Chemistry Add-In for Word

Poster presented at the VSMF Symposium held at the Unilever Centre on 2011-01-17The Chemistry Add-In for Word is an Open Source program that allows chemists to create, edit and manipulate chemistry (labels and 2D structures) in the Word environment. the on-screen representation is backed by semantic data in Chemical Markup Language (CML). Combined with domain-aware libraries we enable novel functionality in data checking during the authoring process, chemistry-centric article reading support and data-mining applications. [http://research.microsoft.com/chem4word/] [http://chem4word.codeplex.com/]The Chem4Word project was sponsored and supported by Microsoft External Research

Extracting and re-using research data from chemistry e-theses: the SPECTRa-T project

Scientific e-theses are data-rich resources, but much of the information they contain is not readily accessible. For chemistry, the SPECTRa-T project has addressed this problem by developing data-mining techniques to extract experimental data, creating RDF (Resource Description Framework) triples for exposure to sophisticated Semantic Web searches. We used OSCAR3, an Open Source chemistry text-mining tool, to parse and extract data from theses in PDF, and from theses in Office Open XML document format. Theses in PDF suffered data corruption and a loss of formatting that prevented the identification of chemical objects. Theses in .docx yielded semantically rich SciXML that enabled the additional extraction of associated data. Chemical objects were placed in a data repository, and RDF triples deposited in a triplestore. Data-mining from chemistry e-theses is both desirable and feasible; but the use of PDF, the de facto format standard for deposit in most repositories, prevents the optimal extraction of data for semantic querying. In order to facilitate this, we recommend that universities also require deposition of chemistry e-theses in an XML document format. Further work is required to clarify the complex IPR issues and ensure that they do not become an unwarranted barrier to data extraction and re-use

A semantic Grid for molecular science

Proceedings of the 2003 UK e-Science All Hands Meeting, 31st August - 3rd September, Nottingham UKThe properties of molecules have very well defined semantics and allow the creation of a semantic GRID. Markup languages (CML - Chemical Markup Language) and dictionary-based ontologies have been designed to support a wide range of applications, including chemical supply, publication and the safety of compounds. Many properties can be computed by Quantum Mechanical (QM) programs and we have developed a "black-box" system based on XML wrappers for all components. This is installed on a Condor system on which we have computed properties for 250, 000 compounds. The results of this will be available in an OpenData/OpenSource peer-to-peer (P2P) system (WorldWide Molecular Matrix - WWMM)

Dystrophin‐deficient mdx mice display a reduced life span and are susceptible to spontaneous rhabdomyosarcoma

Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/154288/1/fsb2fj067353com.pd

CALIBRATING DIVERGENCE TIMES ON SPECIES TREES VERSUS GENE TREES: IMPLICATIONS FOR SPECIATION HISTORY OF APHELOCOMA JAYS

Estimates of the timing of divergence are central to testing the underlying causes of speciation. Relaxed molecular clocks and fossil calibration have improved these estimates; however, these advances are implemented in the context of gene trees, which can overestimate divergence times. Here we couple recent innovations for dating speciation events with the analytical power of species trees, where multilocus data are considered in a coalescent context. Divergence times are estimated in the bird genus Aphelocoma to test whether speciation in these jays coincided with mountain uplift or glacial cycles. Gene trees and species trees show general agreement that diversification began in the Miocene amid mountain uplift. However, dates from the multilocus species tree are more recent, occurring predominately in the Pleistocene, consistent with theory that divergence times can be significantly overestimated with gene-tree based approaches that do not correct for genetic divergence that predates speciation. In addition to coalescent stochasticity, Haldane's rule could account for some differences in timing estimates between mitochondrial DNA and nuclear genes. By incorporating a fossil calibration applied to the species tree, in addition to the process of gene lineage coalescence, the present approach provides a more biologically realistic framework for dating speciation events, and hence for testing the links between diversification and specific biogeographic and geologic events.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/79292/1/j.1558-5646.2010.01097.x.pd

Surface Mining and Reclamation Effects on Flood Response of Watersheds in the Central Appalachian Plateau Region

Surface mining of coal and subsequent reclamation represent the dominant land use change in the central Appalachian Plateau (CAP) region of the United States. Hydrologic impacts of surface mining have been studied at the plot scale, but effects at broader scales have not been explored adequately. Broad-scale classification of reclaimed sites is difficult because standing vegetation makes them nearly indistinguishable from alternate land uses. We used a land cover data set that accurately maps surface mines for a 187-km2 watershed within the CAP. These land cover data, as well as plot-level data from within the watershed, are used with HSPF (Hydrologic Simulation Program-Fortran) to estimate changes in flood response as a function of increased mining. Results show that the rate at which flood magnitude increases due to increased mining is linear, with greater rates observed for less frequent return intervals. These findings indicate that mine reclamation leaves the landscape in a condition more similar to urban areas rather than does simple deforestation, and call into question the effectiveness of reclamation in terms of returning mined areas to the hydrological state that existed before mining

Capsular profiling of the Cronobacter genus and the association of specific Cronobacter sakazakii and C. malonaticus capsule types with neonatal meningitis and necrotizing enterocolitis

Background: Cronobacter sakazakii and C. malonaticus can cause serious diseases especially in infants where they are associated with rare but fatal neonatal infections such as meningitis and necrotising enterocolitis. Methods: This study used 104 whole genome sequenced strains, covering all seven species in the genus, to analyse capsule associated clusters of genes involved in the biosynthesis of the O-antigen, colanic acid, bacterial cellulose, enterobacterial common antigen (ECA), and a previously uncharacterised K-antigen. Results: Phylogeny of the gnd and galF genes flanking the O-antigen region enabled the defining of 38 subgroups which are potential serotypes. Two variants of the colanic acid synthesis gene cluster (CA1 and CA2) were found which differed with the absence of galE in CA2. Cellulose (bcs genes) were present in all species, but were absent in C. sakazakii sequence type (ST) 13 and clonal complex (CC) 100 strains. The ECA locus was found in all strains. The K-antigen capsular polysaccharide Region 1 (kpsEDCS) and Region 3 (kpsMT) genes were found in all Cronobacter strains. The highly variable Region 2 genes were assigned to 2 homology groups (K1 and K2). C. sakazakii and C. malonaticus isolates with capsular type [K2:CA2:Cell+] were associated with neonatal meningitis and necrotizing enterocolitis. Other capsular types were less associated with clinical infections. Conclusion: This study proposes a new capsular typing scheme which identifies a possible important virulence trait associated with severe neonatal infections. The various capsular polysaccharide structures warrant further investigation as they could be relevant to macrophage survival, desiccation resistance, environmental survival, and biofilm formation in the hospital environment, including neonatal enteral feeding tubes

Chandra HETGS Multi-Phase Spectroscopy of the Young Magnetic O Star theta^1 Orionis C

We report on four Chandra grating observations of the oblique magnetic rotator theta^1 Ori C (O5.5 V) covering a wide range of viewing angles with respect to the star's 1060 G dipole magnetic field. We employ line-width and centroid analyses to study the dynamics of the X-ray emitting plasma in the circumstellar environment, as well as line-ratio diagnostics to constrain the spatial location, and global spectral modeling to constrain the temperature distribution and abundances of the very hot plasma. We investigate these diagnostics as a function of viewing angle and analyze them in conjunction with new MHD simulations of the magnetically channeled wind shock mechanism on theta^1 Ori C. This model fits all the data surprisingly well, predicting the temperature, luminosity, and occultation of the X-ray emitting plasma with rotation phase.Comment: 52 pages, 14 figures (1 color), 6 tables. To appear in the Astrophysical Journal, 1 August 2005, v628, issue 2. New version corrects e-mail address, figure and table formatting problem

Heterotrophy mitigates the response of the temperate coral

Anthropogenic increases in atmospheric carbon dioxide concentration have caused global average sea surface temperature (SST) to increase by approximately 0.11°C per decade between 1971 and 2010 - a trend that is projected to continue through the 21st century. A multitude of research studies have demonstrated that increased SSTs compromise the coral holobiont (cnidarian host and its symbiotic algae) by reducing both host calcification and symbiont density, among other variables. However, we still do not fully understand the role of heterotrophy in the response of the coral holobiont to elevated temperature, particularly for temperate corals. Here, we conducted a pair of independent experiments to investigate the influence of heterotrophy on the response of the temperate scleractinian coral Oculina arbuscula to thermal stress. Colonies of O. arbuscula from Radio Island, North Carolina, were exposed to four feeding treatments (zero, low, moderate, and high concentrations of newly hatched Artemia sp. nauplii) across two independent temperature experiments (average annual SST (20°C) and average summer temperature (28°C) for the interval 2005-2012) to quantify the effects of heterotrophy on coral skeletal growth and symbiont density. Results suggest that heterotrophy mitigated both reduced skeletal growth and decreased symbiont density observed for unfed corals reared at 28°C. This study highlights the importance of heterotrophy in maintaining coral holobiont fitness under thermal stress and has important implications for the interpretation of coral response to climate change

Resilience and the End(s) of the Politics of Adaptation

This closing article focuses on the problematic of the politics of adaptation and suggests that resilience appears to be increasingly exhausted as a governmental or analytical framing. The article is in three sections. The first provides an overview of the problems facing adaptation today, especially where ‘top-down’ or ‘engineering’ approaches to resilience are considered to be artificial or ‘coercive’. The second section analyses alternative approaches to adaptation, from the bottom-up, often relying on the engagement of local communities, aided by the rolling out of ubiquitous computational technologies, like the Internet of Things. In closing, I suggest that resilience as a policy framework of adaptation appears to be drawing to a close as it lacks an adequate agential or transformative aspect: it is always too oriented to adapting to feedbacks and modulating around sustaining what exists