Thermal and high hydrostatic pressure inactivation of myrosinase from green cabbage: a kinetic study

Myrosinase, a family of enzymes which coexist with glucosinolates in all Brassica vegetables, catalyses the hydrolysis of glucosinolates to yield compounds that can have beneficial effects on human health. In this study, the thermal and pressure inactivation of myrosinase from green cabbage was kinetically investigated. Thermal inactivation started at 35 C and inactivation kinetics was studied in the temperature range 35–55 C. Thermal inactivation of green cabbage myrosinase followed the well known consecutive step model. Pressure inactivation started at 300 MPa, even at 10 C, and the consecutive step model effectively described pressure inactivation in the range 300–450 MPa at 10 C. The combined effects of applying various pressures and temperatures on myrosinase inactivation kinetics were studied in the ranges 35–50 C and, 100–400 MPa. The inactivation followed first-order kinetics at all of the applied combinations. This study demonstrates that myrosinase from green cabbage is highly susceptible to both thermal and high pressure processing. Furthermore, it is also noted that myrosinase stability during processing appears to vary widely between different Brassica species.

Tropical Cyclones in a hieararchy of climate models of increasing resolution

Tropical Cyclone (TC) is normally not studied at the individual level with Global Climate Models (GCMs), because the coarse grid spacing is often deemed insufficient for a realistic representation of the basic underlying processes. GCMs are indeed routinely deployed at low resolution, in order to enable sufficiently long integrations, which means that only large-scale TC proxies are diagnosed. A new class of GCMs is emerging, however, which is capable of simulating TC-type vortexes by retaining a horizontal resolution similar to that of operational NWP GCMs; their integration on the latest supercomputers enables the completion of long-term integrations. The UK-Japan Climate Collaboration and the UK-HiGEM projects have developed climate GCMs which can be run routinely for decades (with grid spacing of 60 km) or centuries (with grid spacing of 90 km); when coupled to the ocean GCM, a mesh of 1/3 degrees provides eddy-permitting resolution. The 90 km resolution model has been developed entirely by the UK-HiGEM consortium (together with its 1/3 degree ocean component); the 60 km atmospheric GCM has been developed by UJCC, in collaboration with the Met Office Hadley Centre.

Anisotropic films of polypyrrole formed electrochemically using a non-planar dopant

We report the electrochemical preparation of electrically conducting films based on polypyrrole, using 10-camphorsulfonate as the dopant, which exhibit a highly anisotropic molecular organisation. This contrasts with earlier reports, in which anisotropy appeared to be restricted to films prepared using aromatic-based planar dopants. Possible growth mechanisms for these materials to account for the molecular anisotropy are discussed.

High resolution Northern Hemisphere wintertime mid-latitude dynamics during the Last Glacial Maximum

Hourly winter weather of the Last Glacial Maximum (LGM) is simulated using the Community Climate Model version 3 (CCM3) on a globally resolved T170 (75 km) grid. Results are compared to a longer LGM climatological run with the same boundary conditions and monthly saves. Hourly-scale animations are used to enhance interpretations. The purpose of the study is to explore whether additional insights into ice age conditions can be gleaned by going beyond the standard employment of monthly average model statistics to infer ice age weather and climate. Results for both LGM runs indicate a decrease in North Atlantic and increase in North Pacific cyclogenesis. Storm trajectories react to the mechanical forcing of the Laurentide Ice Sheet, with Pacific storms tracking over middle Alaska and northern Canada, terminating in the Labrador Sea. This result is coincident with other model results in also showing a significant reduction in Greenland wintertime precipitation – a response supported by ice core evidence. Higher-temporal resolution puts in sharper focus the close tracking of Pacific storms along the west coast of North America. This response is consistent with increased poleward heat transport in the LGM climatological run and could help explain “early” glacial warming inferred in this region from proxy climate records. Additional analyses shows a large increase in central Asian surface gustiness that support observational inferences that upper-level winds associated with Asian- Pacific storms transported Asian dust to Greenland during the LGM.

Feasibility of using eye tracking to increase resolution for visual telepresence

Visual telepresence seeks to extend existing teleoperative capability by supplying the operator with a 3D interactive view of the remote environment. This is achieved through the use of a stereo camera platform which, through appropriate 3D display devices, provides a distinct image to each eye of the operator, and which is slaved directly from the operator's head and eye movements. However, the resolution within current head mounted displays remains poor, thereby reducing the operator's visual acuity. This paper reports on the feasibility of incorporation of eye tracking to increase resolution and investigates the stability and control issues for such a system. Continuous domain and discrete simulations are presented which indicates that eye tracking provides a stable feedback loop for tracking applications, though some empirical testing (currently being initiated) of such a system will be required to overcome indicated stability problems associated with micro saccades of the human operator.

Predicting metal-binding site residues in low-resolution structural models

The accurate prediction of the biochemical function of a protein is becoming increasingly important, given the unprecedented growth of both structural and sequence databanks. Consequently, computational methods are required to analyse such data in an automated manner to ensure genomes are annotated accurately. Protein structure prediction methods, for example, are capable of generating approximate structural models on a genome-wide scale. However, the detection of functionally important regions in such crude models, as well as structural genomics targets, remains an extremely important problem. The method described in the current study, MetSite, represents a fully automatic approach for the detection of metal-binding residue clusters applicable to protein models of moderate quality. The method involves using sequence profile information in combination with approximate structural data. Several neural network classifiers are shown to be able to distinguish metal sites from non-sites with a mean accuracy of 94.5%. The method was demonstrated to identify metal-binding sites correctly in LiveBench targets where no obvious metal-binding sequence motifs were detectable using InterPro. Accurate detection of metal sites was shown to be feasible for low-resolution predicted structures generated using mGenTHREADER where no side-chain information was available. High-scoring predictions were observed for a recently solved hypothetical protein from Haemophilus influenzae, indicating a putative metal-binding site.

Automatic prediction of functional site regions in low-resolution protein structures

World-wide structural genomics initiatives are rapidly accumulating structures for which limited functional information is available. Additionally, state-of-the art structural prediction programs are now capable of generating at least low resolution structural models of target proteins. Accurate detection and classification of functional sites within both solved and modelled protein structures therefore represents an important challenge. We present a fully automatic site detection method, FuncSite, that uses neural network classifiers to predict the location and type of functionally important sites in protein structures. The method is designed primarily to require only backbone residue positions without the need for specific side-chain atoms to be present. In order to highlight effective site detection in low resolution structural models FuncSite was used to screen model proteins generated using mGenTHREADER on a set of newly released structures. We found effective metal site detection even for moderate quality protein models illustrating the robustness of the method.

Kinetic multi-layer model of gas-particle interactions in aerosols and clouds (KM-GAP): linking condensation, evaporation and chemical reactions of organics, oxidants and water

We present a novel kinetic multi-layer model for gas-particle interactions in aerosols and clouds (KMGAP) that treats explicitly all steps of mass transport and chemical reaction of semi-volatile species partitioning between gas phase, particle surface and particle bulk. KMGAP is based on the PRA model framework (P¨oschl-Rudich- Ammann, 2007), and it includes gas phase diffusion, reversible adsorption, surface reactions, bulk diffusion and reaction, as well as condensation, evaporation and heat transfer. The size change of atmospheric particles and the temporal evolution and spatial profile of the concentration of individual chemical species can be modeled along with gas uptake and accommodation coefficients. Depending on the complexity of the investigated system and the computational constraints, unlimited numbers of semi-volatile species, chemical reactions, and physical processes can be treated, and the model shall help to bridge gaps in the understanding and quantification of multiphase chemistry and microphysics in atmospheric aerosols and clouds. In this study we demonstrate how KM-GAP can be used to analyze, interpret and design experimental investigations of changes in particle size and chemical composition in response to condensation, evaporation, and chemical reaction. For the condensational growth of water droplets, our kinetic model results provide a direct link between laboratory observations and molecular dynamic simulations, confirming that the accommodation coefficient of water at 270K is close to unity (Winkler et al., 2006). Literature data on the evaporation of dioctyl phthalate as a function of particle size and time can be reproduced, and the model results suggest that changes in the experimental conditions like aerosol particle concentration and chamber geometry may influence the evaporation kinetics and can be optimized for efficient probing of specific physical effects and parameters. With regard to oxidative aging of organic aerosol particles, we illustrate how the formation and evaporation of volatile reaction products like nonanal can cause a decrease in the size of oleic acid particles exposed to ozone.

Hydrochemical processes in lowland rivers: insights from in situ, high-resolution monitoring

This paper introduces new insights into the hydrochemical functioning of lowland river systems using field-based spectrophotometric and electrode technologies. The streamwater concentrations of nitrogen species and phosphorus fractions were measured at hourly intervals on a continuous basis at two contrasting sites on tributaries of the River Thames – one draining a rural catchment, the River Enborne, and one draining a more urban system, The Cut. The measurements complement those from an existing network of multi-parameter water quality sondes maintained across the Thames catchment and weekly monitoring based on grab samples. The results of the sub-daily monitoring show that streamwater phosphorus concentrations display highly complex dynamics under storm conditions dependent on the antecedent catchment wetness, and that diurnal phosphorus and nitrogen cycles occur under low flow conditions. The diurnal patterns highlight the dominance of sewage inputs in controlling the streamwater phosphorus and nitrogen concentrations at low flows, even at a distance of 7 km from the nearest sewage treatment works in the rural River Enborne. The time of sample collection is important when judging water quality against ecological thresholds or standards. An exhaustion of the supply of phosphorus from diffuse and multiple septic tank sources during storm events was evident and load estimation was not improved by sub-daily monitoring beyond that achieved by daily sampling because of the eventual reduction in the phosphorus mass entering the stream during events. The results highlight the utility of sub-daily water quality measurements and the discussion considers the practicalities and challenges of in situ, sub-daily monitoring.

A data assimilation method for using low-resolution Earth observation data in heterogeneous ecosystems

We present an approach for dealing with coarse-resolution Earth observations (EO) in terrestrial ecosystem data assimilation schemes. The use of coarse-scale observations in ecological data assimilation schemes is complicated by spatial heterogeneity and nonlinear processes in natural ecosystems. If these complications are not appropriately dealt with, then the data assimilation will produce biased results. The “disaggregation” approach that we describe in this paper combines frequent coarse-resolution observations with temporally sparse fine-resolution measurements. We demonstrate the approach using a demonstration data set based on measurements of an Arctic ecosystem. In this example, normalized difference vegetation index observations are assimilated into a “zero-order” model of leaf area index and carbon uptake. The disaggregation approach conserves key ecosystem characteristics regardless of the observation resolution and estimates the carbon uptake to within 1% of the demonstration data set “truth.” Assimilating the same data in the normal manner, but without the disaggregation approach, results in carbon uptake being underestimated by 58% at an observation resolution of 250 m. The disaggregation method allows the combination of multiresolution EO and improves in spatial resolution if observations are located on a grid that shifts from one observation time to the next. Additionally, the approach is not tied to a particular data assimilation scheme, model, or EO product and can cope with complex observation distributions, as it makes no implicit assumptions of normality.

Investigating global tropical cyclone activity with a hierarchy of AGCMs: the role of model resolution

The ability to run General Circulation Models (GCMs) at ever-higher horizontal resolutions has meant that tropical cyclone simulations are increasingly credible. A hierarchy of atmosphere-only GCMs, based on the Hadley Centre Global Environmental Model (HadGEM1), with horizontal resolution increasing from approximately 270km to 60km (at 50N), is used to systematically investigate the impact of spatial resolution on the simulation of global tropical cyclone activity, independent of model formulation. Tropical cyclones are extracted from ensemble simulations and reanalyses of comparable resolutions using a feature-tracking algorithm. Resolution is critical for simulating storm intensity and convergence to observed storm intensities is not achieved with the model hierarchy. Resolution is less critical for simulating the annual number of tropical cyclones and their geographical distribution, which are well captured at resolutions of 135km or higher, particularly for Northern Hemisphere basins. Simulating the interannual variability of storm occurrence requires resolutions of 100km or higher; however, the level of skill is basin dependent. Higher resolution GCMs are increasingly able to capture the interannual variability of the large-scale environmental conditions that contribute to tropical cyclogenesis. Different environmental factors contribute to the interannual variability of tropical cyclones in the different basins: in the North Atlantic basin the vertical wind shear, potential intensity and low-level absolute vorticity are dominant, while in the North Pacific basins mid-level relative humidity and low-level absolute vorticity are dominant. Model resolution is crucial for a realistic simulation of tropical cyclone behaviour, and high-resolution GCMs are found to be valuable tools for investigating the global location and frequency of tropical cyclones.

Automatic near real-time selection of flood water levels from high resolution Synthetic Aperture Radar images for assimilation into hydraulic models: a case study

Flood extents caused by fluvial floods in urban and rural areas may be predicted by hydraulic models. Assimilation may be used to correct the model state and improve the estimates of the model parameters or external forcing. One common observation assimilated is the water level at various points along the modelled reach. Distributed water levels may be estimated indirectly along the flood extents in Synthetic Aperture Radar (SAR) images by intersecting the extents with the floodplain topography. It is necessary to select a subset of levels for assimilation because adjacent levels along the flood extent will be strongly correlated. A method for selecting such a subset automatically and in near real-time is described, which would allow the SAR water levels to be used in a forecasting model. The method first selects candidate waterline points in flooded rural areas having low slope. The waterline levels and positions are corrected for the effects of double reflections between the water surface and emergent vegetation at the flood edge. Waterline points are also selected in flooded urban areas away from radar shadow and layover caused by buildings, with levels similar to those in adjacent rural areas. The resulting points are thinned to reduce spatial autocorrelation using a top-down clustering approach. The method was developed using a TerraSAR-X image from a particular case study involving urban and rural flooding. The waterline points extracted proved to be spatially uncorrelated, with levels reasonably similar to those determined manually from aerial photographs, and in good agreement with those of nearby gauges.