Electronic structure benchmark calculations of CO fixing elementary chemical steps in RuBisCO using the projector-based embedding approach.

Ribulose 1,5-bisphosphate carboxylase-oxygenase (RuBisCO) is the main enzyme involved in atmospheric carbon dioxide (CO ) fixation in the biosphere. This enzyme catalyzes a set of five chemical steps that take place in the same active-site within magnesium (II) coordination sphere. Here, a set of electronic structure benchmark calculations have been carried out on a reaction path proposed by Gready et al.

Adding fuel to the fire: the impacts of non-native grass invasion on fire management at a regional scale.

Background: Widespread invasion by non-native plants has resulted in substantial change in fire-fuel characteristics and fire-behaviour in many of the world's ecosystems, with a subsequent increase in the risk of fire damage to human life, property and the environment. Models used by fire management agencies to assess fire risk are dependent on accurate assessments of fuel characteristics but there is little evidence that they have been modified to reflect landscape-scale invasions. There is also a paucity of information documenting other changes in fire management activities that have occurred to mitigate changed fire regimes.

Dynamic properties of unstable motion of swirling premixed flames generated by a change in gravitational orientation.

The dynamic behavior of swirling premixed flames generated by the effect of the gravitational orientation has been experimentally and numerically investigated. When the gravitational direction relative to the flame front is changed, i.e.

Are we setting about improving the safety of computerised prescribing in the right way? A workshop report.

Background: Prescribing errors are common and costly. Technology should enable safer prescribing. The two main current methods of doing so are computer initiated clinical support software (CDSS) and the user initiated information retrieval (IR) systems.

Modeling light scattering from Diesel soot particles.

The Mie model is widely used to analyze light scattering from particulate aerosols. The Diesel particle scatterometer, for example, determines the size and optical properties of Diesel exhaust particles that are characterized by the measurement of three angle-dependent elements of the Mueller scattering matrix. These elements are then fitted by Mie calculations with a Levenburg-Marquardt optimization program.