433 research outputs found
Study of charge state of polarization domain walls in organic ferroelectric 2-methylbenzimidazole crystals
The work is supported by the RFBR grant № 16-02-00399
Rare earth contributions to the X-ray magnetic circular dichroism at the Co K edge in rare earth-cobalt compounds investigated by multiple-scattering calculations
The X-ray magnetic circular dichroism (XMCD) has been measured at the Co K
edge in Co-hcp and R-Co compounds (R=La, Tb, Dy). The structure of the
experimental XMCD spectra in the near-edge region has been observed to be
highly sensitive to the magnetic environment of the absorbing site.
Calculations of the XMCD have been carried out at the Co K edge in Co metal,
LaCo and TbCo within the multiple-scattering framework including the
spin-orbit coupling. In the three systems, the XMCD spectra in the near-edge
region are well reproduced. The possibility to separate and quantitatively
estimate the local effects from those due to the neighboring atoms in the XMCD
cross section makes possible a more physical understanding of the spectra. The
present results emphasize the major role played by the states of the Tb
ions in the XMCD spectrum at the Co K edge in the TbCo compound.Comment: 34 pages, revtex, 10 eps figures included with epsf, after referee
revie
X-ray Absorption Near-Edge Structure calculations with pseudopotentials. Application to K-edge in diamond and alpha-quartz
We present a reciprocal-space pseudopotential scheme for calculating X-ray
absorption near-edge structure (XANES) spectra. The scheme incorporates a
recursive method to compute absorption cross section as a continued fraction.
The continued fraction formulation of absorption is advantageous in that it
permits the treatment of core-hole interaction through large supercells
(hundreds of atoms). The method is compared with recently developed
Bethe-Salpeter approach. The method is applied to the carbon K-edge in diamond
and to the silicon and oxygen K-edges in alpha-quartz for which polarized XANES
spectra were measured. Core-hole effects are investigated by varying the size
of the supercell, thus leading to information similar to that obtained from
cluster size analysis usually performed within multiple scattering
calculations.Comment: 11 pages, 4 figure
Spectroscopic and Mechanistic Studies of Heterodimetallic Forms of Metallo-β-lactamase NDM-1
In an effort to characterize the roles of each metal ion in metallo-β-lactamase NDM-1, heterodimetallic analogues (CoCo-, ZnCo-, and CoCd-) of the enzyme were generated and characterized. UV–vis, 1H NMR, EPR, and EXAFS spectroscopies were used to confirm the fidelity of the metal substitutions, including the presence of a homogeneous, heterodimetallic cluster, with a single-atom bridge. This marks the first preparation of a metallo-β-lactamase selectively substituted with a paramagnetic metal ion, Co(II), either in the Zn1 (CoCd-NDM-1) or in the Zn2 site (ZnCo-NDM-1), as well as both (CoCo-NDM-1). We then used these metal-substituted forms of the enzyme to probe the reaction mechanism, using steady-state and stopped-flow kinetics, stopped-flow fluorescence, and rapid-freeze-quench EPR. Both metal sites show significant effects on the kinetic constants, and both paramagnetic variants (CoCd- and ZnCo-NDM-1) showed significant structural changes on reaction with substrate. These changes are discussed in terms of a minimal kinetic mechanism that incorporates all of the data
Wintertime phytoplankton bloom in the subarctic Pacific supported by continental margin iron
Author Posting. © American Geophysical Union, 2006. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Global Biogeochemical Cycles 20 (2006): GB1006, doi:10.1029/2005GB002557.Heightened biological activity was observed in February 1996 in the high-nutrient low-chlorophyll (HNLC) subarctic North Pacific Ocean, a region that is thought to be iron-limited. Here we provide evidence supporting the hypothesis that Ocean Station Papa (OSP) in the subarctic Pacific received a lateral supply of particulate iron from the continental margin off the Aleutian Islands in the winter, coincident with the observed biological bloom. Synchrotron X-ray analysis was used to describe the physical form, chemistry, and depth distributions of iron in size fractionated particulate matter samples. The analysis reveals that discrete micron-sized iron-rich hot spots are ubiquitous in the upper 200 m at OSP, more than 900 km from the closest coast. The specifics of the chemistry and depth profiles of the Fe hot spots trace them to the continental margins. We thus hypothesize that iron hot spots are a marker for the delivery of iron from the continental margin. We confirm the delivery of continental margin iron to the open ocean using an ocean general circulation model with an iron-like tracer source at the continental margin. We suggest that iron from the continental margin stimulated a wintertime phytoplankton bloom, partially relieving the HNLC condition.This work was
supported by the U.S. Department of Energy, Office of Science, Office of
Biological and Environmental Research (KP1202030) to J. K. B and by
NSFATM-9987457 to I. F. The Advanced Light Source is supported by the
Director, Office of Science, Office of Basic Energy Sciences, Division of
Materials Sciences and Division of Chemical Sciences, Geosciences, and
Biosciences of the U.S. Department of Energy at Lawrence Berkeley
National Laboratory under contract DE-AC03-76SF00098
Novel catalytically active pd/Ru bimetallic nanoparticles synthesized by Bacillus benzeovorans
This work was supported by a UK Commonwealth scholarship to JBO. BK was supported by the Petroleum Technology Development Funds (PTDF) of Nigeria. The project was funded by NERC grant NE/L014076/1 to LEM. The Science City Photoemission Facility used in this research was funded through the Science Cities Advanced Materials Project 1: Creating and Characterizing Next Generation of Advanced Materials with support from AWM and ERDF funds. The microscopy work was conducted in the “Laboratorio de Microscopias Avanzadas” at “Instituto de Nanociencia de Aragon - Universidad de Zaragoza” Spain. The authors acknowledge the LMA-INA for offering access to their instruments and expertise.Bacillus benzeovorans assisted and supported growth of ruthenium (bio-Ru) and palladium/ruthenium (bio-Pd@Ru) core@shell nanoparticles (NPs) as bio-derived catalysts. Characterization of the bio-NPs using various electron microscopy techniques and high-angle annular dark field (HAADF) analysis confirmed two NP populations (1–2 nm and 5–8 nm), with core@shells in the latter. The Pd/Ru NP lattice fringes, 0.231 nm, corresponded to the (110) plane of RuO2. While surface characterization using X-ray photoelectron spectroscopy (XPS) showed the presence of Pd(0), Pd(II), Ru(III) and Ru(VI), X-ray absorption (XAS) studies of the bulk material confirmed the Pd speciation (Pd(0) and Pd(II)- corresponding to PdO), and identified Ru as Ru(III) and Ru(IV). The absence of Ru–Ru or Ru–Pd peaks indicated Ru only exists in oxide forms (RuO2 and RuOH), which are surface-localized. X ray diffraction (XRD) patterns did not identify Pd-Ru alloying. Preliminary catalytic studies explored the conversion of 5-hydroxymethyl furfural (5-HMF) to the fuel precursor 2,5-dimethyl furan (2,5-DMF). Both high-loading (9.7 wt.% Pd, 6 wt.% Ru) and low-loading (2.4 wt.% Pd, 2 wt.% Ru) bio-derived catalysts demonstrated high conversion efficiencies (~95%) and selectivity of ~63% (~20% better than bio-Ru NPs) and 58%, respectively. These materials show promising future scope as efficient low-cost biofuel catalysts.Funded by NERC grant NE/L014076/
Pressure-induced amorphous-to-amorphous configuration change in Ca-Al metallic glasses
Pressure-induced amorphous-to-amorphous configuration changes in Ca-Al metallic glasses (MGs) were studied by performing in-situ room-temperature high-pressure x-ray diffraction up to about 40 GPa. Changes in compressibility at about 18 GPa, 15.5 GPa and 7.5 GPa during compression are detected in Ca80Al20, Ca72.7Al27.3, and Ca66.4Al33.6 MGs, respectively, whereas no clear change has been detected in the Ca50Al50 MG. The transfer of s electrons into d orbitals under pressure, reported for the pressure-induced phase transformations in pure polycrystalline Ca, is suggested to explain the observation of an amorphous-to-amorphous configuration change in this Ca-Al MG system. Results presented here show that the pressure induced amorphous-to-amorphous configuration is not limited to f electron-containing MGs
Comparison of the Local Order in Highly Oriented Pyrolitic Graphite and Bundles of Single-Wall Carbon Nanotubes by Nanoscale Extended Energy Loss Spectra
Arsenic Transformation and Volatilization during Incineration of the Hyperaccumulator Pteris vittata
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