals: Insights From Theory and Franck-Condon Analysis
Context. Recent attention has been directed on closed-shell aromatic cations as potential carriers of the diffuse interstellar bands. The spectra of mass-selected, matrix-isolated benzylium, and tropylium cations were recently reported. The visible spectrum of benzylium exhibits a large Franck-Condon (FC) envelope, inconsistent with diffuse interstellar band carriers.
Aims. We perform a computational analysis of the experimentally studied benzylium spectrum before extending the methods to a range of larger, closed-shell aromatic cations to determine the potential for this class of systems as diffuse interstellar band carriers.
Methods. Density functional theory (DFT), time-dependant ((TD)DFT), and multi-configurational self-consistent field second-order perturbation theory (MRPT2) methods in concert with multidimensional FC analysis is used to model the benzylium spectrum. These methods are extended to larger closed-shell aromatic hydrocarbon cations derived from resonance-stabilized radicals, which are predicted to show strong S0 → Sn transitions in the visible region. The ionization energies of a range of these systems are also calculated by DFT.
Results. The simulated benzylium spectrum was found to yield excellent agreement with the experimental spectrum showing an extended progression in a low frequency (510 cm-1) ring distortion mode. The FC progression was found to be significantly quenched in the larger species: 1-indanylium, 1-naphthylmethylium, and fluorenium. Excitation and ionization energies of the closed-shell cations were found to be consistent with diffuse interstellar band carriers, with the former lying in the visible range and the latter straddling the Lyman limit in the 13−14 eV range.
Conclusions. Large closed-shell polycyclic aromatic hydrocarbon cations remain viable candidate carriers of the diffuse interstellar bands
Augmented renal clearance is not a risk factor for mortality in Enterobacteriaceae bloodstream infections treated with appropriate empiric antimicrobials
The main objective of the study was to assess whether augmented renal clearance was a risk factor for mortality in a cohort of patients with Enterobacteriaceae sepsis, severe sepsis, or septic shock that all received appropriate antimicrobial therapy within 12 hours. Using a retrospective cohort from Barnes-Jewish Hospital, a 1,250-bed teaching hospital, we collected data on individuals with Enterobacteriaceae sepsis, severe sepsis, and septic shock who received appropriate initial antimicrobial therapy between June 2009 and December 2013. Clinical outcomes were compared according to renal clearance, as assessed by Modification of Diet in Renal Disease (MDRD) and Chronic Kidney Disease Epidemiology Collaboration (CKD-EPI) formulas, sepsis classification, demographics, severity of illness, and comorbidities. We identified 510 patients with Enterobacteriaceae bacteremia and sepsis, severe sepsis, or septic shock. Sixty-seven patients (13.1%) were nonsurvivors. Augmented renal clearance was uncommon (5.1% of patients by MDRD and 3.0% by CKD-EPI) and was not associated with increased mortality. Our results are limited by the absence of prospective determination of augmented renal clearance. However, in this small cohort, augmented renal clearance as assessed by MDRD and CKD-EPI does not seem to be a risk factor for mortality in patients with Enterobacteriaceae sepsis. Future studies should assess this finding prospectively
The Deep Diffuse Extragalactic Radio Sky at 1.75 GHz
We present a study of diffuse extragalactic radio emission at GHz
from part of the ELAIS-S1 field using the Australia Telescope Compact Array.
The resulting mosaic is deg, with a roughly constant noise region
of deg used for analysis. The image has a beam size of arcsec and instrumental Jy beam. Using point-source models from the ATLAS survey, we
subtract the discrete emission in this field for Jy
beam. Comparison of the source-subtracted probability distribution, or
\pd, with the predicted distribution from unsubtracted discrete emission and
noise, yields an excess of Jy beam. Taking this as
an upper limit on any extended emission we constrain several models of extended
source counts, assuming arcmin. The best-fitting
models yield temperatures of the radio background from extended emission of
mK, giving an upper limit on the total temperature at
GHz of mK. Further modelling shows that our data are
inconsistent with the reported excess temperature of ARCADE2 to a source-count
limit of Jy. Our new data close a loop-hole in the previous
constraints, because of the possibility of extended emission being resolved out
at higher resolution. Additionally, we look at a model of cluster halo emission
and two WIMP dark matter annihilation source-count models, and discuss general
constraints on any predicted counts from such sources. Finally, we report the
derived integral count at GHz using the deepest discrete count plus our
new extended-emission limits, providing numbers that can be used for planning
future ultra-deep surveys.Comment: 18 pages, 15 figures, 7 tables, Accepted by MNRA
Completion Report: Arkansas State Pesticides in Ground Water Monitoring Project Phase V: Vulnerable areas in Jackson, Monroe, Lawrence and Lonoke Counties
In 1996, sixty-seven water samples were drawn from 65 wells, including 62 new wells and 3 wells sampled previously . One Woodruff County well and two Pulaski County wells were resampled. Thirty-two samples were drawn from 30 wells in Monroe County (well #1 was sampled 3 times during this phase) . Ten wells in Jackson County, 12 wells in Lawrence County and 10 wells in Lonoke were also tested (Figures 1-5) . With the completion of Phase V, the number of wells tested has risen to 231 with a total of 258 samples analyzed . Initially, the wells were tested for 13 pesticides and ni~rate. Two more pesticides, aldicarb and carbofuran were added to the analyte list during Phase V. The analyte list is shown in Table 3 . All results from all the wells are listed in Appendix A. Quality control information for these data follow the results. The Phase V Quality Assurance Report is included in this document as Part II
Cold dark matter models with high baryon content
Recent results have suggested that the density of baryons in the Universe,
OmegaB, is much more uncertain than previously thought, and may be
significantly higher. We demonstrate that a higher OmegaB increases the
viability of critical-density cold dark matter (CDM) models. High baryon
fraction offers the twin benefits of boosting the first peak in the microwave
anisotropy power spectrum and of suppressing short-scale power in the matter
power spectrum. These enable viable CDM models to have a larger Hubble constant
than otherwise possible. We carry out a general exploration of high OmegaB CDM
models, varying the Hubble constant h and the spectral index n. We confront a
variety of observational constraints and discuss specific predictions. Although
some observational evidence may favour baryon fractions as high as 20 per cent,
we find that values around 10 to 15 per cent provide a reasonable fit to a wide
range of data. We suggest that models with OmegaB in this range, with h about
0.5 and n about 0.8, are currently the best critical-density CDM models.Comment: 14 pages, LaTeX, with 9 included figures, to appear in MNRAS. Revised
version includes updated references, some changes to section 4. Conclusions
unchange
Domain wall roughness in epitaxial ferroelectric PbZr0.2Ti0.8O3 thin films
The static configuration of ferroelectric domain walls was investigated using
atomic force microscopy on epitaxial PbZr0.2Ti0.8O3 thin films. Measurements of
domain wall roughness reveal a power law growth of the correlation function of
relative displacements B(L) ~ L^(2zeta) with zeta ~ 0.26 at short length scales
L, followed by an apparent saturation at large L. In the same films, the
dynamic exponent mu was found to be ~ 0.6 from independent measurements of
domain wall creep. These results give an effective domain wall dimensionality
of d=2.5, in good agreement with theoretical calculations for a two-dimensional
elastic interface in the presence of random-bond disorder and long range
dipolar interactions.Comment: 5 pages, 4 figure
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