http://journals.iucr.org/s/issues/2010/01/00/isscontsbdy.html Synchrotron radiation sources and their associated technologies have expanded at an extremely rapid rate during the past 20 years. Through the 1990s, many new synchrotron radiation sources have been constructed and exploited worldwide. The Journal of Synchrotron Radiation aims to provide a focus in this rapidly expanding area. The topics covered by the journal include source technology, instrumentation and techniques over all the spectral ranges relevant to synchrotron radiation research. It thus draws together the full breadth of interests and skills of the synchrotron radiation community. Contributions are invited within the general areas of instrumentation, methods and novel applications. The instrumentation topics include: synchrotron radiation sources and beamlines; optics; detectors; electronics and data acquisition; sample chambers and environment. The methods and applications topics are grouped within the following categories; diffraction; spectroscopy, imaging. en Copyright (c) 2010 International Union of Crystallography 2010-01-01 International Union of Crystallography International Union of Crystallography http://journals.iucr.org urn:issn:0909-0495 Synchrotron radiation sources and their associated technologies have expanded at an extremely rapid rate during the past 20 years. Through the 1990s, many new synchrotron radiation sources have been constructed and exploited worldwide. The Journal of Synchrotron Radiation aims to provide a focus in this rapidly expanding area. The topics covered by the journal include source technology, instrumentation and techniques over all the spectral ranges relevant to synchrotron radiation research. It thus draws together the full breadth of interests and skills of the synchrotron radiation community. Contributions are invited within the general areas of instrumentation, methods and novel applications. The instrumentation topics include: synchrotron radiation sources and beamlines; optics; detectors; electronics and data acquisition; sample chambers and environment. The methods and applications topics are grouped within the following categories; diffraction; spectroscopy, imaging. text/html Journal of Synchrotron Radiation, Volume 17, Part 1, 2010 text yearly 6 2002-01-01T00:00+00:00 1 17 2010-01-01 Copyright (c) 2010 International Union of Crystallography Journal of Synchrotron Radiation 1 urn:issn:0909-0495 med@iucr.org January 2010 2010-01-01 http://journals.iucr.org/logos/rss10s.gif http://journals.iucr.org/s/issues/2010/01/00/isscontsbdy.html Still image http://scripts.iucr.org/cgi-bin/paper?hi5604 In biological systems, X-ray absorption spectroscopy (XAS) can determine structural details of metal binding sites with high resolution. Here a method enabling an automated analysis of the corresponding EXAFS data is presented, utilizing in addition to least-squares refinement the prior knowledge about structural details and important fit parameters. A metal binding motif is characterized by the type of donor atoms and their bond lengths. These fit results are compared by bond valance sum analysis and target distances with established structures of metal binding sites. Other parameters such as the Debye–Waller factor and shift of the Fermi energy provide further insights into the quality of a fit. The introduction of mathematical criteria, their combination and calibration allows an automated analysis of XAS data as demonstrated for a number of examples. This presents a starting point for future applications to all kinds of systems studied by XAS and allows the algorithm to be transferred to data analysis in other fields. Copyright (c) 2010 International Union of Crystallography urn:issn:0909-0495 Wellenreuther, G. Parthasarathy, V. Meyer-Klaucke, W. 2009-11-14 doi:10.1107/S0909049509040576 International Union of Crystallography The combination of least-squares refinement with advanced criteria judging its quality enables an automated analysis of biological X-ray absorption spectroscopy data. en EXAFS BioXAS refinement metalloproteins ABRA automation In biological systems, X-ray absorption spectroscopy (XAS) can determine structural details of metal binding sites with high resolution. Here a method enabling an automated analysis of the corresponding EXAFS data is presented, utilizing in addition to least-squares refinement the prior knowledge about structural details and important fit parameters. A metal binding motif is characterized by the type of donor atoms and their bond lengths. These fit results are compared by bond valance sum analysis and target distances with established structures of metal binding sites. Other parameters such as the Debye–Waller factor and shift of the Fermi energy provide further insights into the quality of a fit. The introduction of mathematical criteria, their combination and calibration allows an automated analysis of XAS data as demonstrated for a number of examples. This presents a starting point for future applications to all kinds of systems studied by XAS and allows the algorithm to be transferred to data analysis in other fields. text/html Towards a black-box for biological EXAFS data analysis. II. Automatic BioXAS Refinement and Analysis (ABRA) text 1 17 2009-11-14 Copyright (c) 2010 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?ot5606 This work demonstrates the utility of synchrotron infrared reflectance microspectroscopy in the far- and mid-IR for the determination of the composition of electrogenerated surface films formed during the general and localized corrosion of copper in alkaline and bicarbonate solutions. Back-reflection geometry has been employed to identify the anodic film formed on copper in 0.1 M NaOH solution at 0.3 V (versus a Ag/AgCl reference) to be mainly CuO. In 0.01 M NaHCO3 solution general corrosion occurs with passive film formation below 0.2 V. The surface film at 0.2 V consisted mainly of bicarbonate, copper carbonate dihydroxide or malachite [CuCO3·Cu(OH)2], Cu(OH)2 and possibly some CuO. At higher potentials the passive film breaks down and localized corrosion occurs leading to the formation of pits. The composition of the surface films inside the pits formed at 0.6 V was found to be essentially the same as that outside but the relative amount of Cu(OH)2 appears to be higher. Copyright (c) 2010 International Union of Crystallography urn:issn:0909-0495 Hahn, F. Melendres, C.A. 2009-11-14 doi:10.1107/S0909049509040680 International Union of Crystallography The utility of synchrotron infrared reflectance microspectroscopy in the far- and mid-IR for the determination of the composition of electrogenerated surface films formed during the general and localized corrosion of copper in alkaline and bicarbonate solutions is demonstrated. en infrared microspectroscopy copper corrosion in bicarbonate film formation and breakdown pitting This work demonstrates the utility of synchrotron infrared reflectance microspectroscopy in the far- and mid-IR for the determination of the composition of electrogenerated surface films formed during the general and localized corrosion of copper in alkaline and bicarbonate solutions. Back-reflection geometry has been employed to identify the anodic film formed on copper in 0.1 M NaOH solution at 0.3 V (versus a Ag/AgCl reference) to be mainly CuO. In 0.01 M NaHCO3 solution general corrosion occurs with passive film formation below 0.2 V. The surface film at 0.2 V consisted mainly of bicarbonate, copper carbonate dihydroxide or malachite [CuCO3·Cu(OH)2], Cu(OH)2 and possibly some CuO. At higher potentials the passive film breaks down and localized corrosion occurs leading to the formation of pits. The composition of the surface films inside the pits formed at 0.6 V was found to be essentially the same as that outside but the relative amount of Cu(OH)2 appears to be higher. text/html Synchrotron infrared reflectance microspectroscopy study of film formation and breakdown on copper text 1 17 2009-11-14 Copyright (c) 2010 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?hi5602 A number of commercially available waxes in the form of thin disc samples have been investigated as possible diffraction intensity standards for macromolecular crystallography synchrotron beamlines. Synchrotron X-ray powder diffraction measurements show that beeswax offers the best performance of these waxes owing to its polycrystallinity. Crystallographic lattice parameters and diffraction intensities were examined between 281 and 309 K, and show stable and predictable thermal behaviour. Using an X-ray beam of known incident flux at λ = 1 Å, the diffraction power of two strong Bragg reflections for beeswax were quantified as a function of sample thickness and normalized to 1010 photons s−1. To demonstrate its feasibility as a diffraction intensity standard, test measurements were then performed on a new third-generation macromolecular crystallography synchrotron beamline. Copyright (c) 2010 International Union of Crystallography urn:issn:0909-0495 Brandao-Neto, J. Thompson, S.P. Lennie, A.R. Ferreira, F.F. Tang, C.C. 2009-11-14 doi:10.1107/S0909049509040709 International Union of Crystallography The use of wax is proposed as an intensity reference for macromolecular crystallography beamlines. Examination of synthetic and natural waxes using diffraction showed beeswax to be suitable for this purpose. Beeswax standards were then prepared, calibrated, their scattering properties characterized and their use on a new macromolecular crystallography beamline demonstrated. en beeswax macromolecular crystallography MX intensity standard synchrotron powder diffraction A number of commercially available waxes in the form of thin disc samples have been investigated as possible diffraction intensity standards for macromolecular crystallography synchrotron beamlines. Synchrotron X-ray powder diffraction measurements show that beeswax offers the best performance of these waxes owing to its polycrystallinity. Crystallographic lattice parameters and diffraction intensities were examined between 281 and 309 K, and show stable and predictable thermal behaviour. Using an X-ray beam of known incident flux at λ = 1 Å, the diffraction power of two strong Bragg reflections for beeswax were quantified as a function of sample thickness and normalized to 1010 photons s−1. To demonstrate its feasibility as a diffraction intensity standard, test measurements were then performed on a new third-generation macromolecular crystallography synchrotron beamline. text/html Characterization of wax as a potential diffraction intensity standard for macromolecular crystallography beamlines text 1 17 2009-11-14 Copyright (c) 2010 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?ie5030 The coupling and propagation of electromagnetic waves through planar X-ray waveguides (WG) with vacuum gap and Si claddings are analyzed in detail, starting from the source and ending at the detector. The general case of linearly tapered WGs (i.e. with the entrance aperture different from the exit one) is considered. Different kinds of sources, i.e. synchrotron radiation and laboratory desk-top sources, have been considered, with the former providing a fully coherent incoming beam and the latter partially coherent beams. It is demonstrated that useful information about the parameters of the WG can be derived, comparing experimental results with computer simulation based on analytical solutions of the Helmholtz equation which take into account the amplitude and phase matching between the standing waves created in front of the WG, and the resonance modes propagating into the WG. Copyright (c) 2010 International Union of Crystallography urn:issn:0909-0495 Bukreeva, I. Pelliccia, D. Cedola, A. Scarinci, F. Ilie, M. Giannini, C. De Caro, L. Lagomarsino, S. 2009-11-14 doi:10.1107/S0909049509038515 International Union of Crystallography The propagation of electromagnetic waves through planar tapered X-ray waveguides has been analyzed, comparing experimental results with computer simulations. en X-ray waveguides coherent X-rays X-ray standing waves X-ray optics The coupling and propagation of electromagnetic waves through planar X-ray waveguides (WG) with vacuum gap and Si claddings are analyzed in detail, starting from the source and ending at the detector. The general case of linearly tapered WGs (i.e. with the entrance aperture different from the exit one) is considered. Different kinds of sources, i.e. synchrotron radiation and laboratory desk-top sources, have been considered, with the former providing a fully coherent incoming beam and the latter partially coherent beams. It is demonstrated that useful information about the parameters of the WG can be derived, comparing experimental results with computer simulation based on analytical solutions of the Helmholtz equation which take into account the amplitude and phase matching between the standing waves created in front of the WG, and the resonance modes propagating into the WG. text/html Analysis of tapered front-coupling X-ray waveguides text 1 17 2009-11-14 Copyright (c) 2010 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?kv5071 An energy-dispersive X-ray absorption spectroscopy beamline mainly dedicated to X-ray magnetic circular dichroism (XMCD) and material science under extreme conditions has been implemented in a bending-magnet port at the Brazilian Synchrotron Light Laboratory. Here the beamline technical characteristics are described, including the most important aspects of the mechanics, optical elements and detection set-up. The beamline performance is then illustrated through two case studies on strongly correlated transition metal oxides: an XMCD insight into the modifications of the magnetic properties of Cr-doped manganites and the structural deformation in nickel perovskites under high applied pressure. Copyright (c) 2010 International Union of Crystallography urn:issn:0909-0495 Cezar, J.C. Souza-Neto, N.M. Piamonteze, C. Tamura, E. Garcia, F. Carvalho, E.J. Neueschwander, R.T. Ramos, A.Y. Tolentino, H.C.N. Caneiro, A. Massa, N.E. Martinez-Lope, M.J. Alonso, J.A. Itié, J.-P. 2009-11-17 doi:10.1107/S0909049509041119 International Union of Crystallography The energy-dispersive X-ray absorption spectroscopy beamline of the Brazilian Synchrotron Light Laboratory has been described and its potentiality as a tool for material science investigation has been demonstrated. en XAS XMCD high pressure An energy-dispersive X-ray absorption spectroscopy beamline mainly dedicated to X-ray magnetic circular dichroism (XMCD) and material science under extreme conditions has been implemented in a bending-magnet port at the Brazilian Synchrotron Light Laboratory. Here the beamline technical characteristics are described, including the most important aspects of the mechanics, optical elements and detection set-up. The beamline performance is then illustrated through two case studies on strongly correlated transition metal oxides: an XMCD insight into the modifications of the magnetic properties of Cr-doped manganites and the structural deformation in nickel perovskites under high applied pressure. text/html Energy-dispersive X-ray absorption spectroscopy at LNLS: investigation on strongly correlated metal oxides text 1 17 2009-11-17 Copyright (c) 2010 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?hf5167 The possibility of splitting a thin (e.g. undulator) X-ray beam based on diffraction–refraction effects is discussed. The beam is diffracted from a crystal whose diffracting surface has the shape of a roof with the ridge lying in the plane of diffraction. The crystal is cut asymmetrically. One half of the beam impinges on the left-hand part of the roof and the other half impinges on the right-hand side of the roof. Owing to refraction the left part of the beam is deviated to the left whereas the right part is deviated to the right. The device proposed consists of two channel-cut crystals with roof-like diffraction surfaces; the crystals are set in a dispersive position. The separation of the beams after splitting is calculated at a distance of 10 m from the crystals for various asymmetry and inclination angles. It is shown that such a splitting may be utilized for long beamlines. Advantages and disadvantages of this method are discussed. Copyright (c) 2010 International Union of Crystallography urn:issn:0909-0495 Hrdý, J. 2009-11-17 doi:10.1107/S090904950904240X International Union of Crystallography The possibility of splitting a thin (e.g. undulator) X-ray beam based on diffraction–refraction effects is discussed. The beam is diffracted from a crystal whose diffracting surface has the shape of a roof with the ridge lying in the plane of diffraction. en X-ray monochromator X-ray splitter The possibility of splitting a thin (e.g. undulator) X-ray beam based on diffraction–refraction effects is discussed. The beam is diffracted from a crystal whose diffracting surface has the shape of a roof with the ridge lying in the plane of diffraction. The crystal is cut asymmetrically. One half of the beam impinges on the left-hand part of the roof and the other half impinges on the right-hand side of the roof. Owing to refraction the left part of the beam is deviated to the left whereas the right part is deviated to the right. The device proposed consists of two channel-cut crystals with roof-like diffraction surfaces; the crystals are set in a dispersive position. The separation of the beams after splitting is calculated at a distance of 10 m from the crystals for various asymmetry and inclination angles. It is shown that such a splitting may be utilized for long beamlines. Advantages and disadvantages of this method are discussed. text/html Diffractive–refractive optics: X-ray splitter text 1 17 2009-11-17 Copyright (c) 2010 International Union of Crystallography Journal of Synchrotron Radiation short communications 0 0