A novel type of geosmin biosynthesis in myxobacteria

The biosynthesis of geosmin (1) and (1(10)E,5E)-germacradien-11-ol (2), two volatile terpenoid compounds emitted by the myxobacteria Myxococcus xanthus and Stigmatella aurantiaca, was investigated in feeding experiments with different labeled precursors. In these experiments, the volatiles released by the cell cultures grown on agar plates were collected with a closed-loop stripping apparatus (CLSA) and analyzed by GC-MS. [(2)H(10)]Leucine and [4,4,4,5,5,5-(2)H(6)]dimethylacrylate were fed to wild-type strains and bkd mutant strains, which are impaired in the degradation of leucine to isovaleryl-CoA. [(2)H(10)]Leucine was incorporated into 1 and 2 only by the wild-type strains via the biosynthetic pathway that involves leucine degradation and branching into the mevalonate pathway. Dimethylacrylyl-CoA (DMA-CoA) is an intermediate in the leucine degradation and in the recently discovered pathway from HMG-CoA to isovaleryl-CoA. The corresponding free acid, [4,4,4,5,5,5-(2)H(6)]dimethylacrylic acid, was incorporated into 1 and 2 only by the mutants impaired in leucine degradation. [4,4,6,6,6-(2)H(5)]Mevalonic acid lactone (12) was synthesized and fed to M. xanthus and S. aurantiaca wild-type strains and a double mutant strain of M. xanthus. This strain does not degrade leucine and is impaired in the reduction of 3-hydroxy-3-methylglutaryl-CoA to mevalonic acid. The mass spectral analysis of labeled 1 and 2 obtained in these feeding experiments led to a biosynthetic scheme to 1 with intermediate 2. This pathway differs from that observed in the liverwort Fossombronia pusilla and thus suggests microbial geosmin biosynthesis following a route different from that in liverworts. Our results are supported by a 1,2-hydride shift of the tertiary hydrogen atom at C-4a into the ring opposite to that in F. pusilla.     

Structural stability and electronic properties of AgInS<Subscript>2</Subscript> under pressure

We employ state-of-the-art ab initio density functional theory techniques to investigatethe structural, dynamical, mechanical stability and electronic properties of the ternaryAgInS₂ compoundsunder pressure. Using cohesive energy and enthalpy, we found that from the six potentialphases explored, the chalcopyrite and the orthorhombic structures were very competitive aszero pressure phases. A pressure-induced phase transition occurs around 1.78 GPa from the low pressure chalcopyritephase to a rhombohedral RH-AgInS₂ phase. The pressure phase transition around 1.78 GPa isaccompanied by notable changes in the volume and bulk modulus. The calculations of thephonon dispersions and elastic constants at different pressures showed that thechalcopyrite and the orthorhombic structures remained stable at all the selected pressure(0, 1.78 and 2.5 GPa), where detailed calculations were performed, while the rhombohedralstructure is only stable from the transition pressure 1.78 GPa. Pressure effect on thebandgap is minimal due to the small range of pressure considered in this study. Themeta-GGA MBJ functional predicts bandgaps which are in good agreement with availableexperimental values.     

Flamelet Based NO x -Radiation Integrated Modelling of Turbulent Non-premixed Flame using Reynolds-stress Closure

A methodology of extending laminar flamelet model in its adiabatic form to a non-adiabatic form which can account for radiative heat loss as well as its effect on NO _x pollutant has been developed. Coupling of radiation submodel with flamelet model is based on the enthalpy defect concept. Pollutant NO _x has been calculated from solution of its transport equation containing source term which is derived from flamelet calculations. Flamelet calculations adopted GRI 2.11 reaction mechanism which accounts for detailed carbon and NO _x chemistry. Depending on consideration of variation in scalar dissipation within flamelet calculations, the non-adiabatic form has been further divided into non-adiabatic model with single (NADS) and multiple scalar dissipation rates (NADM). Bluff-body stabilized CH₄/H₂ flame has been chosen as the test case to assess the capability of non-adiabatic models. Turbulence closure has been achieved with a Reynolds stress transport model. Calculations have also been carried out with a modified k-ε model for evaluation of relative performance of the two turbulence closures. Performance of non-adiabatic flamelet models in regard to the overall structure of the flame is reasonably good and the agreement is similar to that of the adiabatic flamelet model thereby indicating weakly radiating nature of the flame. However, the NADM model results in minor but encouraging improvement in NO mass fraction predictions by reducing the extent of overprediction observed with the adiabatic model. In contrast, the NADS model results in overprediction over and above the adiabatic predictions thereby showing that, it is imperative to consider variation in scalar dissipation rate in flamelet calculations to capture the effect of radiation on NO. The results also show that employing the modified k-ε model instead of the Reynolds stress transport model for turbulence closure in NADM calculations results in considerable overprediction in centerline NO mass fractions.     

Micro-scale behavior of granular materials during cyclic loading

This study presents the micro-scale behavior of granular materials under biaxial cyclic loading for differ- ent confining pressures using the two-dimensional （2D） discrete element method （DEM）. Initially, 8450 ovals were generated in a rectangular frame without any overlap. Four dense samples having confining pressures of 15, 25, 50, and 100 kPa were prepared from the initially generated sparse sample. Numeri- cal simulations were performed under biaxial cyclic loading using these isotropically compressed dense samples. The numerical results depict stress-strain-dilatancy behavior that was similar to that observed in experimental studies. The relationship between the stress ratio and dilatancy rate is almost indepen- dent of confining pressures during loading but significantly dependent on the confining pressures during unloading. The evolution of the coordination number, effective coordination number and slip coordina- tion number depends on both the confining pressures and cyclic loading. The cyclic loading significantly affects the microtopology of the granular assembly. The contact fabric and the fabric-related anisotropy are reported, as well. A strong correlation between the stress ratio and the fabric related to contact normals is observed during cyclic loading, irrespective of confining pressures.     

Heat transfer mechanisms in poplar wood undergoing torrefaction

Torrefaction, a thermal treatment process of biomass, has been proved to improve biomass combustible properties. Torrefaction is defined as a thermochemical process in reduced oxygen condition and at temperature range from 200 to 300 °C for shorter residence time whereby energy yield is maximized, can be a bridging technology that can lead the conventional system (e.g. coal-fired plants) towards a sustainable energy system. In efforts to develop a commercial operable torrefaction reactor, the present study examines the minimum input condition at which biomass is torrefied and explores the heat transfer mechanisms during torrefaction in poplar wood samples. The heat transfer through the wood sample is numerically modeled and analyzed. Each poplar wood is torrefied at temperature of 250, 270, and 300 °C. The experimental study shows that the 270 °C-treatment can be deduced as the optimal input condition for torrefaction of poplar wood. A good understanding of heat transfer mechanisms can facilitate the upscaling and downscaling of torrefaction process equipment to fit the feedstock input criteria and can help to develop treatment input specifications that can maximize process efficiency.