Flow characterisation for a validation study in high-speed aerodynamics

Validation studies are becoming increasingly relevant when investigating complex flow problems in high-speed aerodynamics. These investigations require calibration of numerical models with accurate data from the physical wind tunnel being studied. This paper presents the characterisation process for a joint experimental-computational study to investigate the streamwise corners of a Mach 2.5 channel flow. As well as checks of flow quality typically performed for phenomenological investigations, additional quantitative tests are conducted. The extra care to obtain high quality data and eliminate any systematic errors reveal useful information about the wind tunnel flow. Further important physical insights are gained from designing and conducting wind tunnel tests in conjunction with numerical simulations. Crucially, the close experimental-computational collaboration enabled the identification of secondary flows in the sidewall boundary-layers; these strongly influence the flow in the corner regions, the target of the validation study

Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe

Human serum transferrin (hTF) binds Fe(III) tightly but reversibly, and delivers it to cells via a receptor-mediated endocytosis process. The metal-binding and release result in significant conformational changes of the protein. Here, we report the crystal structures of diferric-hTF (Fe N Fe C-hTF) and bismuth-bound hTF (Bi N Fe C-hTF) at 2.8 and 2.4 Å resolutions respectively. Notably, the N-lobes of both structures exhibit unique 'partially-opened' conformations between those of the apo-hTF and holo-hTF. Fe(III) and Bi(III) in the N-lobe coordinate to, besides anions, only two (Tyr95 and Tyr188) and one (Tyr188) tyrosine residues, respectively, in contrast to four residues in the holo-hTF. The C-lobe of both structures are fully closed with iron coordinating to four residues and a carbonate. The structures of hTF observed here represent key conformers captured in the dynamic nature of the transferrin family proteins and provide a structural basis for understanding the mechanism of metal uptake and release in transferrin families. © 2012 Macmillan Publishers Limited. All rights reserved.published_or_final_versio

The SECO suite of codes for site Performance Assessment

Modeling for Performance Assessment of the Waste Isolation Pilot Plant (WIPP ) has led to development of the SECO suite of codes for groundwater flow, particle tracking, and transport. Algorithm and code developments include the following areas: facilitation of grid convergence tests in multiple domains; correct treatment of transmissivity factors for unconfined aquifers; efficient multigrid algorithms; a formulation of brine Darcy flow equations that uses freshwater head as the dependent able; boundary-fitted coordinates; temporal high order particle tracking; an efficient and accurate implicit Finite Volume TVD algorithm for radionuclide transport in (possibly) fractured porous media; accurate calculation of advection via a flux-based modified method of characteristics; and Quality Assurance procedures