Molecular dynamics of polycrystalline cellobiose studied by solid-state NMR

Molecular motions of polycrystalline cellobiose have been investigated by measuring proton spin–lattice relaxation times, T₁ and T_1ρ, and the second moment, M₂, in both protonated and D₂O exchanged forms over the temperature range 120–380 K. T₁ relaxation is dominated by the motions of hydroxyl groups between 150 and 380 K, characterised by an activation energy of about 8.74 kJ/mol, whereas T_1ρ relaxation is driven by the motions of the same groups between 120 and 300 K. T_1ρ results suggest that hydroxyl groups have a distribution of dynamics. Motion of methylene groups was detected in the second-moment experiments at about 350 K, characterised by activation energy of about 40 kJ/mol. Consideration of the calculated and observed rigid-lattice second moments suggests that the reported X-ray data are incorrect for the inter-proton distance on C6′. ¹³C CPMAS spectra of both protonated and deuterated cellobiose have also been measured. Spectra of the deuterated material showed the existence of a second crystalline form in addition to the normal form.     

Enhanced performance measurement using OR: a case study

The case study described in this paper aims to illustrate how qualitative and quantitative system dynamics modelling and multicriteria analysis can be used in an integrated way to enhance the process of performance measurement and management in the radiotherapy department of a major UK cancer treatment centre. The complexity of the radiotherapy process and its significance for patients present particular challenges for performance measurement and management. The paper discusses the benefits arising and the practical difficulties faced in the study.     

Demystifying DEA — A Visual Interactive Approach Based on Multiple Criteria Analysis

Both Data Envelopment Analysis (DEA) and Multiple Criteria Analysis (MCA) can be used to assess the efficiency with which units perform similar tasks. This paper describes an approach derived from the integration of data envelopment analysis and a multi-attribute value function. This approach is implemented as a visual interactive decision support system, the use of which is illustrated by a practical application. The authors feel that this approach overcomes some of the limitations of the original DEA approach and, in particular, increases users' understanding of DEA. The approach is particularly well suited to the analysis of the efficiency of a small number of units.     

A new stepwise synthesis of a family of propylamines derived from diatom silaffins and their activity in silicification

A new method for the stepwise synthesis of propylamines containing fragments of N-methyl propylamine as found in diatom bioextracts is presented and their activity in silicic acid condensation is described.     

Qualitative operators for reasoning maps: Evaluating multi-criteria options with networks of reasons

Cognitive/causal maps have been widely used as a powerful way of capturing decision-makers’ views about a problem, representing it as a cause–effect discourse. Several ways of making causal inferences from this type of model have been proposed in the Operational Research and Artificial Intelligence literatures, but none, as far as we are aware, has attempted to use a causal map structure to perform a multi-criteria evaluation of decision alternatives. Recently, we have proposed a new multi-criteria method, denominated as a Reasoning Map, which permits the use of decision-makers’ reasoning, structured as a network of means-and-ends (a particular type of causal map) to perform such an evaluation. In this manner, the model resembles the way that people talk and think about decisions in practice. The method also pays explicit attention to the cognitive limitations of decision-makers in providing preference information. Thus it employs qualitative assessment of preferences, utilises aggregation operators for qualitative data and provides also qualitative outputs. In this paper we discuss and evaluate possible ways of aggregating qualitative performance information in Reasoning Maps.     

The Use of a Simple Multiple-Criteria Model to Assist in Selection from a Shortlist

The use of a simple multiple-criteria model to assist in decision making is described. The model, a hierarchical additive weighted value-function, was used as a part of a decision-making process to select, from a shortlist of three, the company with which to place a contract for the development of a computerized financial management system. The multiple-criteria model and its use are described in detail. To conclude, there is a discussion on the contribution of the model to the decision-making process as perceived by the decision-making group.     

Causal maps and the evaluation of decision options—a review

Causal maps are widely employed in problem-structuring interventions. They permit a rich representation of ideas, through the modelling of complex chains of argument as networks. The last stage of a problem-structuring intervention is often to identify and agree to a set of potential strategic options. In some circumstances the preferred direction may emerge naturally from a process of negotiation; in others further, more-or-less formal, analysis to evaluate the options and to understand their impacts on the goals could be helpful. Such analysis may help to bring closure to the process. The main aim of this paper is to review systematically the approaches for evaluating options following from the use of a causal map for problem structuring; some directly using the map structure, others working with concepts extracted from, or an external model derived from, the map. Following a proposed taxonomy, each approach is presented, and its advantages and disadvantages are discussed.