Identifying metabolites from protein identifiers with P2M

The identification of metabolites from complex biological samples often involves matching experimental mass spectrometry data to signatures of compounds derived from massive chemical databases. However, misidentifications may result due to the complexity of potential chemical space that leads to databases containing compounds with nearly identical structures. Prior knowledge of compounds that may be enzymatically consumed or produced by an organism can help reduce misidentifications by restricting initial database searching to compounds that are likely to be present in a biological system. While databases such as UniProt allow for the identification of small molecules that may be consumed or generated by enzymes encoded in an organism's genome, currently no tool exists for identifying SMILES strings of metabolites associated with protein identifiers and expanding R-containing substructures to fully defined, biologically relevant chemical structures. Here we present Proteome2Metabolome (P2M), a tool that performs these tasks using external database querying behind a simple command line interface. Beyond mass spectrometry based applications, P2M can be generally used to identify biologically relevant chemical structures likely to be observed in a biological system

Pulsewidth dependence of ozone interference in the laser fluorescence measurement of OH in the atmosphere

By varying the pulsewidth of the output from two dye lasers, we have verified experimentally that the steady‐state interference level of OH due to laser‐induced dissociation of ozone decreases linearly with decreasing pulsewidth of the exciting radiation. At low pressures, further reduction in the interference level due to the transient nature of OH formation processes was also observed. These results should greatly facilitate measurements of OH concentrations in the atmosphere.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70170/2/JCPSA6-66-5-2118-1.pd

Lidar technology measurements and technology: Report of panel

Lidar is ready to make an important contribution to tropospheric chemistry research with a variety of spaceborne measurements that complement the measurements from passive instruments. Lidar can now be considered for near-term and far-term space missions dealing with a number of scientifically important issues in tropospheric chemistry. The evolution in the lidar missions from space are addressed and details of these missions are given. The laser availability for space missions based upon the technical data is assessed

Suspension High Velocity Oxy-Fuel (SHVOF)-sprayed alumina coatings: microstructure, nanoindentation and wear

Suspension High Velocity Oxy Fuel Spraying (SHVOF) can be used to produce thermally sprayed coatings from powdered feedstocks too small to be processed by mechanical feeders, allowing formation of nanostructured coatings with improved density and mechanical properties. Here, alumina coatings were produced from sub-micron sized feedstock in aqueous suspension, using two flame combustion parameters yielding contrasting microstructures. Both coatings were tested in dry sliding wear conditions with an alumina counterbody. The coating processed with high combustion power of 101 kW contained 74 wt% amorphous phase and 26 wt% crystalline phase (95 wt% gamma and 3 wt% alpha alumina) while the 72 kW coating contained lower 58 wt% amorphous phase and 42 wt% crystalline phases (73 wt% was alpha and 26 wt % gamma). The 101 kW coating had a dry sliding specific wear rate between 4-4.5 x 10-5 mm3/Nm, 2 orders of magnitude higher than the 72 kW coating wear rate of 2-4.2 x 10-7 mm3/Nm. A severe wear regime dominated by brittle fracture and grain pull out of the coating was responsible for the wear of the 101 kW coating, explained by mean fracture toughness three times lower than the 72 kW coating, owing to the almost complete absence of alpha alumina

Appropriate model use for predicting elevations and inundation extent for extreme flood events

Flood risk assessment is generally studied using flood simulation models; however, flood risk managers often simplify the computational process; this is called a “simplification strategy”. This study investigates the appropriateness of the “simplification strategy” when used as a flood risk assessment tool for areas prone to flash flooding. The 2004 Boscastle, UK, flash flood was selected as a case study. Three different model structures were considered in this study, including: (1) a shock-capturing model, (2) a regular ADI-type flood model and (3) a diffusion wave model, i.e. a zero-inertia approach. The key findings from this paper strongly suggest that applying the “simplification strategy” is only appropriate for flood simulations with a mild slope and over relatively smooth terrains, whereas in areas susceptible to flash flooding (i.e. steep catchments), following this strategy can lead to significantly erroneous predictions of the main parameters—particularly the peak water levels and the inundation extent. For flood risk assessment of urban areas, where the emergence of flash flooding is possible, it is shown to be necessary to incorporate shock-capturing algorithms in the solution procedure, since these algorithms prevent the formation of spurious oscillations and provide a more realistic simulation of the flood levels

Structure property relationship of suspension thermally sprayed WC-Co nanocomposite coatings.

Tribomechanical properties of nanostructured coatings deposited by suspension high velocity oxy-fuel (S-HVOF) and conventional HVOF (Jet Kote) spraying were evaluated. Nanostructured S-HVOF coatings were obtained via ball milling of the agglomerated and sintered WC-12Co feedstock powder, which were deposited via an aqueous-based suspension using modified HVOF (TopGun) process. Microstructural evaluations of these hardmetal coatings included transmission electron microscopy, x-ray diffraction, and scanning electron microscopy equipped with energy dispersive x-ray spectroscopy. The nanohardness and modulus of the coated specimens were investigated using a diamond Berkovich nanoindenter. Sliding wear tests were conducted using a ball-on-flat test rig. Results indicated that low porosity coatings with nanostructured features were obtained. High carbon loss was observed, but coatings showed a high hardness up to 1000 HV2.9N. S-HVOF coatings also showed improved sliding wear and friction behavior, which were attributed to nanosized particles reducing ball wear in three-body abrasion and support of metal matrix due to uniform distribution of nanoparticles in the coating microstructure