Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics.

Novel metabolites distinct from canonical pathways can be identified through the integration of three cheminformatics tools: BinVestigate, which queries the BinBase gas chromatography-mass spectrometry (GC-MS) metabolome database to match unknowns with biological metadata across over 110,000 samples; MS-DIAL 2.0, a software tool for chromatographic deconvolution of high-resolution GC-MS or liquid chromatography-mass spectrometry (LC-MS); and MS-FINDER 2.0, a structure-elucidation program that uses a combination of 14 metabolome databases in addition to an enzyme promiscuity library. We showcase our workflow by annotating N-methyl-uridine monophosphate (UMP), lysomonogalactosyl-monopalmitin, N-methylalanine, and two propofol derivatives

Estimated refractive index and solid density of DT, with application to hollow-microsphere laser targets

The literature values for the 0.55-$mu$m refractive index N of liquid and gaseous H$sub 2$ and D$sub 2$ are combined to yield the equation (N - 1) = [(3.15 +- 0.12) x 10$sup -6$]rho, where rho is the density in moles per cubic meter. This equation can be extrapolated to 300$sup 0$K for use on DT in solid, liquid, and gas phases. The equation is based on a review of solid-hydrogen densities measured in bulk and also by diffraction methods. By extrapolation, the estimated densities and 0.55-$mu$m refractive indices for DT are given. Radiation-induced point defects could possibly cause optical absorption and a resulting increased refractive index in solid DT and T$sub 2$. The effect of the DT refractive index in measuring glass and cryogenic DT laser targets is also described. (auth

New results on GP Com

We present high resolution optical and UV spectra of the 46 min orbital period, helium binary, GP Com. Our data contains simultaneous photometric correction which confirms the flaring behaviour observed in previous optical and UV data. In this system all lines show a triple peaked structure where the outer two peaks are associated with the accretion disc around the compact object. The main aim of this paper is to constrain the origin of the central peak, also called ``central spike''. We find that the central spike contributes to the flare spectra indicating that its origin is probably the compact object. We also detect that the central spike moves with orbital phase following an S-wave pattern. The radial velocity semiamplitude of the S-wave is ~10 km/s indicating that its origin is near the centre of mass of the system, which in this case lies very close to the white dwarf. Our resolution is higher than that of previous data which allows us to resolve structure in the central peak of the line. The central spike in three of the HeI lines shows another peak blueshifted with respect to the main peak. We propose that one of the peaks is a neutral helium forbidden transition excited in a high electron density region. This forbidden transition is associated with the permitted one (the stronger peak in two of the lines). The presence of a high electron density region again favours the white dwarf as their origin.Comment: 14 pages, 16 figures. Accepted for publication in A&

Stability and Evolution of Supernova Fallback Disks

We show that thin accretion disks made of Carbon or Oxygen are subject to the same thermal ionization instability as Hydrogen and Helium disks. We argue that the instability applies to disks of any metal content. The relevance of the instability to supernova fallback disks probably means that their power-law evolution breaks down when they first become neutral. We construct simple analytical models for the viscous evolution of fallback disks to show that it is possible for these disks to become neutral when they are still young (ages of a few 10^3 to 10^4 years), compact in size (a few 10^9 cm to 10^11 cm) and generally accreting at sub-Eddington rates (Mdot ~ a few 10^14 - 10^18 g/s). Based on recent results on the nature of viscosity in the disks of close binaries, we argue that this time may also correspond to the end of the disk activity period. Indeed, in the absence of a significant source of viscosity in the neutral phase, the entire disk will likely turn to dust and become passive. We discuss various applications of the evolutionary model, including anomalous X-ray pulsars and young radio pulsars. Our analysis indicates that metal-rich fallback disks around newly-born neutron stars and black holes become neutral generally inside the tidal truncation radius (Roche limit) for planets, at \~10^11 cm. Consequently, the efficiency of the planetary formation process in this context will mostly depend on the ability of the resulting disk of rocks to spread via collisions beyond the Roche limit. It appears easier for the merger product of a doubly degenerate binary, whether it is a massive white dwarf or a neutron star, to harbor planets because it can spread beyond the Roche limit before becoming neutral.[Abridged]Comment: 34 pages, 2 figures, accepted for publication in Ap

Low-latitude equinoctial spread-F occurrence at different longitude sectors under low solar activity

We present the results of a comparative study of spread-F signatures over five low-latitude sites: Chiangmai (CGM; 18.8° N, 98.9° E, mag. Lat. 8.8° N), Thailand; Tanjungsari (TNJ; 6.9° S, 107.6° E, mag. Lat. 16.9° S), Indonesia; Palmas (PAL; 10.2° S, 311.8° E, mag. Lat. 0.9° S) and São José Dos Campos (SJC; 23.2° S, 314.1° E, mag. Lat. 14.0° S), Brazil; and Tucumán (TUC; 26.9° S, 294.6° E, mag. Lat. 16.8° S), Argentina. The investigation was based on simultaneous ionograms recorded by an FMCW (frequency-modulated continuous-wave) at CGM, an IPS-71 (digital ionosonde from KEL aerospace) at TNJ, a CADI (Canadian Advanced Digital Ionosonde) at PAL and SJC, and an AIS-INGV (Advanced Ionospheric Sounder – Istituto Nazionale di Geofisica e Vulcanologia) at TUC, during the equinoctial periods March–April (R12 = 2.0 and R12 = 2.2) and September–October (R12 = 6.1 and R12 = 7.0) 2009, for very low solar activity. Spread-F signatures were categorized into two types: the range spread-F (RSF) and the frequency spread-F (FSF). The study confirms that the dynamics and the physical processes responsible for these phenomena are actually complicated. In fact, the features that arise from the investigation are different, depending on both the longitude sector and on the hemisphere. For instance, TUC, under the southern crest of the ionospheric equatorial ionization anomaly (EIA), shows a predominance of RSF signatures, while both SJC, under the southern crest of EIA but in a different longitude sector, and CGM, under the northern crest of EIA, show a predominance of FSF signatures. Moreover, the spread-F occurrence over the longitude sector that includes CGM and TNJ is significantly lower than the spread-F occurrence over the longitude sector of PAL, SJC, and TUC.Fil: Pezzopane, M.. Istituto Nazionale Di Geofisica E Vulcanologia; Italia;Fil: Zuccheretti, E.. Istituto Nazionale Di Geofisica E Vulcanologia; Italia;Fil: Abadi, P.. Indonesian National Institute of Aeronautics and Space. Space Science Center. Division of Ionosphere and Telecommunication; Indonesia;Fil: de Abreu, A. J.. Universidade do Vale do Paraíba; Brazil;Fil: de Jesus, R.. Universidade do Vale do Paraíba; Brazil;Fil: Fagundes, P. R.. Universidade do Vale do Paraíba; Brazil;Fil: Supnithi, P.. King Mongkut’s Institute of Technology Ladkrabang . Faculty of Engineering; Tailandia;Fil: Rungraengwajiake, S.. King Mongkut’s Institute of Technology Ladkrabang . Faculty of Engineering; Tailandia;Fil: Nagatsuma, T.. National Institute of Information and Communications Technology. Space Weather and Environment Informatics Laboratory; Japón;Fil: Tsugawa, T.. National Institute of Information and Communications Technology. Space Weather and Environment Informatics Laboratory; Japón;Fil: Cabrera, Miguel Angel. Universidad Nacional de Tucumán. Facultad de Ciencias Exactas y Tecnología. Departamento de Física. Laboratorio de Ionosfera; Argentina; Universidad Nacional de Tucumán. Facultad de Ciencias Exactas y Tecnología. Departamento de Electricidad, Electrónica y Computación. Laboratorio de Telecomunicaciones; Argentina; Universidad Tecnológica Nacional. Facultad Regional Tucumán. Centro de Investigación de Atmósfera Superior y Radiopropagación; Argentina;Fil: Ezquer, Rodolfo Gerardo. Universidad Tecnológica Nacional. Facultad Regional Tucumán. Centro de Investigación de Atmósfera Superior y Radiopropagación; Argentina; Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina; Universidad Nacional de Tucumán. Facultad de Ciencias Exactas y Tecnología. Departamento de Física. Laboratorio de Ionosfera; Argentina

Generation and quality control of lipidomics data for the alzheimers disease neuroimaging initiative cohort.

Alzheimers disease (AD) is a major public health priority with a large socioeconomic burden and complex etiology. The Alzheimer Disease Metabolomics Consortium (ADMC) and the Alzheimer Disease Neuroimaging Initiative (ADNI) aim to gain new biological insights in the disease etiology. We report here an untargeted lipidomics of serum specimens of 806 subjects within the ADNI1 cohort (188 AD, 392 mild cognitive impairment and 226 cognitively normal subjects) along with 83 quality control samples. Lipids were detected and measured using an ultra-high-performance liquid chromatography quadruple/time-of-flight mass spectrometry (UHPLC-QTOF MS) instrument operated in both negative and positive electrospray ionization modes. The dataset includes a total 513 unique lipid species out of which 341 are known lipids. For over 95% of the detected lipids, a relative standard deviation of better than 20% was achieved in the quality control samples, indicating high technical reproducibility. Association modeling of this dataset and available clinical, metabolomics and drug-use data will provide novel insights into the AD etiology. These datasets are available at the ADNI repository at http://adni.loni.usc.edu/

The AM Canum Venaticorum binary SDSS J173047.59+554518.5

The AM Canum Venaticorum (AM CVn) binaries are a rare group of hydrogen-deficient, ultrashort period, mass-transferring white dwarf binaries and are possible progenitors of Type Ia supernovae. We present time-resolved spectroscopy of the recently discovered AM CVn binary SDSS J173047.59+554518.5. The average spectrum shows strong double-peaked helium emission lines, as well as a variety of metal lines, including neon; this is the second detection of neon in an AM CVn binary, after the much brighter system GP Com. We detect no calcium in the accretion disc, a puzzling feature that has been noted in many of the longer period AM CVn binaries. We measure an orbital period, from the radial velocities of the emission lines, of 35.2 ± 0.2 min, confirming the ultracompact binary nature of the system. The emission lines seen in SDSS J1730 are very narrow, although double-peaked, implying a low-inclination, face-on accretion disc; using the measured velocities of the line peaks, we estimate i ≤ 11°. This low inclination makes SDSS J1730 an excellent system for the identification of emission lines