The Doubles Connected Moments Expansion: A Tractable Approximate Horn-Weinstein Approach for Quantum Chemistry

Ab initio methods based on the second-order and higher connected moments, or cumulants, of a reference function have seen limited use in the determination of correlation energies of chemical systems throughout the years. Moment-based methods have remained unattractive relative to more ubiquitous methods, such as perturbation theory and coupled cluster theory, due in part to the intractable cost of assembling moments of high-order and poor performance of low-order expansions. Many of the traditional quantum chemical methodologies can be recast as a selective summation of perturbative contributions to their energy; using this familiar structure as a guide in selecting terms, we develop a scheme to approximate connected moments limited to double excitations. The tractable Double Connected Moments (DCM(N)) approximation is developed and tested against a multitude of common single-reference methods to determine its efficacy in the determination of the correlation energy of model systems and small molecules. The DCM(N) sequence of energies exhibits smooth convergence, with compute costs that scale as a non-iterative O(N^6) with molecule size, M. Numerical tests on correlation energy recovery for 55 small molecules comprising the G1 test set in the cc-pVDZ basis show that DCM(N) strongly outperforms MP2 and even CCD with a Hartree-Fock reference. When using an approximate Brueckner reference from orbital-optimized (oo) MP2, the resulting oo:DCM(N) energies converge to values more accurate than CCSD for 49 of 55 molecules

An X-ray Selected Galaxy Cluster at z=1.11 in the Rosat Deep Cluster Survey

We report the discovery of an X-ray luminous galaxy cluster at z =1.11. RDCS J0910+5422 was selected as an X-ray cluster candidate in the ROSAT Deep Cluster Survey on the basis of its spatial extent in a Rosat PSPC image. Deep optical and near-IR imaging reveal a red galaxy overdensity around the peak of the X-ray emission, with a significant excess of objects with J-K and I-K colors typical of elliptical galaxies at z ~ 1.0. Spectroscopic observations at the Keck II telescope secured 9 galaxy redshifts in the range 1.095<z<1.120 yielding a mean cluster redshift of =1.106. Eight of these galaxies lie within a 30 arcsec radius around the peak X-ray emission. A deep Chandra ACIS exposure on this field shows extended X-ray morphology and allows the X-ray spectrum of the intracluster medium to be measured. The cluster has a bolometric luminosity L_x = 2.48^{+0.33}_{-0.26} x 10^44 ergs/s, a temperature of kT = 7.2^{+2.2}_{-1.4} keV, and a mass within r = 1 Mpc of 7.0 x 10^14 M_sun (H_0=65 km/s/Mpc, Omega_m = 0.3, and Lambda = 0.7). The spatial distribution of the cluster members is elongated, which is not due to an observational selection effect, and followed by the X-ray morphology. The X-ray surface brightness profile and the spectrophotometric properties of the cluster members suggest that this is an example of a massive cluster in an advanced stage of formation with a hot ICM and an old galaxy population already in place at z > 1.Comment: 19 pages, 7 figures: Figures 1,4,6 included as separate jpg files. Accepted for publication in The Astronomical Journa

Measuring N2 Pressure Using Cyanobacteria Discipline: Geomicrobiology

The evolution of Earth's atmosphere has been governed by biological evolution. Dinitrogen (N2) has been a major constituent of Earth's atmosphere throughout the planet's history, yet only a few constraints exist for the partial pressure of N2 (pN2). In this study we evaluate two new potential proxies for pN2: the physical spacing between heterocysts and the isotopic signature of nitrogen fixation in filamentous cyanobacteria. Heterocyst-forming filamentous cyanobacteria are some of the oldest photosynthetic microorganisms on Earth, and debated fossilized specimens have been found in sedimentary rocks as old as 2 Ga. These organisms overcome nitrogen limitation in their aqueous environment through cellular differentiation along their filaments. The specialized cells that develop, known as heterocysts, fix the nitrogen and laterally distribute it to neighboring cells along the filaments. Because the concentration of the dissolved N2 available to the filaments correlates directly with pN2, any preservable physiological response of the organism to the changed N2 availability constitutes a potential proxy for pN2. In the laboratory, we have examined how pN2 is reflected in the heterocyst spacing pattern and in the isotopic signature of nitrogen fixation by subjecting the representative species Anabaena cylindrica and Anabaena variabilis to different N2 partial pressures during growth at constant temperature and lighting (in media free of combined nitrogen). We show experimentally that the distance between heterocysts and the nitrogen isotope fractionation measured in bulk biomass reflect the pN2 experienced by Anabaena cylindrica. Current work is investigating these responses in Anabaena variabilis. When heterocystous cyanobacteria fossilize, these morphological and isotopic signatures should preserve information about pN2 at that time. Application of this relationship to the rock record may provide a paleoproxy to complement the two existing geobarometers

From Algae to Angiosperms – Inferring the Phylogeny of Green Plants ( Viridiplantae ) from 360 Plastid Genomes

Background Next-generation sequencing has provided a wealth of plastid genome sequence data from an increasingly diverse set of green plants (Viridiplantae). Although these data have helped resolve the phylogeny of numerous clades (e.g., green algae, angiosperms, and gymnosperms), their utility for inferring relationships across all green plants is uncertain. Viridiplantae originated 700-1500 million years ago and may comprise as many as 500,000 species. This clade represents a major source of photosynthetic carbon and contains an immense diversity of life forms, including some of the smallest and largest eukaryotes. Here we explore the limits and challenges of inferring a comprehensive green plant phylogeny from available complete or nearly complete plastid genome sequence data. Results We assembled protein-coding sequence data for 78 genes from 360 diverse green plant taxa with complete or nearly complete plastid genome sequences available from GenBank. Phylogenetic analyses of the plastid data recovered well-supported backbone relationships and strong support for relationships that were not observed in previous analyses of major subclades within Viridiplantae. However, there also is evidence of systematic error in some analyses. In several instances we obtained strongly supported but conflicting topologies from analyses of nucleotides versus amino acid characters, and the considerable variation in GC content among lineages and within single genomes affected the phylogenetic placement of several taxa. Conclusions Analyses of the plastid sequence data recovered a strongly supported framework of relationships for green plants. This framework includes: i) the placement of Zygnematophyceace as sister to land plants (Embryophyta), ii) a clade of extant gymnosperms (Acrogymnospermae) with cycads + Ginkgo sister to remaining extant gymnosperms and with gnetophytes (Gnetophyta) sister to non-Pinaceae conifers (Gnecup trees), and iii) within the monilophyte clade (Monilophyta), Equisetales + Psilotales are sister to Marattiales + leptosporangiate ferns. Our analyses also highlight the challenges of using plastid genome sequences in deep-level phylogenomic analyses, and we provide suggestions for future analyses that will likely incorporate plastid genome sequence data for thousands of species. We particularly emphasize the importance of exploring the effects of different partitioning and character coding strategies. http://www.biomedcentral.com/1471-2148/14/2

Ariel - Volume 9 Number 1

Executive Editor Emily Wofford Business Manager Fredric Jay Matlin University News John Patrick Welch World News George Robert Coar Editorial Editor Steve Levine Feature Brad Feldstein Mark Rubin Graphics Steve Hulkower Photo Rick Spaide Circulation Lee Wugofsk

Safety benefits of stability control systems for tractor- semitrailers

This study was conducted by the University of Michigan Transportation Research Institute (UMTRI) under a Cooperative Agreement between NHTSA and Meritor WABCO to examine the performance of electronic stability control (ESC) systems, and roll stability control (RSC) systems for heavy-truck tractor-semitrailers. The study is based on the analysis of independent crash datasets using engineering and statistical techniques to estimate the probable safety benefits of stability control technologies for 5-axle tractor-semitrailer vehicles. The conventional approach for assessing the safety benefits of vehicle technologies is to analyze crash datasets containing data on the safety performance of vehicles equipped with the technology of interest. Because the deployment of the stability technologies for large trucks is in its infancy, national crash databases do not yet have a sufficient amount of factual data that can be directly linked to the performance of the technology. Therefore a novel method of examining the potential benefits of these systems was used. Crash scenarios that could likely benefit from the technologies were selected from national crash databases and the probable effectiveness of each technology was estimated. The analysis in this study did not have the advantage of examining representative crash datasets that contain identifiable data from vehicles equipped with the technology. Therefore, the analysis was based on probable outcome estimates derived from hardware-in-the-loop simulation, field test experience, expert panel assessment, and fleet crash data and these methods were used to estimate the safety benefits from the national crash data population.National Highway Traffic Safety Administration, Office of Applied Vehicle Safety Researchhttp://deepblue.lib.umich.edu/bitstream/2027.42/64283/1/102397.pd

Simulating the effect of perennialized cropping systems on nitrate-N losses using the SWAT model

Several newly released crop varieties, including the perennial intermediate wheatgrass (grain marketed as Kernza®), and the winter hardy oilseed crop camelina, have been developed to provide both economic return for farmers and reduced nutrient losses from agricultural fields. Though studies have indicated that these crops could reduce nitrate-nitrogen (N) leaching, little research has been done to determine their effectiveness in reducing nitrate-N loading to surface waters at a watershed scale, or in comparing their performance to more traditional perennial crops, such as alfalfa. In this study, nitrate-N losses were predicted using the Soil and Water Assessment Tool (SWAT) model for the Rogers Creek watershed located in south-central Minnesota, USA. Predicted looses of nitrate-N under three perennialized cropping systems were compared to losses given current cropping practices in a corn (Zea mays L.)-soybean (Glycine max L. Merr.) rotation. The perennialized systems included three separate crop rotations: intermediate wheatgrass (IWG) in rotation with soybean, alfalfa in rotation with corn, and winter camelina in rotation with soybean and winter rye. Model simulation of these rotations required creation of new crop files for IWG and winter camelina within SWAT. These new crop files were validated using measured yield, biomass, and nitrate-N data. Model results show that the IWG and alfalfa rotations were particularly effective at reducing nutrient and sediment losses from agricultural areas in the watershed, but smaller reductions were also achieved with the winter camelina rotation. From model predictions, achieving regional water-quality goals of a 30% reduction in nitrate-N load from fields in the watershed required converting approximately 25, 34, or 57% of current corn-soybean area to the alfalfa, IWG, or camelina rotations, respectively. Results of this study indicate that adoption of these crops could achieve regional water quality goals

The lifelong impact of fetal growth restriction on cardiac development

Background: Maternal nutrient restriction (MNR) is a widespread cause of fetal growth restriction (FGR), an independent predictor of heart disease and cardiovascular mortality. Our objective was to examine the developmental and long-term impact of MNR-induced FGR on cardiac structure in a model that closely mimics human development. Methods: A reduction in total caloric intake spanning pregestation through to lactation in guinea pig sows was used to induce FGR. Proliferation, differentiation, and apoptosis of cardiomyocytes were assessed in late-gestation fetal, neonatal, and adult guinea pig hearts. Proteomic analysis and pathway enrichment were performed on fetal hearts. Results: Cardiomyocyte proliferation and the number of mononucleated cells were enhanced in the MNR–FGR fetal and neonatal heart, suggesting a delay in cardiomyocyte differentiation. In fetal hearts of MNR–FGR animals, apoptosis was markedly elevated and the total number of cardiomyocytes reduced, the latter remaining so throughout neonatal and into adult life. A reduction in total cardiomyocyte number in adult MNR–FGR hearts was accompanied by exaggerated hypertrophy and a disorganized architecture. Pathway analysis identified genes related to cell proliferation, differentiation, and survival. Conclusions: FGR influences cardiomyocyte development during critical windows of development, leading to a permanent deficiency in cardiomyocyte number and compensatory hypertrophy in a rodent model that recapitulates human development