Independent learning and operational research in the classroom

While Operational Research and Education are common keywords in OR journals, most work focuses on course content. Relatively little has been written about processes of education and learning in OR. This paper adds to this important area by considering the use of more Independent Learning (IL) in Operational Research education. Included is an explanation of IL and justification for using it. Activities which encourage IL are described and supported by three case studies which give examples of how an academic might introduce IL into a range of OR education settings. Other topics include IL and assessment, arguments against the use of IL, and critical success factors.     

NMR microimaging studies of water diffusivity in saturated, microporous systems

A novel microimaging method is described for measuring the effective diffusion coefficient (D_∞) of water in saturated, microporous materials. A simple multicompartment computer simulation was used to show how the value of D_∞, when combined with measurements of water proton relaxation times and pulsed field gradient spin-echo amplitudes, allows the pore size distribution and pore connectivity to be characterized.     

13C CPMAS studies of plant cell wall materials and model systems using proton relaxation-induced spectral editing techniques

The solid state 13C CPMAS NMR spectra of plant cell walls are often complex owing to superposition of resonances from different polysaccharides and the heterogeneity of the cell wall assembly. In this paper, we describe the application of a set of proton relaxation-induced spectral editing (PRISE) experiments which combine 1H relaxation properties (T1, T1rho, T2) with 13C high resolution spectroscopy (CPMAS) to relate the dynamics of the plant cell walls and model systems to their domain structural details. With PRISE it has been found that in plant cell wall materials, cellulose is always associated with the long components of spin-lattice relaxation in both the laboratory and rotating frames whereas non-cellulose polysaccharides (pectin and hemicellulose) are associated with the short ones. For the proton T2 relaxation, cellulose is only associated with the short component (below 20 micros), pectin contributes to both the short component and the long one.     

Temperature induced effects in the coadsorption system: CO/D2/Ni(100)

The temperature dependent changes in the CO/D/Ni(100) system have been examined using thermal desorption spectroscopy, work function change measurements, ultra-violet photoelectron spectroscopy and X-ray photoelectron spectroscopy. Three forms of CO(a) have been found, one of which exists only in the intermediate temperature range of 130–215 K. This form is believed to be a CO(a) tilted with respect to the surface normal, with significant ONi interaction. In addition, a new interpretation of several UPS parameters measured for CO(a) is presented. It is proposed that for CO(a), the 5σ?1π separation is a probe of bonding geometry, the 4σ?1π separation reflects COCO repulsion, and the $\text{4σ}\text{5σ}$ intensity ratio reflects the NiCO bond strength.     

Reasoning maps for decision aid: an integrated approach for problem-structuring and multi-criteria evaluation

This paper proposes a tool for multi-criteria decision aid to be referred to as a Reasoning Map. It is motivated by a desire to provide an integrated approach to problem structuring and evaluation, and in particular, to make the transition between these two processes a natural and seamless progression. The approach has two phases. In the first one, the building of a Reasoning Map supports problem structuring, capturing a decision maker's reasoning as a network of means and ends concepts. In the second phase, this map is enhanced, employing a user-defined qualitative scale to measure both performances of decision options and strengths of influence for each means–end link. This latter phase supports the decision maker in evaluating the positive and negative impacts of an action through synthesis of the qualitative information. A case study, which investigates the use of the method in practice, is also presented.     

The trehalose coating effect on the internal protein dynamics

(15)N and (13)C NMR experiments were applied to conduct a comparative study of a cold shock protein (Csp) in two states-lyophilized powder and a protein embedded in a glassy trehalose matrix. Both samples were studied at various levels of rehydration. The experiments used (measuring relaxation rates R(1) and R(1ρ), motionally averaged dipolar couplings and solid state exchange method detecting reorientation of the chemical shift anisotropy tensor) allow obtaining abundant information on the protein structural features and internal motions in a range of correlation times from nanoseconds to seconds. The main results are: (a) the trehalose coating makes the protein structure more native in comparison with the dehydrated lyophilized powder, however, trehalose still cannot remove all non-native hydrogen bonds which are present in a dehydrated protein; (b) trehalose has an appreciable effect on the internal dynamics: the motion of the backbone N-H groups in the nanosecond and microsecond time scales becomes slower while the motional amplitude remains constant; (c) upon adding water to the Csp-trehalose mixture, water molecules accumulate around proteins forming a layer between the protein surface and the trehalose matrix. The protein dynamics become faster, however, not as fast as in the fully hydrated state; (d) the hydration response of dynamics of the NH and CH(CH(2)) groups in a protein is qualitatively different: upon increasing protein hydration, the correlation times of the N-H motions become shorter and the amplitude remains stable, and for CH(CH(2)) groups the motional amplitude increases and the correlation times do not change. This can be explained by a different ability of the NH and CH(CH(2)) groups to form hydrogen bonds.     

Proton N.M.R. studies of chemical and diffusive exchange in carbohydrate systems

A computer-simulated stochastic model is developed capable of predicting the combined effects of chemical and diffusive exchange on the transverse relaxation of spin-1/2 nuclei in a heterogeneous system. Comparison is first made with previous analytical theories for the special case of two site chemical exchange in a homogeneous system and the experimental data on several homogeneous aqueous carbohydrate systems are analysed. Results show that transverse water proton relaxation in these systems is dominated by proton exchange between water and carbohydrate hydroxyl groups. Analysis of model heterogeneous carbohydrate systems shows that in addition to chemical exchange, diffusion coefficients, particle morphology and local magnetic field gradients all have a role to play in determining the proton relaxation behaviour.     

Quantum Random Walks and Thermalisation

It is shown how to construct quantum random walks with particles in an arbitrary faithful normal state. A convergence theorem is obtained for such walks, which demonstrates a thermalisation effect: the limit cocycle obeys a quantum stochastic differential equation without gauge terms. Examples are presented which generalise that of Attal and Joye (J Funct Anal 247:253–288, 2007).