Copper and iron interactions with angiotensin-converting enzyme inhibitors. A study by fast-atom bombardment tandem mass spectrometry

Fast atom bombardment, combined with high-energy collision-induced tandem mass spectrometry, has been used to investigate gas-phase metal-ion interactions with captopril, enalaprilat and lisinopril, all angiotensin-converting enzyme inhibitors.Suggestions for the location of metal-binding sites are presented. For captopril, metal binding occurs most likely at both the sulphur and the nitrogen atom. For enalaprilat and lisinopril, binding preferably occurs at the amine nitrogen. Copyright 1999 John Wiley & Sons, Ltd.     

Quantitative single point imaging with compressed sensing

A novel approach with respect to single point imaging (SPI), compressed sensing, is presented here that is shown to significantly reduce the loss of accuracy of reconstructed images from under-sampled acquisition data. SPI complements compressed sensing extremely well as it allows unconstrained selection of sampling trajectories. Dynamic processes featuring short NMR signal can thus be more rapidly imaged, in our case the absorption of moisture by a cereal-based wafer material, with minimal loss of image quantification. The absolute moisture content distribution is recovered via a series of images acquired with variable phase encoding times allowing extrapolation to time zero for each image pixel and the effective removal of contrast.     

Magnetic resonance visualisation of single- and two-phase flow in porous media.

Three-dimensional MRI and flow visualisation data are presented for single and two-phase flow occurring within packed beds of glass spheres. The initial motivation for this work has been to understand the operation of fixed-bed reactors used in many chemical processing operations; these systems also serve as model porous media in which to investigate the effect of the structure of a pore space on the flow phenomena occurring within it. For the case of single-phase flow, maps of the liquid shear rate components are calculated from which forces on individual spheres within the bed are obtained. The velocity histogram for flow transverse to the direction of superficial flow is exponential in both negative and positive directions. This form of the velocity histogram implies an exponential form for the displacement propagator, in contrast to the Gaussian distribution obtained by pulsed gradient spin echo measurements. This difference arises because the spatially resolved velocity imaging sequence measures only the average velocity within each voxel and is insensitive to the effects of incoherent (diffusive) motion. Visualisations of air-water flow through a sphere pack are also reported and the capability of MRI to yield information on rivulet formation and surface wetting characteristics is illustrated.     

A Bayesian approach to characterising multi-phase flows using magnetic resonance: application to bubble flows

Magnetic Resonance (MR) imaging is difficult to apply to multi-phase flows due to both the inherently short T?* characterising such systems and the relatively long time taken to acquire the data. We develop a Bayesian MR approach for analysing data in k-space that eliminates the need for image acquisition, thereby significantly extending the range of systems that can be studied. We demonstrate the technique by measuring bubble size distributions in gas-liquid flows. The MR approach is compared with an optical technique at a low gas fraction (～2%), before being applied to a system where the gas fraction is too high for optical measurements (～15%).     

Validation of NMR relaxation exchange time measurements in porous media

Two-dimensional T(2)-T(2) NMR relaxation exchange spectroscopy has been applied to model porous media composed of mixtures of nonporous borosilicate and soda lime glass spheres in water. The spheres had a mean diameter of 100 microm, thus providing an approximately constant characteristic pore dimension throughout the structures, while the use of two glass types ensured that water in different pore-space regions had significantly different T(2) relaxation rates. The packed beds were constructed in various ways with controlled glass type domain sizes to rigorously validate a model for region-to-region exchange of water. From the determined exchange times, the corresponding length scales were calculated based on the molecular self-diffusion of water; these agreed to better than +/-25% with the expected domain sizes. Furthermore, exchange distances on the order of the pore size were observed in thoroughly mixed systems. Depending on the relaxation rates present in the sample, this technique can provide estimates of length scales ranging from microns to millimeters.     

Time-of-flight variant to image mixing of granular media in a 3D fluidized bed

This paper describes a variant of time-of-flight magnetic resonance (MR) imaging that provides a method of measuring the inherent mixing in a fluidized bed without the introduction of tracer particles. The modifications to conventional time-of-flight imaging enable the measurement of the axial mixing of a precisely controlled initial particle distribution, thereby providing measurements suitable for a direct comparison with models of solids mixing in granular systems. The imaging sequence is applied to characterize mixing, over time scales of 25-1000 ms, in a gas-fluidized bed of Myosotis seed particles; mixing over short timescales, inaccessible using conventional tracer techniques, is studied using this technique. The mixing pattern determined by this pulse sequence is used in conjunction with MR velocity images of the motion of the particles to provide new insight into the mechanism of solids mixing in granular systems.     

Validation of a discrete element model using magnetic resonance measurements

The discrete element model （DEM） is a very promising modelling strategy for two-phase granular systems. However, owing to a lack of experimental measurements, validation of numerical simulations of two-phase granular systems is still an important issue. In this study, a small two-dimensional gas- fluidized bed was simulated using a discrete element model. The dimensions of the simulated bed were 44mm × 10mm × 120 mm and the fluidized particles had a diameter dp = 1.2 mm and density ρp = 1000 kg/m^3. The comparison between DEM simulations and experiments are performed on the basis of time-averaged voidage maps. The drag-law of Beetstra et al. [Beetstra, R., van der Hoef, M.A., ＆ Kuipers,J. A. M. （2007b）. Drag force of intermediate Reynolds number flow past mono- and bidispersed arrays of spheres. AIChE Journal, 53,489-501 ] seems to give the best results. The simulations are fairly insensitive to the coefficient of restitution and the coefficient of friction as long as some route of energy dissipation during particle-particle and particle-wall contact is provided. Changing the boundary condition of the gas phase at the side-walls from zero-slip to full-slip does not affect the simulation results. Care is to be taken that the cell sizes are chosen so that a reasonable number of particles can be found in a fluid cell.