Direct detection of oxygen intermediates in the non-heme Fe enzyme taurine/alpha-ketoglutarate dioxygenase

The reaction of substrate-bound taurine/alpha-ketoglutarate dioxygenase with O2 has been studied using cryogenic continuous-flow spectroscopy. Transient absorption spectra acquired at -38 degrees C show an exponential decay of a 318-nm chromophore with an apparent rate of 1.3 s-1. The observed optical changes and their kinetics are consistent with the profile of an Fe(IV) species detected recently by M?ssbauer spectroscopy (Price et al., Biochemistry 2003, 42, 7497-7508). Resonance Raman measurement upon excitation at 363.7 nm reveal at least two oxygen isotope-sensitive vibrations at 821/787 cm-1 and 583/555 cm-1 for 16O and 18O derivatives, respectively. An additional mode is likely to be obscured by an ethylene glycol vibration at 865 cm-1 and/or 1089 cm-1. The 821 cm-1 vibration is assigned to the stretching mode of Fe(IV)=O species on the basis of its frequency and isotopic shift amplitude. The 583 cm-1 band is likely to originate from an Fe-O2 precursor of the Fe(IV)=O species, although its structural details are unclear at present.     

Observations of acoustically generated cavitation bubbles within typical fluids applied to a scroll expander lubrication system

An experimental study to evaluate the dynamic performance of three different types of cavitation bubbles is conducted. An ultrasonic transducer submerged into the working fluids of a scroll expander is utilised to produce cavitation bubbles and a high speed camera device is used to capture their behaviour. Three critical regions around the ultrasonic source, between the source and the solid boundary, and across the solid boundary were observed. Experimental results revealed that refrigerant bubbles sustain a continuous oscillatory movement, referenced as “wobbling effect”, without regularly collapsing. Analytical results indicate the influence of several factors such as surface tension/viscosity ratio, Reynolds number and Weber number which interpret that particular behaviour of the refrigerant bubbles. Within the refrigerant environment the bubbles obtain large Reynolds numbers and low Weber numbers. In contrast, within the lubricant and the water environment Weber number is significantly higher and Reynolds number substantially lower. The bubble radius and velocity alterations are accurately calculated during the cavitation process. Lubricant bubbles achieve the highest jet velocity while refrigerant bubbles having the lowest jet velocity are not considered as a destructive mean of cavitation for scroll expander systems.     

On the smallest scale for the incompressible Navier-Stokes equations

We prove that, for solutions to the two- and three-dimensional incompressible Navier-Stokes equations, the minimum scale is inversely proportional to the square root of the Reynolds number based on the kinematic viscosity and the maximum of the velocity gradients. The bounds on the velocity gradients can be obtained for two-dimensional flows, but have to be assumed in three dimensions. Numerical results in two dimensions are given which illustrate and substantiate the features of the proof. Implications of the minimum scale result, to the decay rate of the energy spectrum are discussed.Research was supported in part by the National Acronautics and Space Administration under NASA Contract No. NAS1-18107, while the second author was in residence at the Institute for Computer Applications in Science and Engineering (ICASE), NASA Langley Research Center, Hampton, VA 23665. Additional support was provided by the National Science Foundation under Grant DMS-8312264 and the Office of Naval Research under Contract N-00014-83-K-0422.     

Compton scattering from deuterium and the polarizabilities of the neutron

A new program of Compton scattering on deuterium is under way at the tagged-photon facility at MAX-Lab in Lund, Sweden. We will measure differential cross sections between 60° and 150° over the photon energy range 60–115?MeV in 5?MeV steps, with the ultimate goal of obtaining new precision information on the electric and magnetic polarizabilities of the neutron.     

Droplet Microfluidic Optimisation Using Micropipette Characterisation of Bio-Instructive Polymeric Surfactants

Droplet microfluidics can produce highly tailored microparticles whilst retaining monodispersity. However, these systems often require lengthy optimisation, commonly based on a trial-and-error approach, particularly when using bio-instructive, polymeric surfactants. Here, micropipette manipulation methods were used to optimise the concentration of bespoke polymeric surfactants to produce biodegradable (poly(d,l-lactic acid) (PDLLA)) microparticles with unique, bio-instructive surface chemistries. The effect of these three-dimensional surfactants on the interfacial tension of the system was analysed. It was determined that to provide adequate stabilisation, a low level (0.1% (w/v)) of poly(vinyl acetate-co-alcohol) (PVA) was required. Optimisation of the PVA concentration was informed by micropipette manipulation. As a result, successful, monodisperse particles were produced that maintained the desired bio-instructive surface chemistry.     

Smallest scale estimates for the Navier-Stokes equations for incompressible fluids

We consider solutions of the Navier-Stokes equations for incompressible fluids in two and three space dimensions. We obtain improved estimates, in the limit of vanishing viscosity, for the Fourier coefficients. The coefficients decay exponentially fast for wave numbers larger than the square root of the maximum of the velocity gradients divided by the square root of the viscosity. This defines the minimum scale, the size of the smallest feature in the flow.The work of Kreiss was supported in part by National Science Foundation under Grant DMS-8312264 and Office of Naval Research under Contract N-00014-83-K-0422.     

Highly efficient, resonant Raman molecular iodine laser

A highly efficient 1.3-microm molecular iodine Raman laser is demonstrated. Multiwavelength output powers of 600 mW and photon-conversion efficiencies of 78% are demonstrated for a 532-nm pump source. Single-wavelength output powers of 480 mW and photon-conversion efficiencies of 67% are also realized. A simple thermal lensing model is used to optimize the pump and Stokes mode sizes.     

Numerical methods for solid mechanics on overlapping grids: Linear elasticity

This paper presents a new computational framework for the simulation of solid mechanics on general overlapping grids with adaptive mesh refinement (AMR). The approach, described here for time-dependent linear elasticity in two and three space dimensions, is motivated by considerations of accuracy, efficiency and flexibility. We consider two approaches for the numerical solution of the equations of linear elasticity on overlapping grids. In the first approach we solve the governing equations numerically as a second-order system (SOS) using a conservative finite-difference approximation. The second approach considers the equations written as a first-order system (FOS) and approximates them using a second-order characteristic-based (Godunov) finite-volume method. A principal aim of the paper is to present the first careful assessment of the accuracy and stability of these two representative schemes for the equations of linear elasticity on overlapping grids. This is done by first performing a stability analysis of analogous schemes for the first-order and second-order scalar wave equations on an overlapping grid. The analysis shows that non-dissipative approximations can have unstable modes with growth rates proportional to the inverse of the mesh spacing. This new result, which is relevant for the numerical solution of any type of wave propagation problem on overlapping grids, dictates the form of dissipation that is needed to stabilize the scheme. Numerical experiments show that the addition of the indicated form of dissipation and/or a separate filter step can be used to stabilize the SOS scheme. They also demonstrate that the upwinding inherent in the Godunov scheme, which provides dissipation of the appropriate form, stabilizes the FOS scheme. We then verify and compare the accuracy of the two schemes using the method of analytic solutions and using problems with known solutions. These latter problems provide useful benchmark solutions for time dependent elasticity. We also consider two problems in which exact solutions are not available, and use a posterior error estimates to assess the accuracy of the schemes. One of these two problems is additionally employed to demonstrate the use of dynamic AMR and its effectiveness for resolving elastic “shock” waves. Finally, results are presented that compare the computational performance of the two schemes. These demonstrate the speed and memory efficiency achieved by the use of structured overlapping grids and optimizations for Cartesian grids.     

A study of detonation diffraction and failure for a model of compressible two-phase reactive flow

A two-phase model of heterogeneous explosives, with a reaction rate that is proportional to the gas-phase pressure excess above an ignition threshold, is examined computationally. The numerical approach, a variant of Godunov's method designed to accommodate nonconservative terms in the hyperbolic model, extends previous work of the authors to two-dimensional configurations. The focus is on the behavior of an established detonation as it rounds a 90° corner and undergoes diffraction. The dependence of the post-diffraction conduct on the reaction rate is explored by varying the reaction-rate prefactor and the ignition threshold. The aim is to determine whether the model, as postulated, can capture dead zones, which are pockets of unreacted or partially reacted explosive observed in the vicinity of the corner in diffraction experiments. Results of this study are compared with those of a similar investigation on the one-phase ignition-and-growth model.