Base-line model for identifying the bioaccumulation potential of chemicals

The base-line modeling concept presented in this work is based on the assumption of a maximum bioconcentration factor (BCF) with mitigating factors that reduce the BCF. The maximum bioconcentration potential was described by the multi-compartment partitioning model for passive diffusion. The significance of different mitigating factors associated either with interactions with an organism or bioavailability were investigated. The most important mitigating factor was found to be metabolism. Accordingly, a simulator for fish liver was used in the model, which has been trained to reproduce fish metabolism based on related mammalian metabolic pathways. Other significant mitigating factors, depending on the chemical structure, e.g. molecular size and ionization were also taken into account in the model. The results (r(2)=0.84) obtained for a training set of 511 chemicals demonstrate the usefulness of the BCF base line concept. The predictability of the model was evaluated on the basis of 176 chemicals not used in the model building. The correctness of predictions (abs(logBSF(Obs)-logBCF(Calc))=0.75)) for 59 chemicals included within the model applicability domain was 80%.     

Microprocessor ratemeter for kinetic determinations

A simple, compact, easy-to-implement microprocessor ratemeter for kinetic determinations based on initial rate, fixed time, and variable time is presented. The hardware and software are such that the ratemeter can be used with almost any transducer or instrument to monitor reactions in a wide variety of chemical systems. The performance of the ratemeter is demonstrated by its application to the determination of phosphorus by stoppedflow spectrometry, glucose by amperometry, and alkaline phosphatase activity in control sera by visible spectrophotometry.     

An improved error bound for a finite element approximation of a model for phase separation of a multi-component alloy

Using the approach of Rulla (1996 SIAM J. Numer. Anal. 33, 68-87)for analysing the time discretization error and assuming moreregularity on the initial data, we improve on the error boundderived by Barrett and Blowey (1996 IMA J. Numer. Anal. 16,257-287) for a fully practical piecewise linear finite elementapproximation with a backward Euler time discretization of amodel for phase separation of a multi-component alloy.     

The turbulent Alfvénic aurora

It is demonstrated from observations that the Alfvénic aurora may be powered by a turbulent cascade transverse to the geomagnetic field from large MHD scales to small Alfvén wave scales of several electron skin depths and less. We show that the energy transport through the cascade is sufficient to drive the observed acceleration of electrons from near-Earth space to form the aurora. We find that regions of Alfvén wave dissipation, and particle acceleration, are localized or intermittent and embedded within a near-homogeneous background of large-scale MHD structures.     

Finite element approximation of a model for phase separation of a multi-component alloy with a concentration-dependent mobility matrix

We consider a model for phase separation of a multi-componentalloy with a concentration-dependent mobility matrix and logarithmicfree energy. In particular we prove that there exists a uniquesolution for sufficiently smooth initial data. Further, we provean error bound for a fully practical piecewise linear finiteelement approximation in one and two space dimensions. Finallynumerical experiments with three components in one space dimensionare presented.