The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients.

We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the solute. A hierarchy of approximations for this model includes a linear approximation for weak electrostatic potentials, finite size of the mobile electrolyte ions, and a Stern-layer correction. Recasting the Poisson-Boltzmann equations into Euler-Lagrange equations then significantly simplifies the derivation of the free energy of solvation for these approximate models. The parameters of the model are either fit directly to experimental observables-e.g., the finite ion size-or optimized for agreement with experimental results. Experimental data for this optimization are available in the form of Sechenov coefficients that describe the linear dependence of the salting-out effect of solutes with respect to the electrolyte concentration. In the final part, we rationalize the qualitative disagreement of the finite ion size modification to the Poisson-Boltzmann model with experimental observations by taking into account the electrolyte concentration dependence of the Stern layer. A route toward a revised model that captures the experimental observations while including the finite ion size effects is then outlined. This implementation paves the way for the study of electrochemical and electrocatalytic processes of molecules and cluster models with accurate electronic structure methods

The NuSTAR Extragalactic Surveys: unveiling rare, buried AGNs and detecting the contributors to the peak of the Cosmic X-ray Background

We report on the results of active galactic nuclei (AGNs) detection by NuSTAR performed in three extragalactic survey fields (COSMOS, UDS, ECDFS) in three hard bands, namely H1 (8-16 keV), H2 (16-24 keV) and VH (35-55 keV). The aggregated area of the surveys is $\sim 2.7$ deg$^2$. While a large number of sources is detected in the H1 band (72 at the $97\%$ level of reliability), the H2 band directly probing close to the peak of the Cosmic X-ray Background (CXB) returns four significant detections, and two tentative, although not significant, detections are found in the VH band. All the sources detected above 16 keV are also detected at lower energies. We compute the integral number counts for sources in such bands, which show broad consistency with population synthesis models of the CXB. We furthermore identify two Compton-thick AGNs, one in the COSMOS field, associated with a hard and faint Chandra source, and one in the UDS field, never detected in the X-ray band before. Both sources are at the same redshift $z \sim 1.25$, which shifts their Compton-hump into the H1 band, and were previously missed in the usually employed NuSTAR bands, confirming the potential of using the H1 band to discover obscured AGNs at $z > 1$ in deep surveys.Comment: 12 pages, 5 figures, accepted for publication in The Astrophysical Journa

The Advanced Camera for Surveys General Catalog: Structural Parameters for Approximately Half A Million Galaxies

We present the Advanced Camera for Surveys General Catalog (ACS-GC), a photometric and morphological database using publicly available data obtained with the Advanced Camera for Surveys (ACS) instrument on the Hubble Space Telescope. The goal of the ACS-GC database is to provide a large statistical sample of galaxies with reliable structural and distance measurements to probe the evolution of galaxies over a wide range of look-back times. The ACS-GC includes approximately 470,000 astronomical sources (stars + galaxies) derived from the AEGIS, COSMOS, GEMS, and GOODS surveys. Galapagos was used to construct photometric (SEXTRACTOR) and morphological (GALFIT) catalogs. The analysis assumes a single Sersic model for each object to derive quantitative structural parameters. We include publicly available redshifts from the DEEP2, COMBO-17, TKRS, PEARS, ACES, CFHTLS, and zCOSMOS surveys to supply redshifts (spectroscopic and photometric) for a considerable fraction (similar to 74%) of the imaging sample. The ACS-GC includes color postage stamps, GALFIT residual images, and photometry, structural parameters, and redshifts combined into a single catalog.NASA/ESA GO-10134, GO-09822, GO-09425.01, GO-09583.01, GO-9500NASA NAS 5-26555NSF AST00-71048NASA LTSA NNG04GC89GESO Paranal Observatory LP175.A-0839Astronom

Interferometric Follow-Up of WISE Hyper-Luminous Hot, Dust-Obscured Galaxies

WISE has discovered an extraordinary population of hyper-luminous dusty galaxies which are faint in the two bluer passbands ($3.4\, \mu$m and $4.6\, \mu$m) but are bright in the two redder passbands of WISE ($12\, \mu$m and $22\, \mu$m). We report on initial follow-up observations of three of these hot, dust-obscured galaxies, or Hot DOGs, using the CARMA and SMA interferometer arrays at submm/mm wavelengths. We report continuum detections at $\sim$ 1.3 mm of two sources (WISE J014946.17+235014.5 and WISE J223810.20+265319.7, hereafter W0149+2350 and W2238+2653, respectively), and upper limits to CO line emission at 3 mm in the observed frame for two sources (W0149+2350 and WISE J181417.29+341224.8, hereafter W1814+3412). The 1.3 mm continuum images have a resolution of 1-2 arcsec and are consistent with single point sources. We estimate the masses of cold dust are 2.0$\times 10^{8} M_{\odot}$ for W0149+2350 and 3.9$\times 10^{8} M_{\odot}$ for W2238+2653, comparable to cold dust masses of luminous quasars. We obtain 2$\sigma$ upper limits to the molecular gas masses traced by CO, which are 3.3$\times 10^{10} M_{\odot}$ and 2.3$\times 10^{10} M_{\odot}$ for W0149+2350 and W1814+3412, respectively. We also present high-resolution, near-IR imaging with WFC3 on the Hubble Space Telescope for W0149+2653 and with NIRC2 on Keck for W2238+2653. The near-IR images show morphological structure dominated by a single, centrally condensed source with effective radius less than 4 kpc. No signs of gravitational lensing are evident.Comment: 13 pages, 3 figures. ApJ in pres

A Candidate Dual Active Galactic Nucleus At Z=1.175

The X-ray source CXOXBJ142607.6+353351 (CXOJ1426+35), which was identified in a 172 ks Chandra image in the Bootes field, shows double-peaked rest-frame optical/UV emission lines, separated by 0.''69 (5.5 kpc) in the spatial dimension and by 690 km s(-1) in the velocity dimension. The high excitation lines and emission line ratios indicate both systems are ionized by an active galactic nucleus (AGN) continuum, and the double-peaked profile resembles that of candidate dual AGNs. At a redshift of z = 1.175, this source is the highest redshift candidate dual AGN yet identified. However, many sources have similar emission line profiles for which other interpretations are favored. We have analyzed the substantial archival data available in this field as well as acquired near-infrared (NIR) adaptive optics (AO) imaging and NIR slit spectroscopy. The X-ray spectrum is hard, implying a column density of several 10(23) cm(-2). Though heavily obscured, the source is also one of the brightest in the field, with an absorption-corrected 2-10 keV luminosity of similar to 10(45) erg s(-1). Outflows driven by an accretion disk may produce the double-peaked lines if the central engine accretes near the Eddington limit. However, we may be seeing the narrow line regions of two AGNs following a galactic merger. While the AO image reveals only a single source, a second AGN would easily be obscured by the significant extinction inferred from the X-ray data. Understanding the physical processes producing the complex emission line profiles seen in CXOJ1426+35 and related sources is important for interpreting the growing population of dual AGN candidates.National Science Foundation AST-0708490Strategic University Research Partnership ProgramNational Aeronautics and Space AdministrationW. M. Keck FoundationSmithsonian Astrophysical Observatory SV4-74018, A31Astronom

Renormalizing Heavy Quark Effective Theory at O(1/m_Q^3)

We present a calculation of the renormalized HQET Lagrangian at order O(1/m_Q^3) in the one particle sector. The anomalous dimensions of local operators and time ordered products of dimension 7 contributing at this order are calculated in the one loop approximation. We show that a careful treatment of the time ordered products is necessary to arrive at a gauge independent renormalized lagrangian. Our result sets the stage for an investigation of reparametrization invariance at O(1/m_Q^3).Comment: Latex, epsfig. Improved teXnology and modified conclusions. The complete paper, including figures, is also available via anonymous ftp at ftp://ttpux2.physik.uni-karlsruhe.de/ , or via www at http://www-ttp.physik.uni-karlsruhe.de/cgi-bin/preprints

Fungal infections and antifungal prophylaxis in pediatric cardiac extracorporeal life support

ObjectiveInfections acquired by children during extracorporeal membrane oxygenation (ECMO) increase mortality. Our aim was to evaluate the effectiveness of prophylactic fluconazole on the incidence of fungal infections and to assess whether hospital-acquired fungal infection is associated with increased in-hospital mortality in pediatric cardiac patients requiring ECMO.MethodsWe retrospectively reviewed a prospectively maintained database and collected data on all hospital-acquired infections in patients supported for cardiac indications at a tertiary children’s hospital from 1989 to 2008.ResultsECMO was deployed 801 times in 767 patients. After exclusion criteria were applied, 261 pediatric patients supported for cardiac indications were studied. Fungal infection (blood, urine, or surgical site) occurred in 12% (31/261) of patients, 9 (7%) of 127 patients receiving fluconazole prophylaxis versus 22 (16.4%) of 134 without antifungal prophylaxis (P = .02). Using a multivariable logistic regression model, the absence of fluconazole prophylaxis was associated with an increased risk of fungal infection (odds ratio [OR] = 2.8; 95% confidence intervals [CI], 1.2, 6.7; P = .016). In a multivariable logistic regression model for in-hospital mortality, the presence of fungal infection was associated with increased odds (OR = 3.8; 95% CI, 1.5, 9.6; P = .005) of in-hospital mortality among cardiac patients requiring ECMO, and the absence of antifungal prophylaxis showed a trend toward the same (OR = 1.6; 95% CI, 0.96, 2.8; P = .072).ConclusionsChildren with cardiac disease supported with ECMO who acquire fungal infections have increased mortality. Routine fluconazole prophylaxis is associated with lower rates of fungal infections in these patients