Thermal transport and chemical conversion in single reacting sorbent particles

The effects of particle size and carbon dioxide concentration on chemical conversion in engineered spherical particles undergoing calcium oxide looping are investigated. Particles are thermochemically cycled in a furnace under different carbon dioxide concentrations. Changes in composition due to chemical reactions are measured using thermogravimetric analysis. Gas composition at the furnace exit is evaluated with mass spectroscopy. A numerical model of thermal transport phenomena developed previously is adapted to match the physical system investigated in the present study. The model is used to elucidate effects of reacting medium characteristics on particle temperature and reaction extent. Experimental and numerical results show that (1) an increase in particle size results in a decrease in carbonation extent, and (2) the carbonation step consists of fast and slow reaction regimes. The reaction rates in the fast and slow carbonation regimes increase with increasing carbon dioxide concentration. The effect of carbon dioxide concentration and the distinction between the fast and slow regimes become more pronounced with increasing particle size.     

Prediction of sediment,particulate nutrient and dissolved nutrient concentrations in a dry tropical river to provide input to a mechanistic coastal water quality model

A Generalised Additive Modelling (GAM) approach is applied to prediction of both particulate and dissolved nutrient concentrations in a wet-tropical river (the Fitzroy River, Queensland, Australia). In addition to covariant terms considered in previous work (i.e. flow, discounted flow and a rising-falling limb term), we considered several new potential covariates: meteorological and hydrological variables that are routinely monitored, available in near-real time, and were considered to have potential predictive power. Of the additional terms considered, only flows from three tributaries of the Fitzroy River (namely, the Nogoa, Comet and Isaac Rivers) were found to significantly improve the model. Inclusion of one or more of these additional flow terms greatly improved results for dissolved nitrogen and dissolved phosphorus concentrations, which were not otherwise amenable to prediction. In particular, the Nogoa sub-catchment, dominated by pasture for cattle, was found to be important in determining dissolved inorganic nitrogen and phosphorus concentrations reaching the river mouth. This insight may direct further research, including future refinement of processed-based catchment models. The GAMs described here are used to provide near real-time river boundary conditions for a complex coupled hydrodynamic and biogeochemical model of the Great Barrier Reef Lagoon, and can be coupled with a forecasting hydrological model to allow integrated forecasting simulations of the catchment to coast system.     

Combined hardware–software multi-parallel prefiltering on the Convey HC-1 for fast homology detection

Protein databases used in research are huge and still grow at a fast pace. Many comparisons need to be done when searching similar (homologous) sequences for a given query sequence in these databases. Comparing a query sequence against all sequences of a huge database using the well-known Smith–Waterman algorithm is very time-consuming. Hidden Markov Models pose an opportunity for reducing the number of entries of a database and also enable to find distantly homologous sequences. Fewer entries are achieved by clustering similar sequences in a Hidden Markov Model. Such an approach is used by the bioinformatics tool HHblits. To further reduce the runtime, HHblits uses two-level prefiltering to reduce the number of time-consuming Viterbi comparisons. Still, prefiltering is very time-consuming. Highly parallel architectures and huge bandwidth are required for processing and transferring the massive amounts of data. In this article, we present an approach exploiting the reconfigurable, hybrid computer architecture Convey HC-1 for migrating the most time-consuming part. The Convey HC-1 with four FPGAs and high memory bandwidth of up to 76.8 GB/s serves as the platform of choice. Other bioinformatics applications have already been successfully supported by the HC-1. Limited by FPGA size only, we present a design that calculates four first-level prefiltering scores per FPGA concurrently, i.e. 16 calculations in total. This score calculation for the query profile against database sequences is done by a modified Smith–Waterman scheme that is internally parallelized 128 times in contrast to the original Streaming ‘Single Instruction Multiple Data (SIMD)’ Extensions (SSE)-supported implementation where only 16-fold parallelism can be exploited and where memory bandwidth poses the limiting factor. Preloading the query profile, we are able to transform the memory-bound implementation to a compute- and resource-bound FPGA design. We tightly integrated the FPGA-based coprocessor into the hybrid computing system by employing task-parallelism for the two-level prefiltering. Despite much lower clock rates, the FPGAs outperform SSE-based execution for the calculation of the prefiltering scores by a factor of 7.9.     

Cell-Free Synthesis of Selenoproteins in High Yield and Purity for Selective Protein Tagging

The selenol group of selenocysteine is much more nucleophilic than the thiol group of cysteine. Selenocysteine residues in proteins thus offer reactive points for rapid post-translational modification. Herein, we show that selenoproteins can be expressed in high yield and purity by cell-free protein synthesis by global substitution of cysteine by selenocysteine. Complete alkylation of solvent-exposed selenocysteine residues was achieved in 10 minutes with 4-chloromethylene dipicolinic acid (4Cl-MDPA) under conditions that left cysteine residues unchanged even after overnight incubation. Gd^III−Gd^III distances measured by double electron–electron resonance (DEER) experiments of maltose binding protein (MBP) containing two selenocysteine residues tagged with 4Cl-MDPA-Gd^III were indistinguishable from Gd^III−Gd^III distances measured of MBP containing cysteine reacted with 4Br-MDPA tags.     

Relationship between poles and zeros of input–output and chain-scattering systems

A system is frequently represented by transfer functions in an input–output characterization. However, such a system (under mild assumptions) can also be represented by transfer functions in a port characterization, frequently referred to as a chain-scattering representation. Due to its cascade properties, the chain-scattering representation is used throughout many fields of engineering. This paper studies the relationship between poles and zeros of input–output and chain-scattering representations of the same system.     

Object data MODEL = object-oriented + semantic models

The term ‘object-oriented database’ has been used to refer to different characteristics and mechanisms supported by semantic databases and (behaviorally) object-oriented ones. While this indicates the current confusion due to the lack of a common model, it also suggests the potential desirability of combining these two kinds of modeling facilities into the same nutshell. This paper summarizes from these two paradigms the features common to both, the features influenced/adopted by each other, and the features which are presented in one paradigm but missing from the other. After a brief analysis and discussion of these features, we conclude this paper by proposing our major theme: a complete object data model should take the union of the facilities offered by these two kinds of models.     

p,V, T and derived thermodynamic data for toluene,trichloromethane, dichloromethane,acetonitrile, aniline,and n-dodecane

Experimentally determined p,V,T data are reported for toluene, trichloromethane, dichloromethane, acetonitrile, aniline, and n-dodecane at 278, 288, 298, 313, and 323 K, except for dichloromethane, for which the highest temperature was 298 K. At each temperature, measurements were done at pressures up to about 280 MPa or (for aniline and n-dodecane) at a lower pressure slightly below the freezing pressure at the temperature of measurement. Values of the isobaric expansivity isothermal compressibility and (for toluene, trichloromethane, dichloromethane, and acetonitrile) internal pressure, derived from the p,V,T data, are presented.     

Molecular analysis of cellulose biosynthesis in Arabidopsis

Cellulose, an abundant, crystalline polysaccharide, is central to plant morphogenesis and to many industries. Chemical and ultrastructural analyses together with map-based cloning indicate that the RSW1 locus of Arabidopsis encodes the catalytic subunit of cellulose synthase. The cloned gene complements the rsw1 mutant whose temperature-sensitive allele is changed in one amino acid. The mutant allele causes a specific reduction in cellulose synthesis, accumulation of noncrystalline beta-1,4-glucan, disassembly of cellulose synthase, and widespread morphological abnormalities. Microfibril crystallization may require proper assembly of the RSW1 gene product into synthase complexes whereas glucan biosynthesis per se does not.     

Colour graphics and three-dimensional scene synthesis in image display

Recent advances in computer graphics have allowed the synthesis of realistic scenes consisting of surfaces and their coverings. This can be exploited in image displays, which provide a powerful way of gaining an appreciation of the spatial nature of scientific data. If data variables are represented by the naturally observed properties of realistic scenes, a better appreciation of the data can be attained. This paper shows how sophisticated colour graphics techniques can be incorporated within an image display system to produce realistic three-dimensional scenes. Examples of coloured surfaces representing geoscientific data are shown, and the value, in a graphics context, of the techniques developed for the display of image data is discussed.     

Control of a three-coleader formation in the plane

This paper considers a formation of three point agents moving in the plane, where the agents have a cyclic ordering with each one required to maintain a nominated distance from its neighbour; further, each agent is allowed to determine its movement strategy using local knowledge only of the direction of its neighbour, and the current and desired distance from its neighbour. The motion of the formation is studied when distances are initially incorrect. A convergence result is established, to the effect that provided agents never become collinear, the correct distances will be approached exponentially fast, and the formation as a whole will rotate by a finite angle and translate by a finite distance.