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 $1.75\,$GHz from part of the ELAIS-S1 field using the Australia Telescope Compact Array. The resulting mosaic is $2.46\,$deg$^2$, with a roughly constant noise region of $0.61\,$deg$^2$ used for analysis. The image has a beam size of $150 \times60\,$arcsec and instrumental $\langle\sigma_{\rm n}\rangle= (52\pm5)\, \mu$Jy beam$^{-1}$. Using point-source models from the ATLAS survey, we subtract the discrete emission in this field for $S \ge 150\, \mu$Jy beam$^{-1}$. Comparison of the source-subtracted probability distribution, or \pd, with the predicted distribution from unsubtracted discrete emission and noise, yields an excess of $(76 \pm 23) \, \mu$Jy beam$^{-1}$. Taking this as an upper limit on any extended emission we constrain several models of extended source counts, assuming $\Omega_{\rm source} \le 2\,$arcmin. The best-fitting models yield temperatures of the radio background from extended emission of $T_{\rm b}=(10\pm7) \,$mK, giving an upper limit on the total temperature at $1.75\,$GHz of $(73\pm10)\,$mK. Further modelling shows that our data are inconsistent with the reported excess temperature of ARCADE2 to a source-count limit of $1\, \mu$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 $1.4\,$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