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Investigating the interactions of the 18 kDa translocator protein and its ligand PK11195 in planar lipid bilayers
No full textThe functional effects of a drug ligand may be due not only to an interaction with its membrane protein target, but also with the surrounding lipid membrane. We have investigated the interaction of a drug ligand, PK11195, with its primary protein target, the integral membrane 18 kDa translocator protein (TSPO), and model membranes using Langmuir monolayers, quartz crystal microbalance with dissipation monitoring (QCM-D) and neutron reflectometry (NR). We found that PK11195 is incorporated into lipid monolayers and lipid bilayers, causing a decrease in lipid area/molecule and an increase in lipid bilayer rigidity. NR revealed that PK11195 is incorporated into the lipid chain region at a volume fraction of ~ 10%. We reconstituted isolated mouse TSPO into a lipid bilayer and studied its interaction with PK11195 using QCM-D, which revealed a larger than expected frequency response and indicated a possible conformational change of the protein. NR measurements revealed a TSPO surface coverage of 23% when immobilised to a modified surface via its polyhistidine tag, and a thickness of 51 Å for the TSPO layer. These techniques allowed us to probe both the interaction of TSPO with PK11195, and PK11195 with model membranes. It is possible that previously reported TSPO-independent effects of PK11195 are due to incorporation into the lipid bilayer and alteration of its physical properties. There are also implications for the variable binding profiles observed for TSPO ligands, as drug–membrane interactions may contribute to the apparent affinity of TSPO ligands. © 2013, Elsevier B.V
Comparison between XRF and IBA techniques in analysis of fine aerosols collected in Rijeka, Croatia
No full textThe new system for energy dispersive X-ray fluorescence (EDXRF) analysis has been installed at the Laboratory for Elemental Micro-Analysis (LEMA) at the University of Rijeka. Currently the key application of this new XRF system is in the field of environmental science, i.e. in the analysis of fine airborne particles. In this work, results of initial multi-elemental analysis of PM2.5 fraction is reported for the first time in the region of Rijeka, Croatia. Sampling was performed at the Rijeka City center, during a continuous 9-day period in February/March 2012. All samples were collected on stretched Teflon filters in 12 h periods. To check the reliability of the new XRF system, results of XRF analysis are compared with the results obtained by the well-established Ion Beam Analysis (IBA) laboratory at Australian Nuclear Science and Technology Organisation (ANSTO). The concentrations of H, Na, Al, Si, P, S, Cl, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Br and Pb were determined. In addition, black carbon was determined by Laser Integrating Plate Method (LIPM). Very good agreement between XRF and IBA techniques is obtained for all elements detected by both techniques. Elemental concentrations were correlated with the traffic volume and wind speed and direction. The summary of our findings is presented and discussed in this paper. © 2014, Elsevier B.V
In situ studies of structural changes in DME synthesis catalyst with synchrotron powder diffraction
No full textStructural changes in a bi-functional dimethyl ether synthesis catalyst (CuO-ZnO-Al2O3-MgO + γ-Al2O3, BFC), a methanol synthesis catalyst (CuO-ZnO-Al2O3-MgO, MSC) and a methanol dehydration catalyst (γ-Al2O3, MDC), were studied using X-ray synchrotron powder diffraction. The catalysts were first reduced in 10% H2/He and then treated in a gas containing CO, H2 and CO2. Measurements were taken at temperatures between 50 °C and 500 °C. These measurements were complemented by ex-situ techniques—thermogravimetry (TG) and scanning electron microscopy (SEM)/energy-dispersive X-ray spectroscopy (EDS). The X-ray diffraction (XRD) results showed that the copper oxide phase, present in methanol synthesis and bi-functional catalysts, reduced to form Cu0 after reduction. No further chemical changes were observed for these catalysts. γ-Al2O3 was resistant to structural and chemical changes. The copper crystallite sizes of the methanol and bi-functional catalysts were found to increase with temperature. The extent of deactivation was higher for CuO-ZnO-Al2O3-MgO + γ-Al2O3 compared to CuO-ZnO-Al2O3-MgO. © 2014, Elsevier B.V
Tailoring the coercivity in ferromagnetic ZnO thin films by 3d and 4f elements codoping
No full textCluster free, Co (3d) and Eu (4f) doped ZnO thin films were prepared using ion implantation technique accompanied by post annealing treatments. Compared with the mono-doped ZnO thin films, the samples codoped with Co and Eu exhibit a stronger magnetization with a giant coercivity of 1200 Oe at ambient temperature. This was further verified through x-ray magnetic circular dichroism analysis, revealing the exchange interaction between the Co 3d electrons and the localized carriers induced by Eu3+ ions codoping. The insight gained with modulating coercivity in magnetic oxides opens up an avenue for applications requiring non-volatility in spintronic devices. © 2014, AIP Publishing LLC
Simulations of atmospheric methane for Cape Grim, Tasmania, to constrain southeastern Australian methane emissions
Get PDFThis study uses two climate models and six scenarios of prescribed methane emissions to compare modelled and observed atmospheric methane between 1994 and 2007, for Cape Grim, Australia (40.7° S, 144.7° E). The model simulations follow the TransCom-CH4 protocol and use the Australian Community Climate and Earth System Simulator (ACCESS) and the CSIRO Conformal-Cubic Atmospheric Model (CCAM). Radon is also simulated and used to reduce the impact of transport differences between the models and observations. Comparisons are made for air samples that have traversed the Australian continent. All six emission scenarios give modelled concentrations that are broadly consistent with those observed. There are three notable mismatches, however. Firstly, scenarios that incorporate interannually varying biomass burning emissions produce anomalously high methane concentrations at Cape Grim at times of large fire events in southeastern Australia, most likely due to the fire methane emissions being unrealistically input into the lowest model level. Secondly, scenarios with wetland methane emissions in the austral winter overestimate methane concentrations at Cape Grim during wintertime while scenarios without winter wetland emissions perform better. Finally, all scenarios fail to represent a~methane source in austral spring implied by the observations. It is possible that the timing of wetland emissions in the scenarios is incorrect with recent satellite measurements suggesting an austral spring (September–October–November), rather than winter, maximum for wetland emissions. © Author(s) 2015
The thermodynamics of hydride precipitation: The importance of entropy, enthalpy and disorder
No full textThe precipitation of zirconium hydrides from Zr solid solution was investigated using first-principles lattice dynamics simulations. These included the temperature-dependent vibrational enthalpy and vibrational entropy combined with the configurational entropy terms. In contrast with previous approaches, it was found that the latent enthalpy alone is not sufficient to fully describe precipitation of hydrides; a full thermodynamic assessment is required. In particular, the vibrational enthalpy of precipitation assists in stabilizing hexagonal close-packed hydrides and is especially important in forming the metastable ζζ phase. The configurational entropy change during precipitation favours face-centred cubic hydrides. Given this, at concentrations below 300 ppm H, no hydride precipitation is predicted, suggesting that when hydrides are seen in those materials it is because the local concentration of H is greater than that measured globally. While γγ hydride is the most stable phase, it is very close in energy to the δδ phase. © 2014 Acta Materialia Inc
Estimation of force constants of Al from diffuse neutron scattering measurement
No full textNeutron diffraction measurement of an aluminum powder sample at 290 K was carried out at the high resolution powder diffractometer installed at JRR-3. Broad oscillations of the diffuse scattering intensity were observed and explained by the correlation effects among the thermal displacements of atoms. The interatomic force constants were determined from the correlation effects using a newly introduced equation. The derived force constants and the crystal structure of Al were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The calculated phonon dispersion relations and specific heat of Al are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively.© 2014, The Physical Society of Japan
Mass and elemental distributions of atmospheric particles nearby blast furnace and electric arc furnace operated industrial areas in Australia
No full textThe improved understanding of mass and elemental distributions of industrial air particles is important due to their heterogeneous atmospheric behaviour and impact on human health and the environment. In this study, particles of different size ranges were collected from three sites in Australia located in the vicinity of iron and steelmaking industries and one urban background site with very little industrial influence. In order to determine the importance of the type of industrial activity on the urban atmospheric quality, the industrial sites selected in this study were in the close proximity to two blast furnace operated and one electric arc furnace based steelmaking sites. The chemical compositions of the collected air particles were analysed using the proton induced X-ray emission (PIXE) technique. This study revealed significantly higher metal concentrations in the atmospheric particles collected in the industrial sites, comparing to the background urban site, demonstrating local influence of the industrial activities to the air quality. The modality types of the particles were found to be variable between the mass and elements, and among elements in the urban and industrial areas indicating that the elemental modal distribution is as important as particle mass for particle pollution modelling. The highest elemental number distribution at all studied sites occurred with particle size of 0.1 μm. Iron was found as the main dominant metal at the industrial atmosphere in each particle size range. The industrial Fe fraction in the submicron and ultrafine size particles was estimated at up to 95% which may be released from high temperature industrial activities with the iron and steelmaking industries being one of the major contributors. Hence, these industrial elemental loadings can highly influence the atmospheric pollution at local urban and regional levels and are required to consider in the atmospheric modelling settings. © 2014, Elsevier B.V
Characterization of porosity in sulfide ore minerals: A USANS/SANS study
No full textPorosity plays a key role in the formation and alteration of sulfide ore minerals, yet our knowledge of the nature and formation of the residual pores is very limited. Herein, we report the application of ultra-small-angle neutron scattering and small-angle neutron scattering (USANS/SANS) to assess the porosity in five natural sulfide minerals (violarite, marcasite, pyrite, chalcopyrite, and bornite) possibly formed by hydrothermal mineral replacement reactions and two synthetic sulfide minerals (violarite and marcasite) prepared experimentally by mimicking natural hydrothermal conditions. USANS/SANS data showed very different pore size distributions for these minerals. Natural violarite and marcasite tend to possess less pores in the small size range (<100 nm) compared with their synthetic counterparts. This phenomenon is consistent with a higher degree of pore healing or diagenetic compaction experienced by the natural violarite and marcasite. Surprisingly, nanometer-sized (<20 nm) pores were revealed for a natural pyrite cube from La Rioga, Spain, and the sample has a pore volume fraction of ~7.7%. Both chalcopyrite and bornite from the massive sulfide assemblage of the Olympic Dam deposit in Roxby Downs, South Australia, were found to be porous with a similar pore volume fraction (~15%), but chalcopyrite tends to have a higher proportion of nanometer-size pores centered at ~4 nm while bornite tends to have a broader pore size distribution. The specific surface area is generally low for these minerals ranging from 0.94 to 6.28 m2/g, and the surfaces are generally rough as surface fractal behavior was observed for all these minerals. This investigation has demonstrated that USANS/SANS is a very useful tool for analyzing porosity in ore minerals. We believe that with this quantified porosity information a deeper understanding of the complex fluid flow behavior within the porous minerals can be expected. © 2014, Mineralogical Society of America
Small-angle X-ray scattering of BAMLET at pH 12: A complex of α-lactalbumin and oleic acid
No full textBAMLET (Bovine Alpha-lactalbumin Made LEthal to Tumors) is a member of the family of the HAMLET-like complexes, a novel class of protein-based anti-cancer complexes that incorporate oleic acid and deliver it to cancer cells. Small angle X-ray scattering (SAXS) was performed on the complex at pH 12, examining the high pH structure as a function of oleic acid added. The SAXS data for BAMLET species prepared with a range of oleic acid concentrations indicate extended, irregular, partially unfolded protein conformations that vary with the oleic acid concentration. Increases in oleic acid concentration correlate with increasing radius of gyration without an increase in maximum particle dimension, indicating decreasing protein density. The models for the highest oleic acid content BAMLET indicate an unusual coiled elongated structure that contrasts with apo-α-lactalbumin at pH 12, which is an elongated globular molecule, suggesting that oleic acid inhibits the folding or collapse of the protein component of BAMLET to the globular form. Circular dichroism of BAMLET and apo-α-lactalbumin was performed and the results suggest that α-lactalbumin and BAMLET unfold in a continuum of increasing degree of unfolded states. Taken together, these results support a model in which BAMLET retains oleic acid by non-specific association in the core of partially unfolded protein, and represent a new type of lipoprotein structure. © 2014, Wiley Periodicals, Inc