Dividing the large glycoside hydrolase family 13 into subfamilies: towards improved functional annotations of alpha-amylase-related proteins

Family GH13, also known as the alpha-amylase family, is the largest sequence-based family of glycoside hydrolases and groups together a number of different enzyme activities and substrate specificities acting on alpha-glycosidic bonds. This polyspecificity results in the fact that the simple membership of this family cannot be used for the prediction of gene function based on sequence alone. In order to establish robust groups that show an improved correlation between sequence and enzymatic specificity, we have performed a large-scale analysis of 1691 family GH13 sequences by combining clustering, similarity search and phylogenetic methods. About 80% of the sequences could be reliably classified into 35 subfamilies. Most subfamilies appear monofunctional (i.e. contain enzymes with the same substrate and the same product). The close examination of the other, apparently polyspecific, subfamilies revealed that they actually group together enzymes with strongly related (or even sometimes virtually identical) activities. Overall our subfamily assignment allows to set the limits for genomic function prediction on this large family of biologically and industrially important enzymes.     

Investigating driving behaviour of older drivers with mild cognitive impairment using a portable driving simulator

While there is a large body of research indicating that individuals with moderate to severe dementia are unfit to drive, relatively little is known about the driving performance of older drivers with mild cognitive impairment (MCI). The aim of the current study was to examine the driving performance of older drivers with MCI on approach to intersections, and to investigate how their healthy counterparts perform on the same driving tasks using a portable driving simulator. Fourteen drivers with MCI and 14 age-matched healthy older drivers (aged 65–87 years) completed a 10-min simulator drive in an urban environment. The simulator drive consisted of stop-sign controlled and signal-controlled intersections. Drivers were required to stop at the stop-sign controlled intersections and to decide whether or not to proceed through a critical light change at the signal-controlled intersections. The specific performance measures included; approach speed, number of brake applications on approach to the intersection (either excessive or minimal), failure to comply with stop signs, and slower braking response times on approach to a critical light change. MCI patients in our sample performed more poorly than controls across a number of variables. However, because the trends failed to reach statistical significance it will be important to replicate the study using a larger sample to qualify whether the results can be generalised to the broader population.     

Explicit model of photovoltaic panels to determine voltages and currents at the maximum power point

A simple explicit photovoltaic formulation for characterizing and dimensioning cell-arrays is presented. The method permits the short-circuit current, the open-circuit voltage, the maximum cell power and the optimum cell-operation conditions to be determined. Further, the model also allows quantifying the effects of panel temperature and solar irradiance on key cell parameters. Based on several datasheets, the methodology is validated by covering a wide range of operation conditions. The proposed approach can thus, be very useful for design engineers to quickly and easily determine the performance of any photovoltaic array without performing tedious numerical calculations.     

Atomic scale investigation of radiation-induced segregation in austenitic stainless steels

Radiation-induced precipitation and segregation in a cold-worked 316 austenitic stainless steel irradiated with 10 MeV Fe⁵⁺ ions were characterized by atom probe tomography. Ni and Si enrichment and Cr depletion were observed in roughly spherical and torus-shaped clusters, believed to be due to solute enrichment and depletion at dislocation loops. Solute segregation was also observed at network dislocations. These observations are consistent with the phenomenon of radiation-induced segregation. Radiation-induced segregation at grain boundaries was also studied at the near atomic scale. Comparison of these observations with results from the literature shows a difference in the magnitude of the peak concentration of segregated solutes.     

Heat-Transfer Measurements in the Primary Cooling Phase of the Direct-Chill Casting Process

Thermal modeling of the direct-chill casting process requires accurate knowledge of (1) the different boundary conditions in the primary mold and secondary direct water-spray cooling regimes and (2) their variability with respect to process parameters. In this study, heat transfer in the primary cooling zone was investigated by using temperature measurements made with subsurface thermocouples in the mold as input to an inverse heat conduction algorithm. Laboratory-scale experiments were performed to investigate the primary cooling of AA3003 and AA4045 aluminum alloy ingots cast at speeds ranging between 1.58 and 2.10 mm/s. The average heat flux values were calculated for the steady-state phase of the casting process, and an effective heat-transfer coefficient for the global primary cooling process was derived that included convection at the mold surfaces and conduction through the mold wall. Effective heat-transfer coefficients were evaluated at different points along the mold height and compared with values from a previously derived computational fluid dynamics model of the direct-chill casting process that were based on predictions of the air gap thickness between the mold and ingot. The current experimental results closely matched the values previously predicted by the air gap models. The effective heat-transfer coefficient for primary cooling was also found to increase slightly with the casting speed and was higher near the mold top (up to 824 W/m²·K) where the molten aluminum first comes in contact with the mold than near the bottom (as low as 242 W/m²·K) where an air gap forms between the ingot and mold because of thermal contraction of the ingot. These results are consistent with previous studies.     

Influence of Metronidazole Particle Properties on Granules Prepared in a High-Shear Mixer-Granulator

ABSTRACT

Metronidazole is a good example of high-dose drug substance with poor granulating and tableting properties. Tablets are generally produced by liquid granulation; however, the technological process failure is quite frequent. In order to verify how the metronidazole particle characteristics can influence granule properties, three metronidazole batches differing for crystal habit, mean particle size, BET surface area and wettability were selected, primarily designed according to their different elongation ratio: needle-shaped, stick-shaped, and isodimensional. In the presence of lactose monohydrate and pregelatinized maize starch, respectively as diluent and binder, they were included in a formula for wet granulation in a high-shear mixer-granulator. In order to render the process comparable as far as possible, all parameters and experimental conditions were maintained constant. Four granule batches were obtained: granules from placebo (G-placebo), granules from needle-shaped crystals (G-needle-shaped), granules from stick-shaped crystals (G-stick-shaped), and granules from isodimensional crystals (G-isodimensional). Different granule properties were considered, in particular concerning porosity, friability, loss on drying (LOD), and flowability. In order to study their tabletability and compressibility, the different granules obtained were then compressed in a rotary press. The best tabletability was obtained with the isodimensional batch, while the poorest was exhibited by the stick-shaped one. Differences in tabletability are in good accordance with compressibility results: to a better tabletability corresponds an important granule ability to undergo a volume reduction as a result of an applied pressure. In particular, it was proposed that the greatest compressibility of the G-isodimensional must be related to the greatest granule porosity percentage.     

Micropillar Testing of Amorphous Silica

Amorphous silica exhibits a complex mechanical response. The elastic regime is highly nonlinear while plastic flow does not conserve volume, resulting in densification. As a result the quantification of a reliable constitutive equation is a difficult task. We have assessed the potential of micropillar compression testing for the investigation of the micromechanical properties of amorphous silica. We have calculated the response of amorphous silica micropillars as predicted by finite element analysis. The results were compared to preliminary microcompression tests. In the calculations, an advanced constitutive law including plastic response, densification, and strain hardening was used. Special attention was paid to the evaluation of the impact of substrate compliance, pillar misalignment, and friction conditions. We find that amorphous silica is much more amenable than some metals to microcompression experiments due to a comparatively high ratio between yield stress and elastic modulus. The simulations are found to be very consistent with the experimental results. However, full agreement cannot be obtained without allowance for the nonlinear response of amorphous silica in the elastic regime.     

Effect of shear stress and growth conditions on detachment and physical properties of biofilms

Detachment is one of the major processes determining the physical structure and microbial functionalities of biofilms. To predict detachment, it is necessary to take the mechanical properties of the biofilm and the effect of both hydrodynamic and growth conditions into account. In this work, experiments were conducted with biofilms developed under various shear stresses and with various substrate natures. In addition, two cases were considered in order to differentiate between the effect of hydrodynamic factors and growth factors: the biofilms were directly grown under the targeted shear stress (τ) condition or they were precultivated under very low shear stress (0.01 Pa) and then exposed to high shear stress in the range of 0.1-13 Pa. An exponential and asymptotic decrease of the biofilm thickness and mass with increasing τ was observed in both cases. On contrary density, expressed as the biofilm dry mass on a known substratum divided by the average thickness increased with τ. Denitrifying biofilms always showed greater thickness and density than oxic biofilms. These results showed the presence of a compact basal layer that resisted shear stresses as high as 13 Pa whatever the culture conditions. Above this basal layer, the cohesion was lower and depended on the shear stress applied during biofilm development. The application of shear stress to the biofilms resulted in both detachment and compression, but detachment prevailed for the upper part of the biofilms and compression prevailed for the basal layers. A model of biofilm structure underlying the stratified character of this aggregate is given in terms of density and cohesion.     

Characteristic time of strain induced crystallization of crosslinked natural rubber

Real time Wide-Angle X-ray Scattering (WAXS) measurements during cyclic tensile tests at high strain rates (from 8 s^?1–280 s^?1) and at room temperature on crosslinked Natural Rubber (NR) are performed thanks to a specific homemade device. From the observed influence of the frequency on the crystallization index at the maximum sample elongation, a characteristic crystallization time is deduced. This is done taking into account the material self-heating during such unusually high strain rates. Two regimes for the dynamic process of strain induced crystallization are evidenced. For the NR tested, the obtained characteristic time is around 20 ms when the material average elongation during the cyclic test is above a critical elongation value λ_c. λ_c is the minimum elongation needed to induce crystallization during low strain rate tensile tests. Moreover, a rapid increase of this characteristic time is found when the average elongation decreases below this critical value.