Mössbauer studies of materials used to immobilise industrial wastes

The necessity to immobilise waste safely requires the development of stable materials. Mössbauer spectroscopy has been used to help understand and obtain desirable properties in alkali borosilicate glasses, phosphate glasses and vitrified sewage sludge ash. Phosphate glasses suitable for waste immobilisation have been microwaved and conventionally melted and differences reported. The environment of Fe in promising ceramics has also been studied. Mössbauer studies of irradiated vitrified wasteforms show their resistance to radiation damage.     

Crystal structure of human carboxylesterase 1 complexed with the Alzheimer's drug tacrine: from binding promiscuity to selective inhibition

Human carboxylesterase 1 (hCE1) is a broad-spectrum bioscavenger that plays important roles in narcotic metabolism, clinical prodrug activation, and the processing of fatty acid and cholesterol derivatives. We determined the 2.4 A crystal structure of hCE1 in complex with tacrine, the first drug approved for treating Alzheimer's disease, and compare this structure to the Torpedo californica acetylcholinesterase (AcChE)-tacrine complex. Tacrine binds in multiple orientations within the catalytic gorge of hCE1, while it stacks in the smaller AcChE active site between aromatic side chains. Our results show that hCE1's promiscuous action on distinct substrates is enhanced by its ability to interact with ligands in multiple orientations at once. Further, we use our structure to identify tacrine derivatives that act as low-micromolar inhibitors of hCE1 and may provide new avenues for treating narcotic abuse and cholesterol-related diseases.     

Eulerian quasisymmetric functions for the type B Coxeter group and other wreath product groups

Eulerian quasisymmetric functions were introduced by Shareshian and Wachs in order to obtain a q-analog of Euler?s exponential generating function formula for the Eulerian numbers (Shareshian and Wachs, 2010 [17]). They are defined via the symmetric group, and applying the stable and nonstable principal specializations yields formulas for joint distributions of permutation statistics. We consider the wreath product of the cyclic group with the symmetric group, also known as the group of colored permutations. We use this group to introduce colored Eulerian quasisymmetric functions, which are a generalization of Eulerian quasisymmetric functions. We derive a formula for the generating function of these colored Eulerian quasisymmetric functions, which reduces to a formula of Shareshian and Wachs for the Eulerian quasisymmetric functions. We show that applying the stable and nonstable principal specializations yields formulas for joint distributions of colored permutation statistics, which generalize the Shareshian–Wachs q-analog of Euler?s formula, formulas of Foata and Han, and a formula of Chow and Gessel.     

Computational organizational network modeling: Strategies and an example

This paper articulates the logic of computational organizational modeling as a strategy for theory construction and testing in the field of organizational communication networks. The paper introduces, Blanche, and objectoriented simulation environment that supports quantitative modeling and analysis of the evolution of organizational networks. Blanche relies on the conceptual primitives of attributes that describe network nodes and links that connect these nodes. Difference equations are used to model the dynamic properties of the network as it changes over time. This paper describes the design of Blanche and how it supports both the process of theory construction, model building and analysis of results. The paper concludes with an empirical example, to test the predictions of a network-based social influence model for the adoption of a new communication technology in the workplace.