Conferences/Workshops/Seminars

Last modified 2014-02-04 by


Here is a list of conferences/workshops/seminars with contributions in English in the past.

Seminars

<13-18>

Title Photoelectron Spectroscopy from Aqueous Solution - Probing Molecules in their Natural Environment
Lecturer Dr. Stephan Thürmer (Chiba University)
Date 13:30 on February 4th (Tue.), 2014
Place PF Kenkyu-to 2F Kaigi-shitsu
Abstract The technique of liquid-microjet photoelectron (PE) spectroscopy has become an emerging field to study electronic structure of chemical, biological, or atmospheric relevant aqueous solutions, and this includes chemical-reaction products as well as high-energy radiation induced damage via secondary ionization and free electrons. The latest results and ongoing research topics of X-ray PE spectroscopy from liquid water and aqueous solution will be presented.
After a short overview of the current directions in the field, the first topic will cover the recent study on non-local relaxation processes after core-level ionization. Relaxation dynamics is revealed from resonant photoelectron spectroscopy measurements. For neat liquid water we find a unique de-excitation channel, involving core-hole delocalization, which is a signature of energy and charge transfer to a neighbor water molecule. In particular, the role of nuclear motion during decay, depending on the bonding structure, will be discussed. By comparing of results from H2O(aq) and D2O(aq) the recently described proton-transfer mediated (PTM) change separation process[1] is introduced, and then expanded to other molecules with the ability to form hydrogen bonds in solution.
The second part of the talk concentrates on photoelectron angular distribution (PAD) and electron scattering, which is closely related to probing depth. PE spectroscopy is well suited for determining solute density profiles across the liquid interface. However, correlation between measured signal and solute abundance is complicated, since important parameters, like ionization cross sections and PADs for ions and molecules but also accurate electron scattering cross sections in solution, are not known. First core-level PADs from liquid water and aqueous solution at a wide range of photon energies are reported. Although emission anisotropy is reduced compared to gas phase, PADs are found to not become fully isotropic, which in turn can be utilized to extract electron scattering ratios in the liquid[2]. Future applications and implications for interfacial depth-profile studies are discussed.

REFERENCES
[1] S. Thürmer, M. Ončák, N. Ottosson, R. Seidel, U. Hergenhahn, S. E. Bradforth, P. Slavíček, B. Winter; Nat. Chem. 5: 590-596 (2013)
[2] S. Thürmer, R. Seidel, M. Faubel, W. Eberhardt, J. C. Hemminger, S. E. Bradforth, B. Winter; Phys. Rev. Lett. 111, 173005 (2013)

<13-14>

Title In-situ XAS, RIXS and TXM experiments
Lecturer Prof. Dr. Frank de Groot(Synchrotron and Theoretical Spectroscopy Debye Institute of Nanomaterials Science Utrecht University)
Date 10:00 on November 28th (Thu.), 2013
Place 4-go-kan 2F Rinko-shitsu

Abstract

New developments in in-situ x-ray absorption (XAS), transmission x-ray microscopy (TXM) and resonant inelastic x-ray scattering (RIXS) will be discussed. First a brief introduction is given of x-ray absorption spectroscopy, including the multiplet interpretation of XAS spectral shapes [1,2].

Nanoscale chemical imaging of catalysts under working conditions is possible with Transmission X-ray Microscopy. We have shown that TXM can image a catalytic system under relevant reaction conditions and provides detailed information on the morphology and composition of the catalyst material in situ [3]. The 20 nanometer resolution combined with powerful chemical speciation by XAS and the ability to image materials under reaction conditions opens up new opportunities to study many chemical processes. I will discuss the present status of in-situ TXM, with an emphasis on the abilities of the 10+ nm resolution TXM technique in comparison with 0.1 nm STEM-EELS [4,5]. Hard X-ray TXM allows the measurement of chemical images and tomographs under more realistic conditions, using a capillary reactor at 10 bar Fischer-Tropsch conditions [6].

The last part of the talk deals with resonant inelastic x-ray scattering (RIXS), In 2p3d RIXS one scans through the 2p XAS edge and measures the optical excitation range. As an example, the RIXS spectra of CoO will be discussed. The experimental resolution of 100 meV at ADRESS allows the detailed observation of the electronic structure. First-principle theoretical modelling was performed for the ground state and multiplet analysis for the RIXS experiments. The implications for measurements on coordination compounds (cobalt carboxylates) and cobalt nanoparticles is discussed, in particular the comparison with optical spectroscopy [7]. Related to the RIXS measurements is the analysis of Fluorescence yield (FY) detected x-ray absorption spectra (XAS), including the intrinsic deviations of  FY-XAS spectral shape from the XAS spectrum [8,9].

REFERENCES

  1. Core Level Spectroscopy of Solids
    Frank de Groot and Akio Kotani (Taylor & Francis CRC press, 2008)
  2. Download the x-ray spectroscopy simulation software at  http://www.anorg.chem.uu.nl/CTM4XAS/
  3. E. de Smit et al. Nature 456, 222 (2008).
  4. F.M.F. de Groot et al. ChemPhysChem 11, 951 (2010);
  5. M. van Schooneveld et al. Nature Nanotechnology  5, 538 (2010)
  6. I. Gonzalez-Jimenez et al. Angew. Chem. 124 12152 (2012)
  7. M. van Schooneveld et al.  Angew. Chem. 52, 1170 (2012)
  8. R. Kurian, et al. J. Phys. Cond. Matt. 24, 452201 (2012)
  9. F.M.F. de Groot, Nature Chemistry 4, 766 (2012)


Abstract <PDF>

<13-13>

Title Opportunities and challenges at the Carbon edge: nano-morphological characterization of organic photovoltaic thin films using soft x-rays
Lecturer Dr. Sufal SWARAJ (Synchrotron SOLEIL FRANCE)
Date 17:00 on November 5th (Tue.), 2013
Place 4-go-kan 2F Rinko-shitsu
Abstract Continuing research in the field of organic photovoltaics has imposed intense requirements on modern morphological characterization techniques. Such studies at the nanometer scale of these materials are becoming as important as their various optical and electronic studies. I will present how a multi‐method approach using several soft x-ray based characterization techniques can be used to disentangle surface, bulk, interfacial and orientation information in these materials. I will be focusing on Scanning Transmission X-ray Microscopy (STXM), Resonant Soft X-ray scattering (RSoXS), Resonant Soft X-ray Reflectivity (RSoXR) and Polarized Resonant Soft X-ray Scattering (P‐RSoXS). While STXM is quite well established for such investigations [1], some interesting strategies [2,3] can be employed to use RSoXS, RSoXR and P-RSoXS near the Carbon K-edge to study these materials. I will show some examples to demonstrate these investigation strategies. I will briefly discuss some of the issues like sample damage and Carbon contamination that one encounters while working at the Carbon edge. In addition, I will briefly describe the beamlines (HERMES & SEXTANTS) at synchrotron SOLEIL where these investigations can be performed.

REFERENCES
1. McNeill,C.R., J.Polymer Sci.B 49, 909-919 (2011).
2. Swaraj,S. et al. NanoLett. 10, 2863-2869 (2010).
3. Collins B.A. et al. R.T. Wang, Nature materials, DOI:10.1038/NMAT3310.

<13-11>

Title XXXL Solutions for specialty applications Or how to meet your high efficiency Gamma & X-ray detection requirements
Lecturer Dr. Marie-Odile LAMPERT (CANBERRA France)
Date 10:00 on Septrmber 3rd (Tue.), 2013
Place PF Kenkyu-to 2F Kaigi-shitsu
Abstract Introduction of special Gamma and X-ray detectors developped by CANBERRA

<13-10>

Title The Stabilities of Orbital Ordering & Orbital Selective Mott Phase in the Parent Phases of Ironpnitide Superconductors
Lecturer Dr. Liang-Jian Zou (Institute of Solid State Physics, Chinese Academy of Sciences)
Date 15:30 on August 12th (Mon.), 2013
Place PF Kenkyu-to 2F Kaigi-shitsu
Abstract The orbital degree of freedom and electronic correlation play crucial role on the magnetic order and superconducting pairing in ironpnitide superconductors. In this talk, I will first illustrate that the orbital ordering and striped antiferromagnetism in the parent phase of LaOFeAs are closely related to a tetragonal-orthorhombic structural phase transition. The electron-lattice coupling, incorporating with intermediate electron correlation, stabilizes not only the ferro-orbital order and the spin-density-wave state, but also the small magnetic moment in the orthorhombic phase. Further, in studying the evolution of magnetic configurations with band fillings, we find that the ground state phase diagram of KxFe2-ySe2 compounds, besides the striped antiferromagnetic metal, a Neel antiferromagnetic metal without orbital ordering is observed, and an orbital selective Mott transition accompanied by an intermediate-spin to high-spin transition is also found. This gives a possible scenario of the orbital selective Mott phase in KxFe2-ySe2. These results demonstrate that the band filling, electron correlation and lattice distortion control the Fermi surface topology, electronic state and magnetism of ironpnitide superconductors.

<13-09>

Title Spin Excitations in Overdoped Ba(Fe1-xCox)2As2
Lecturer Dr. Andrew Christianson (Oak Ridge National Laboratory)
Date 16:00 on August 2nd (Fri.), 2013
Place 4-go-kan 2F Rinko-shitsu 1
Abstract The relationship between spin excitations and unconventional superconductivity has been and continues to be the subject of considerable experimental and theoretical scrutiny. While the underdoped and optimally doped regions of the phase diagrams of unconventional superconductors have been extensively studied there have been few studies of the spin excitations in the overdoped region. Here we report an inelastic neutron scattering study of an overdoped sample of the unconventional superconductor Ba(Fe1-xCox)2As2 with x=0.11 and TC = 12 K. At energies below 40 meV the spin excitations are much broader and weaker when compared to samples close to optimal doping. Despite the weakness of the spin excitations a broad spin resonance is still observed at an energy of ~6.5 meV at the wave vector (0.5 0.5 0). This corresponds to a value of 6.5 KBTC which is substantially larger than the value of 4.5 KBTC found for many Fe-based superconductors. Above 40 meV well defined spin excitations are observed which extend to energies at least as high 300 meV. This energy scale equals or surpasses the energy scale of the spin excitations previously observed in the parent compound BaFe2As2. This work demonstrates that strong spin excitations extend well into the overdoped region of the phase diagram and are available as a source of pairing within a spin fluctuation mediated picture.

<13-04>

Title Measurement of Topological Structure in Amorphous Solids using Coherent Diffraction
Lecturer Dr. J. Murray Gibson (Department of Physics, Northeastern University)
Date 13:30 on June 14th (Fri.), 2013
Place 4-go-kan 2F Rinko-shitsu 1
Abstract Glasses and other amorphous solids are widely used for their mechanical, optical and electronic properties, yet the correlation between properties and structure is poorly understood. One missing link is “medium-range-order” (MRO) which often arises from topological atomic structure. While important to properties, MRO has been notoriously hard to study because conventional diffraction gives only short-range order. Using coherent diffraction techniques such as Fluctuation Electron Microscopy (FEM) [1], this problem can be solved. We describe the techniques and its applications to amorphous semiconductors in detail. The use of transmission electron diffraction and x-ray diffraction is discussed. We also review some other applications, including the promise of FEM’s use in studying partially-ordered organic and biological systems.

[1] Gibson, J. M.; Treacy, M. M. J.; Sun, T.; et al., Phys. Rev. Lett., 105, 125504 (2012).

<13-02>

Title Dynamic Crystallography with Time Resolution from Infinity to Sub-X-ray-bunch
Lecturer

Zhong Ren (Center for Advanced Radiation Sources, The University of Chicago)

Date 13:30- on April 12th (FRI.), 2013
Place 4-go-kan 2F Rinko-shitsu 1
Abstract In this post genomics era, protein crystallography is gaining an extra dimension as it develops into dynamic crystallography. Along this dimension, a desired control parameter is varied to initiate a reaction, to stimulate a response, or to perturb a structure from its steady state. In the meanwhile, a sequence of ever-evolving structures is monitored to gain mechanistic insights into the working machinery of a protein. Although this is very much a forward-looking description of protein crystallography in the foreseeable future, a few recent examples have already strived to move in the right direction. Some of the chief difficulties have been overcome; others are being worked on. Nearly 300 tetrameric hemoglobin structures are accumulated in the Protein Data Bank (PDB) since the conception of protein crystallography. Although none of these static structures is associated with an experimental time resolution, the entire collection encapsulates functional dynamics along an extensive reaction pathway.

I will discuss a meta-analysis of PDB that results in a reverse engineered cooperative mechanical device. Time-resolved experiments with ultrafast time resolution aim at filling the gap revealed by the meta-analysis. The experimental time resolution of 100 ps limited by the pulse length of a circular synchrotron X-ray source is challenged by a new strategy of placing a much shorter laser pump pulse within the X-ray probe pulse. I will also demonstrate that an asymmetric state of an invertebrate hemoglobin communicates structural signal for cooperative oxygen binding, and the ultrafast structural responses to ligand photodissociation that lead towards the crucial intermediate state.

references:
(1) Z. Ren, P.W.Y. Chan, K. Moffat, E.F. Pai, W.E. Royer Jr., V. Šrajer & X. Yang,
Resolution of structural heterogeneity in dynamic crystallography, Acta Cryst. D, in press, 2013.
(2) Z. Ren, V. Šrajer, J.E. Knapp & W.E. Royer,
Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures, Proc. Natl. Acad. Sci. USA 109, 107-112, 2012.
(3) X. Yang, Z. Ren, J. Kuk & K. Moffat,
Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophytochrome, Nature 479, 428-432, 2011.
(4) T. Graber, P. Anfinrud, H. Brewer, Y.-S. Chen, H.-S. Cho, N. Dashdorj, R.W. Henning, I. Kosheleva, G. Macha, M. Meron, R. Pahl, Z. Ren, S. Ruan, F. Schotte, V. Šrajer, P.J. Viccaro, F. Westferro & K. Moffat,
BioCARS: a synchrotron resource for time-resolved X-ray science, J. Synchrotron Rad. 18, 658-670, 2011.

<13-01>

Title In Search of the Best Synchrotron Facility for Multi-Edge X-ray Absorption Spectroscopy: Electronic Structure from XANES and Geometric Structure from EXAFS
Lecturer

Robert K. Szilagyi (Department of Chemistry and Biochemistry, Montana State University)

Date 13:30- on April 9th (TUE.), 2013
Place 4-go-kan 2F Rinko-shitsu 1
Abstract Multi-edge X-ray Absorption Spectroscopy is a powerful approach to obtain direct experimental information about the electronic and geometric structures of transition metal complexes with unoccupied d-orbital manifolds. X-ray Absorption Near Edge Spectroscopic measurements and molecular orbital-based analysis of pre-edge and rising-edge features can provide information about the orbital contribution and effective nuclear charge of an absorber. These are key electronic structural informations to define quantitatively the degree of covalent and ionic interactions involving the absorber. Data obtained in the energy range of hard, tender, and soft X-rays provide metal p, ligand p and metal d for third row main group elements and second row transition metals, and metal d and ligand p for first row transition metals and second row main group elements, respectively. The multi-edge Extended Absorption Fine Structure analysis has the potential to define atomic positional coordinates for non-crystalline samples with accuracy that is comparable to small molecule crystallography.

The presentation will highlight case studies to demonstrate the power of using multi-edge XAS measurements through examples obtained from the beamlines of Stanford Synchrotron Radiation Lightsource in Menlo Park CA, Advanced Light Source in Berkeley CA, Synchrotron Research Center in Stoughton WI, and the Canadian Light Source in Saskatoon Canada. Transition metal complexes studied will include biomimetic compounds of FeFe-hydrogenase metalloenzyme, non-innocent Cu and Ni pincer type complexes, precatalysts for Pd-based homogeneous organometallic reactions.

Key references:
Rokhsana D., Howells A.E., Dooley D.M., Szilagyi R.K.:
Role of the Tyr-Cys Cross-link to the Active Site Properties of
Galactose Oxidase
Inorganic Chemistry, 2012, 51(6), 3513-3524

Giles L.J., Grigoropoulos A., Szilagyi R.K.:
Multi-Edge X-Ray Absorption Spectroscopy Part I: XANES Analysis of a
Biomimetic Model of FeFe-Hydrogenase
Journal of Physical Chemistry A, 2012, 116(50), 12280-12298

Queen M.S., Towey B.D., Murray K.A., Veldkamp B.S., Byker H.J., Szilagyi R.K.:
Electronic Structure of [Ni(II)S4] Complexes from S K-edge X-ray
Absorption Spectroscopy
Coordination Chemistry Reviews, 2013, 257(2), 564-578

Mossin S., Tran B.L., Adhikari D., Pink M., Heinemann F.W., Sutter J.,
Szilagyi RK, Meyer K., Mindiola D.J.
A Mononuclear Fe(III) Single Molecule Magnet with a 3/2 <-> 5/2 spin crossover
The Journal of American Chemical Society, 2012, 134(33), 13651-13661

<12-28>

Title Investigation of deformation twinning in Mg alloys; combined in situ neutron diffraction and acoustic emission
Lecturer

Dr. Ondrej Muransky (ANSTO)

Date 16:30 on Novemeber 21st (WED.), 2012
Place 4-go-kan 2F Rinko-shitsu 1
Abstract The in situ neutron diffraction and in situ acoustic emission were used in a single in situ experiment in order to study deformation twinning in two ZM20 Mg alloys with significantly different grain sizes at room temperature. The combination of these two techniques enables the distinction between twin nucleation and twin growth. It is shown, that yielding and immediate post-yielding plasticity in compression along the extrusion direction is governed primarily by twin nucleation, whereas the plasticity at higher strains is governed by twin growth and dislocation slip. It is further shown that the collaborative twin nucleation dominates yielding in the fine-grained alloy whereas twin nucleation in the coarse-grained alloy is rather progressive and is happing over a larger strain range. Additionally, it is shown that despite the increasing stress required for twinning with the decreasing grain size, roughly the same overall volume fraction of twins is formed in the fine and coarse parent grains. This confirms the difficultness of the alternative deformation modes and it shows a very limited suppressing effect of grain size on twinning in the case of strongly textured fine-grained Mg alloy.

<12-22>

Title New Facilities for Australian Research: The Australian Synchrotron and the OPAL Research Reactor
Lecturer Dr. Richard F. Garrett* (Senior Advisor, Synchrotron Science at the Australian Nuclear Science and Technology Organisation (ANSTO))
Date 16:00 on September 28th (FRI.), 2012
Place 4-go-kan 2F Rinko-shitsu 1
Abstract

The last 5 years have seen unprecedented new opportunities for Australian science with the opening of two world class major user facilities: the Australian Synchrotron and the OPAL research reactor.  Both facilities opened in 2007 have been quickly embraced by the Australian and international research communities with both having well over two thousand registered users.

The Australian Synchrotron is a 3 GeV third generation photon science facility, located in Melbourne, Victoria.  Its initial suite of nine beamlines include dedicated Protein Crystallography, EXAFS, powder diffraction, SAXS/WAXS, micro-beam Infra-red and soft X-ray spectroscopy beamlines.  A high energy beamline dedicated to imaging and medical therapy is being commissioned.  The OPAL research reactor is a 20 MW swimming pool design reactor with a very compact core delivering high neutron flux.  It is located at ANSTO in Sydney, New South Wales, and is designed not only for neutron beam research, but also for radioisotope production and irradiation services.  It currently operates 7 instruments on thermal and cold sources beams dedicated to powder diffraction, single crystal diffraction, residual stress and strain, SANS, reflectivity and triple axis inelastic scattering, with six additional instruments under construction.

The capabilities of these two facilities some research highlights will be presented. 

*Dr Richard Garrett

Richard Garrett is Senior Advisor, Synchrotron Science at the Australian Nuclear Science and Technology Organisation (ANSTO) and was the Facility Director of the Australian Synchrotron Research Program until 2009.  Richard has over 25 years of experience working at major synchrotron light source facilities in the United States and Japan in addition to the Australian Synchrotron.  He has provided expert technical advice to the Australian Synchrotron in a number of capacities, and is currently Chair of the Users Advisory Committee and a member of the Beamlines Development Working Group.  Richard also chairs the International Union of Crystallography Commission on Synchrotron Radiation and is a member of the Executive Council of the Asia Oceania Forum for Synchrotron Radiation Research (AOFSRR).

 

<12-24>

Title Viscous Dissipation Within Lipid Bilayers and Implications for Neutron Spin-Echo Spectroscopy
Lecturer Dr. Max Watson (National Institute of Standards and Technology)
Date 14:30 on September 28th (FRI.), 2012
Place 4-go-kan 2F Rinko-shitsu 1
Abstract Neutron spin-echo spectroscopy offers the unique ability to probe the dynamics of membranes on length scales which are especially relevant to biophysics. Modern interpretation of these measurements has relied on the theoretical predictions of Zilman and Granek; however, it was necessary to introduce an anomalously large solvent viscosity within this theory to obtain quantitative agreement with experiment. By using a model which includes the effect of viscous forces within the membrane, we have shown that a direct comparison between theory and experiment is indeed possible. For many cases, the results of the Zilman and Granek theory are recovered, except that the bending modulus appearing in their expressions is replaced by an effective dynamic bending modulus. Numerical calculations have also allowed us to investigate several effects which cannot be obtained with analytic techniques.

<12-20>

Title X-ray beam position and intensity monitoring based on electronic readout of single crystal diamonds
Lecturer Dr. John Morse (European Synchrotron Radiation Facility)
Date 14:00 on September 21st (FRI.), 2012
Place 4-go-kan 2F Rinko-shitsu 1
Abstract ‘Electronic grade’ (<5ppb of B, N impurities) single crystal diamond is grown homoepitaxially by chemical vapour deposition and then polished to a thin (<100µm) plate.  With suitable surface electrical contacts, a 'solid state ionization chamber' is formed which is used to intercept synchrotron X-ray beams and provide continuous measurement of the beam intensity and position. The thin diamond crystal absorbs only a small percentage of the incident beam, and with sub-nanometer roughness surfaces it causes little degradation to the beam quality and coherence. At 3rd generation synchrotrons, X-ray beams are now routinely focused to <1µm and frequently to <100nm. Compact monitoring devices with the ability to reach submicron resolutions at near kHz bandwidth are required to measure position and intensity variations associated either with movements of the beamline optics or the X-ray source itself. At the ESRF ID21Microscopy beamline we have demonstrated measurements with <15nm of position noise using quadrant electrode diamond devices with electrometer readout [1]. At DESY, narrowband radiofrequency diamond readout [2] has recently been used to characterize monochromator vibrations above 100Hz at the P11 crystallography beamline. We have also fabricated and installed devices with resistive, 'diamond like carbon' contacts at ESRF and Soleil which provide submicron resolution and linear position response over a >2mm working range [3]. We are now working on the development of  thin <10μm membrane diamonds for beam energies down to ~3keV, while at BNL-NSLS, a split quadrant diamond system  has been in use for over a year for white beam monitoring [4]. We will present the practical issues associated with the fabrication of these diamond devices and discuss their performance limits.

[1] J Morse, M Salomé, E Berdermann, M Pomorski, J Grant, V O’Shea, P Ilinski, Mater.Res. Soc. Symp. Proc. (Fall 2007), 1039 P06-02
[2] J Morse, B Solar, H Graafsma, J. Synch. Rad. (2010) 17, 456–464
[3] Pomorski, M, Ciobanu, M, Mer, C, Rebisz-Pomorska, M, Tromson, D and Bergonzo, P (2009), Phys. Stat. sol. (a) 206:2109–2114
[4] E Muller, J Smedley, J Bohon, X Yang, M Gaowei, J Skinner, G De Geronimo, M Sullivan, M   Allaire, J Keister, LBerman Heroux J. of Synch. Rad. (2012) 19, 381-387

A mounted quadrant diamond position monitor for the ESRF  ID21 Microscopy Beamline: the 30 µm thick diamond sensor is circled in red.

 

<12-21>

Title New Developments at DECTRIS
Lecturer Dr. Clemens Schulze-Briese(CSO of DECTRIS Ltd.)
Date 14:00 on September 7th (FRI.), 2012
Place 4-go-kan 2F Rinko-shitsu 1
Abstract

The PILATUS pixel and MYTHEN strip detectors have transformed synchrotron radiation data collection by combining noise-free counter properties with highest data acquisition rates. These features enable optimized data acquisition modes and new experimental techniques. The PILATUS detector is a modular two-dimensional hybrid pixel array detector, while the MYTHEN detector is a one-dimensional strip detector.

Based on these technologies several new developments have been made.

1. To enable measurements with ultra-soft X-rays and to optimize data quality, PILATUS modules were characterized and tested under vacuum conditions, allowing the construction of customized in-vacuum detectors: A PILATUS 1M was installed at the BESSY-2 FCM beamline for SAXS measurements at energies from 1.75 to 10 keV. A PILATUS 12M consisting of 120 detector modules in vacuum arranged in a large semi-cylindrical shape is being built for the DLS Long Wavelength MX beamline I23. A PILATUS 100K with optimized module geometry will be installed in-vacuum at the inelastic X-ray scattering beamline BL43LXU at SPring-8.

2. To enhance the detection efficiency for hard X-ray applications, Silicon sensors with increased thickness of 450 and 1000 µm have been developed. Their characteristics have been measured over a wide energy range from 1.75 (in vacuum) to 60 keV (in air), confirming that the quantum efficiency for hard X-rays is increased as theoretically expected, while the ideal spatial resolution (point spread function of one pixel size) is maintained.

3. A new version of the PILATUS readout chip has been developed and tested. It will be used in the PILATUS3 detector series. It features higher count rates (of up to 107 photons/s/pixel), higher readout speeds (<1 ms full readout) and enhanced global stability. This enables better accuracy in the highest intensity diffraction spots/rings and faster data acquisition.

4. MYTHEN detectors are ideally suited to detect isotropic scattering signals as encountered in powder diffraction or solution scattering. New mechanics for 6 or 24 modules allow to cover 30 and 120 °, respectively, thereby enabling high-throughput experiments and time-resolved studies.

5. The EIGER pixel detector represents the next generation of DECTRIS pixel detectors. With a pixel size of 75 µm, frame rates up to 3000 Hz and a dead-time of 3 µs it will enable radically new experiments.

These developments will be presented along with the corresponding measurement results.

 

<12-15>

Title “PSI:Stem Cell Biology” - Current Status and Future Direction -
Lecturer Fumiaki Yumoto, PhD, Robert Fletterick Lab, Biochemistry and Biophysics University of California, San Francisco
Date 10:00 on June 18th, 2012
Place 4-go-kan 2F Rinko-shitsu 1
Abstract

Following Protein Structure Initiative (PSI) and PSI-2, “PSI:Biology” is in progress in the United States, funded by NIH. Through the PSI and PSI-2, it has been possible to solve bacterial “single domain” structures with high-throughput manner corresponding with developments in infrastructure and resources. Although membrane proteins, human or mammalian protein-protein, and protein-nucleic acid complexes are still very challenging targets for structure determination, it has been discussed that such challenges represent the future direction of structural biology/structural genomics. PSI:Biology started as the third program of structural genomics in this strategy. In the US, four Centers for High-Throughput Structure Determination, nine Centers for Membrane Protein Structure Determination, twelve Consortia for High-Throughput-Enabled Structural Biology Partnerships, and two resource centers, have been selected after a peer review process by NIH. Each of the centers and the consortiums has been working on their own project.

We have had the opportunity to launch the one of the biology partnerships (PI: Robert Fletterick, UCSF) through the researches of human transcription factor complexes in the Fletterick lab and via collaborations with Shinya Yamanaka and Bruce Conklin labs in the Gladstone Institute of Cardiovascular Disease, UCSF, on iPS cells and cardiac transcription factors. I have been managing this partnership project since the PSI:BIology was funded at the end of September 2010. The project has also been collaborated with the Joint Center of Structural Genomics (JCSG; Beamline@SLAC National Accelerator Laboratory), one of Centers for High-Throughput Structure Determination to facilitate this program. The team is focusing on protein-protein, protein/DNA, and protein/protein/DNA complexes of human transcription factor machineries (We call this effort as “PSI:Stem Cell Biology”).

In this seminar, I will report the current status of this project on cell reprogramming factors and also discuss the direction to overcome problems, associated with sample preparations of complexes, for high-throughput crystallography.

<12-11>

Title Understanding Interfacial Structure and Diffusion in Multilayer Optoelectronic Devices
Lecturer Prof. Ian Gentle (the University of Queensland)
Date 16:00 on May 10th, 2012
Place 4-go-kan 2F Rinko-shitsu 1
Abstract

Since the discovery that small fluorescent compounds and conjugated polymers could be used as the active material in organic light emitting diodes (OLEDs) about twenty years ago, intensive research has seen them move from relatively short-lived and inefficient devices to components of commercially available appliances. This research has prompted the development of other organic devices such as organic photovoltaic devices (OPVs), field-effect transistors (OFETs) and sensors. A fundamental feature of these devices is that they rely on electron transfer between layers of organic materials, which imposes certain requirements on the materials and the way they interact.

Morphologies of model devices based on the architectures of OLEDs, bulk heterojunction OPVs and fluorescent sensors for explosives have been studied using a purpose-built cell on the Platypus time-of-flight neutron reflectometer at Australia’s OPAL reactor and the ISIS Facility in the UK. Deuterated materials synthesised at the National Deuteration Facility were used to enhance contrast between the organic layers. Three device structures have been examined: (i) studies of OLED architectures revealed that rapid interdiffusion occurs between the emissive layer and electron transport layer when heated above a critical temperature [1]; (ii) studies of organic photovoltaic solar cells fabricated by sequential deposition revealed interdiffusion between donor (P3HT) and acceptor (PCBM) layers [2] and (iii) studies of sensors revealed that the analyte diffuses reversibly throughout the active layer with accompanying swelling that depends on the structure of the sensing material [3, 4]. Our work has shown that diffusion occurs between layers at relatively low temperatures, having a great effect on performance and durability. The results have important implications for the long-term stability of devices based on organic layers.

References 1) A. R. G. Smith, J. L. Ruggles, H. Cavaye, P. Shaw, T. A. Darwish, M. James, I. R. Gentle, P. L. Burn, Advanced Functional Materials, 21, 2225 (2011). 2) K. H. Lee, P. E. Schwenn, A. R. G. Smith, H. Cavaye, P. E. Shaw, M. James, K. Kruger, P. Meredith, I. R. Gentle, and P. L. Burn, Advanced Materials, 23, 766 (2011). 3) H. Cavaye, A. Smith, M. James, A. Nelson, P. L. Burn, I. R. Gentle, P. Meredith, Langmuir 25, 12800 (2009). 4) H. Cavaye, P. E. Shaw, A. R. G. Smith, P. L. Burn, I. R. Gentle, M. James, S.-C. Lo, P. Meredith, J. Phys. Chem. C, 115, 18366 (2011).

<11-43>

Title High Aspect Ratio X-Ray Optical Components fabricated by X-ray lithography
Lecturer Dr. Juergen Mohr (Karlsruhe Institute of Technology)
Date 10:00 on May 8th, 2012
Place PF Kenkyu Bldg. 2F Conference room
Abstract In the talk we will describe the processes to fabricate compound refractive lenses (CRLs) and grating structures and show the results of the characterization experiments. In view of application, the focus will be on synchrotron experiments but also on experiments done with conventional X-ray sources. At the Karlsruhe Institute of Technology deep X-ray lithography, the first step of the LIGA process is used to fabricate high aspect ratio micro structures out of polymer. By a subsequent electroforming process, metallic micro structures are realized. The structures are characterized by dimensions in the micrometre range, aspect ratios of up to 100, steep and smooth sidewalls with roughness (Ra) in the range of 10 nm. These features give rise to use the LIGA process for fabricating X-ray optical structures like CRLs or gratings for Talbot interferometry. Using an epoxy based resist material, compound refractive lenses (CRLs) with parabolic shaped elements have been fabricated for different energies up to 50 keV, focal lengths down to a few millimetre and focal spot sizes of less than 100 nm. These parabolic lenses are efficient up to apertures of a few hundred micrometres. To increase the aperture the absorbing material was further decreased by transforming the continuous parabolic into a truncated parabolic lens design with a size of the refractive element of approx. 10 μm. By stabilizing more than ten thousands of these structures with a height of several millimetres by a lattice fence like arrangement, lenses with an aperture of 1.5 mm x 1.5 mm could be achieved leading to spot sizes in the micron range. Building a Talbot-interferometer system for X-ray phase imaging at higher energies requires the fabrication of gratings with a period in the micron range out of gold with a height of at least 100 μm. In this case the lithographically fabricated SU8 (epoxy based resin) structure is used as a template for the electroforming process. Optimizing the resist material, the design and the process conditions lead to the fabrication of grating structures with an aspect ratio of more than 100 in a field of view of 50 mm2. With such gratings visibilities of 65% for 30 keV and 25% for 52 keV could be measured at ID19 at ESRF.

<11-36>

Title In search of the third dimension in electron and x-ray diffraction
Lecturer Dr. Sergey SUTURIN ( Ioffe Physical Technical Institute, St. Petersburg, Russia )
Date 16:00 on January 26th, 2012
Place Rinkoshitsu1 in 4-go-kan
Abstract Design of novel materials for micro and nano-electronics requires application of appropriate characterization methods for analyzing crystal structure, lattice perfection and morphology of the fabricated samples. As the time goes by, the individual components of electronic and magnetic devices get smaller and smaller, while the size and boundary effects in these components become more and more important. While various direct space techniques are available for morphological studies at nanometer scale, these techniques are usually ex-situ and are often destructive to the sample. X-ray and electron diffraction methods are known to be very suitable not only for non-destructive study of crystal structure but also for investigating crystal termination planes, domain boundaries and correlations in nanoparticles distribution. These investigations require going beyond the Bragg reflection core so that a wider range of reciprocal space is explored. Reflection shape, appearance of streaks stretching out, presence of multiple reflection cores becomes important. Therefore it is very challenging to be able to record 3D intensity distribution in vicinity of Bragg reflections, along the streaks and anywhere else in the reciprocal space. With the development of 2D detectors three-dimensional mapping becomes more and more conventional in X-ray diffraction as well as in grazing incidence small angle X-ray scattering (GISAXS). However, very few reports exist so far on 3D imaging using high-energy electron diffraction (RHEED). The latter technique is one of the few to be used directly during the sample growth and is affordable in the lab with no requirement for costly synchrotron radiation experiments. In this presentation the 3D imaging approach using both X-rays and electrons will be demonstrated following the diffraction studies in Co / MnF2 / CaF2 / Si system. The data obtained is supposed to be relevant for understanding faceting, strain distribution and lattice perfection in nanoscale epitaxial heterostructures. New technique for taking and processing three-dimensional RHEED data will be presented.

<10-13>

Title Low Energy Positron Interactions with Atoms, Molecules and Materials
Lecturer Prof. Stephen J Buckman(Research Director, ARC Centre for Antimatter Studies, Australian National University, Canberra)
Date 16:00 on March 23rd, 2011
Place Rinkoshitsu1 in 4-go-kan
Abstract Advances in storage technology for low energy positrons in the past 10 years have produced a wealth of new and exciting advances in antimatter-matter interactions involving positrons and positronium.  New generation buffer gas traps have enabled the storage, and cooling, of large numbers of positrons which have been used for a range of experimental breakthroughs - from the production and storage of antihydrogen, to the formation of di-positronium. This talk will outline these technological developments and the way in which we have used them at the ANU for studies of positron interactions with atoms, molecules and materials, and the potential applications of these studies in biomedical and materials science.

<10-10>

Title Characteristics of Coherent THz Pulses Produced as Transition Radiation
Lecturer G. Lawrence Carr, Photon Sciences Directorate, Brookhaven National Laboratory
Date 16:00 on JAN. 11th, 2011
Place Seminar Hall in 4-go-kan
Abstract For much of the history of coherent THz pulse sources, their low intensity has limited their application to the role of probing materials. The development in recent years of higher energy THz pulse sources has enabled their practical use for photo-exciting - or “pumping” - a sample such that non-equilibrium dynamics can be studied. In contrast to conventional laser pumping, where the source is typically narrow-band and the pulse contains multiple cycles of the E-field, a coherent THz pulse can have a single-cycle such that a sample's response corresponds to the impulse delivered by the electric or magnetic field on a picosecond or faster time scale. Examples of scientific relevance include switching behavior in ferroelectric and ferromagnetic materials, dielectric breakdown, and critical current dynamics in superconductors. The ultra-short, high charge bunches in a photo-injected linac can serve as such a source of THz pulses, possessing some unique qualities not presently available in laser-based sources. For example, while intense mid-infrared (10's of THz) pulses with field strength exceeding 1 MV/cm can now be produced by difference frequency generation (DFG), such pulses are usually not single-cycle. Additionally, the amplified laser pulses needed for DFG limits the pulse repetition frequency such that a high average power is not easily achieved. As has been shown successfully at the Jefferson Lab energy recovery linac (ERL), photo-injected linacs can be operated at 10's of MHz repetition rates. In this presentation I will review the THz source characteristics for the Source Development Laboratory (SDL) photo-injected linac in the Photon Sciences directorate at Brookhaven Nat'l Lab and some applications in condensed matter physics. With a bunch charge exceeding 1 nC and bunch length well below 1 ps, this linac delivers single-cycle THz pulses with energies up to 100 ?J. In addition to observing a number of novel electro-optic effects in non-linear optical crystals, we have used these pulses to excite supercurrents in a NbN thin film and observed the breakdown of superconductivity on a picosecond time scale. * Supported by the U.S. Dep't of Energy under contract DE-AC02-98CH10886. ods.

<10-09>

Title Recent advances in synchrotron techniques, new opportunities in organometallics, phase systems, clusters and nanoroughness
Lecturer Dr. Christopher Chantler, Associate Professor & Reader, FAIP(Fellow of the Australian Institute of Physics (Port Melbourne, Victoria, Australia))
Date 15:00 on DEC. 16th, 2010
Place Conference room 2F in PF Bldg.
Abstract Crystallographic and XAFS techniques have been the mainstay of mainstream chemistry and biology at synchrotrons, now augmented with excellent IR and other facilities. Typical questions look at structure, bonding, active centres and dynamics, catalysts and biologically active organometallics. Materials science (chemistry, physics and engineering) are increasingly investigating complex and nano-systems. Tools for greater insight experimentally, theoretically and analytically are emerging. This talk will look at: 1. organometallics, catalysts and enzymes - what we can do now which we could not do a few years ago; 2. dilute and disordered systems - where the future may lie; and 3. XAFS and XERT and the measurement of dynamical bond lengths and thermal ellipsoids and 4. new fields of nano-roughness and inelastic mean free paths. I shall mention a few theoretical (chemistry and physics) developments which help to achieve these opportunities.

<10-07>

Title The role of oligomerisation in enzyme function: Structure and evolution of an essential bacterial enzyme
Lecturer Dr. Renwick C.J. Dobson(University of Melbourne, Department of Biochemistry and Molecular Biology (Australia))
Date 10:00 on NOV. 26th, 2010
Place Seminar Hall in 4-go-kan in Tsukuba/Room # 324 in 1-go-kan in Tokai
Abstract

It is often unclear why enzymes are oligomeric. In some cases,
oligomerisation provides a means of allosteric regulation. For the lysine biosynthetic enzyme dihydrodipicolinate synthase (DHDPS), dimerisation provides a pocket into which the allosteric inhibitor—lysine—can bind and inhibit catalysis. Whilst the dimer forms the allosteric cleft and contributes the active site, the reason for tetramerisation is less clear. The homotetrameric structure of DHDPS is essential for enzymatic activity, since dimeric mutants of E. coli DHDPS are much less active compared to the wild-type tetramer. We propose that by buttressing two dimers together, tetramerisation optimises protein dynamics for catalysis, particularly within the key catalytic triad motif. In general DHDPS enzymes appear to have evolved three conformations to solve the problem of excessive protein dynamics in the dimer: 1) tetramerisation as found in bacterial species (e.g. E. coli DHDPS), 2) tetramerisation as found in plant DHDPS enzymes, and 3) the Staphylococcus aureus-DHDPS dimer, which has stronger contacts across the dimer interface. I will present our ongoing work to uncover the mechanisms of catalysis and allostery. In addition, I will include our recent studies of the bacterial DHDPS enzymes from S. aureus, which is the first dimeric DHDPS enzyme characterised, and Clostridium botulinum, which shows a novel mechanism of regulation, whereby its substrate (pyruvate) promotes oligomerisation from less active monomers and dimers to an active tetramer.

Dobson, R. C. J.1,2
1 Bio21 Molecular Science and Biotechnology Institute, Melbourne,
Victoria, Australia.
2 Department of Biochemistry and Molecular Biology, University of
Melbourne, Melbourne, Victoria, Australia.

 

<10-08>

Title Growth and properties of epitaxial Co / fluoride nanostructures on silicon
Lecturer Prof. Nikolai Sokolov (Head of research group at Ioffe Physical-Technical Institute of the Russian Academy of Sciences)
Date 15:00 on NOV. 17th, 2010
Place Conference Room in PF Bldg./Room # 116 in 1-go-kan in Tokai
Abstract

Recent research activities in the field of epitaxial Co / fluoride nano- and heterostructures on silicon will be presented. The structures have been grown and studied in the Group of Epitaxial Insulators using molecular beam epitaxy (MBE), reflection high energy electron diffraction (RHEED), atomic force microscopy (AFM) and magneto-optical Kerr effect measurements (MOKE). Scanning and transmission electron microscopy (SEM, TEM), X-ray diffraction (XRD and SXRD), photoelectron spectroscopy (XAS, XPS) and X-ray magnetic circular dichroism (XMCD) studies have been carried out in close collaboration with a number of other research groups. The following topics will be discussed:

*Calcium fluoride epitaxial growth on silicon   
  +Initial stages of growth and interface structure  
  +From nanostripes to grooved and ridged CaF2(110) surface on Si(001)  
*Cobalt nanoparticle arrays on CaF2 surfaces  
  +MBE-growth of Co nanoparticles on CaF2(111) and CaF2(110) surfaces  
+Crystal structure, epitaxial relations and shapes of the nanoparticles  
  +Magnetic anisotropy of ordered Co nanoparticles  
*Cobalt on MnF2 as attractive exchange bias system  
  +Formation and crystal structure of Co/MnF2 heterostructures  
  +Magnetic properties studied by MOKE  
  +XMCD experiments at APE beamline of ELETTRA
*Unsolved problems and prospects for future studies

 

Title Pixel Array Detectors: Advanced Detectors for Synchrotron Science
Lecturer Dr. Christopher Nielsen (Vice President, Area Detector Systems Corp.)
Date 15:00 on OCT. 29th, 2010
Place Seminar Hall in 4-go-kan in Tsukuba/Room # 324 in 1-go-kan in Tokai
Abstract

        Pixel Array Detectors (PADs) are finding wide application in synchrotron science.  Pixel Array Detectors consist of a silicon detector (diode) layer and a CMOS logic layer, where each pixel in the silicon detector is connected by bump bond to a corresponding pixel in the CMOS, or "ASIC".  The custom integrated circuit logic in each pixel in the ASIC processes the signal from an X-ray striking the detector.  The pixel logic might integrate incoming signal, count photons, or do a combination of the two.  The basic unit of the detector, a PAD module, might be 2cm by 2cm or 2cm x 8cm in area; larger area detectors are made up by tiling modules.  Pixel sizes are approximately 150 microns.  It is the active processing of detector signals with custom logic that differentiates a Pixel Array Detector from other detectors such as CCD detectors.  Pixel Array Detectors generally have very fast read out (1-2 milliseconds) and very low point spread.  Depending on the pixel design used, PADs also can have other attributes such as very high dynamic range, individual photon counting, recording of extremely high count rates, or recording extremly short bursts of x-rays. 
        In this talk, an overview of Pixel Array Detectors will be presented.  Pixel design will be described and their strengths and weaknesses considered for
some chosen applications.

 

Title X-ray Micoroscopy
Lecturer Professor David Attwood(University of California, Berkeley)
Date 13:30 on OCT. 21st, 2010
Place Seminar Hall in 4-go-kan in Tsukuba/Room # 324 in 1-go-kan in Tokai
Abstract

We discuss world-wide progress towards nanoscale x-ray imaging in a wide range of applications, including materials science, biology, environmental science, cultural heritage, and industrial applications. Experiments involve both soft and hard x-rays Techniques include diffractive zone plate imaging, glancing angle reflective optics, multilayer coatings, novel optics and nanoscale 3D tomographic reconstructions.

This PF forms a part of the Chiron School 2010 which will be held at the Spring-8 on October 9-18 as a one of important activities of the Asia-Oceania Forum for Synchrotron Radiation Research.

 

Title Search for better conductivity in ZnO thin films
Lecturer Prof. Se-Jung Oh, Director of Center for Strongly Correlated Materials Research & Professor of Department of Physics and Astronomy, Seoul National University, Korea
Date 11:00 on June 30 (Wed.), 2010
Place Conference room 2F in PF Blgd.
Abstract

Zinc oxide (ZnO) has been attracting a lot of attention lately as one of the most promising materials for developing transparent couductive oxides (TCO). However, there are some technical problems to overcome if it is to be used widely in industry, replacing the now commonly-used Indium-Tin-Oxide (ITO). One of the obstacles is the not-so-high electrical conductivity of ZnO thin films as desired in many industrial applications. In this talk, I will describe our research to understand the origin of low conductivity in ZnO thin films by employing spectroscopic tools such as x-ray photoelectron spectroscopy (XPS), uv photoelectron spectroscopy (UPS), x-ray absorption spectroscopy (XAS) including near-edge structure (XANES) and extended fine structure (EXAFS).

 

Title The frontier of design and fabrication of x-ray compound refractive lens
Lecturer Dr.Markus Simon
(Institute for Microstructure Technology(IMT), Karlsruhe Institute of Technology (KIT))
Date 13:30 on June 9 (Wed.), 2010
Place Rinko-shitsu#1 on 2F in 4-go-kan
Abstract

Presentation file (PDF)

 

Title Crystal structure of Thermococcus onnurineus NA1 Lon, the founding member of ATP-dependent proteases
Lecturer Dr.Sun-Shin Cha
(Marine Biotechnology Research Center, Marine & Extreme Genome Research Center, Korea Ocean Research & Development Institute)
Date 13:00 on May 21(Fri), 2010
Place Conference room in the Structural Biology Bldg.
Abstract

The ATP-dependent Lon protease, which has orthologs distributed in all kingdoms of life, is essential in bacteria and other microorganisms under stress conditions and is needed for survival of mammalian cells subjected to oxidative damage. Lon consists of a molecular chaperone belonging to the AAA+ family and a protease with a serine-lysine catalytic dyad encoded in tandem in a single polypeptide. Here, we report the 2.0 Å resolution crystal structure of Lon from Thermococcus onnurineus NA1 (TonLon). Six subunits of TonLon assemble into a cylindrical structure with a sequestered internal chamber harboring the proteolytic active sites accessible only through restricted axial channels. Alternating subunits exist in two different nucleotide states displaying different domain orientations and intersubunit contacts indicative of the ATP hydrolysis-coupled motions driving protein unfolding and translocation.

 

Title Theoretical Study on Optical Spectra of Semiconductor Quantum Wires
Lecturer Professor Ping Huai(Shanghai Institute of Applied Physics , Chinese Academy of Sciences)
Date 15:30-16:30 on March 26th (Fri), 2010
Place Rinko-shitsu 1 on 2F in 4-go-kan
Abstract

Low dimensional semiconductor lasers are believed to have better performance due to more concentrated density of states at the lowest energy. The dependence of optical spectra on the densities of electrons in a conduction band and holes in a valence band, which can be controlled by the excitation intensity, is of special importance for understanding lasing and nonlinear optical processes.
     We have conducted systematic studies on the optical properties of semiconductor quantum wires by using theoretical model calculation. The optical spectra of semiconductor quantum wires have been first theoretically investigated by means of Semiconductor Bloch Equations. A reduced band-gap renormalization has been found due to partial cancellation between gap shift and exciton binding energy. Furthermore we have demonstrated optical gain occurring at strong pumping regime and discussed its temperature dependence to clarify characteristics of quantum wire lasers in connection with dimensionality.
To clarify the excitonic correlation effects beyond Hartree-Fock approximation, we have applied a self-consistent T-matrix approach on the model with long-range Coulomb interactions. The presence of exciton is taken into account by including correlation between electrons and holes under the ladder approximation. The approach allows detailed discussions on spectra dependence on carrier density and temperature without introducing any phenomenological damping parameter. Knowledge on these optical characteristics may provide important information for developing quantum-wire laser devices.

 

Title A general presentation of photo electron diffraction
Lecturer Dr. Didier Sebilleau (Universite de Rennes)
Date 13:30-14:30 on March 12th (Fri), 2010
Place Conference room in PF Bldg.
Abstract

 

 

Title Photoemission spectra of NiO, CoO, MnO and spin-state transition in LaCoO3
Lecturer R. Eder (Center for Frontier Science, Chiba University and Karlsruhe Institute of Technology, Germany)
Date 13:30- on Feb. 10th (Wed), 2010
Place Conference room on 2F in PB Bldg.
Abstract

Stronly correlated electron systems such as 3d transition metal oxides pose a difficult problem for electronic structure calculations. One of the recently proposed methods for dealing with such systems is the variational cluster approximation. After a brief explanation of the basic ideas behind this scheme, results for the photoemission spectra of NiO, CoO and MnO are compared to experiment and a discussion of the spin-state transition in LaCoO3 is given.

 

 

Title Protein structural dynamics visualized by pump-probe time-resolved X-ray crystallography and liquidography
Lecturer Professor Hyotcherl Ihee
Center for Time-Resolved Diffraction, Department of Chemistry, Graduate
School of Nanoscience & Technology (WCU), KAIST
Date 10:00- on Dec. 22nd (Tue.), 2009
Place Rinko-shitsu 1 2F in 4-go-kan
Abstract

The principle, experimental technique, data analysis, and applications of time-resolved X-ray diffraction and scattering to study spatiotemporal reaction dynamics of proteins in single crystals and solutions will be presented. X-ray crystallography, the major structural tool to determine 3D structures of proteins, can be extended to time-resolved X-ray crystallography with a laser-excitation and X-ray-probe scheme, and all the atomic positions in a protein can be tracked during their biological function. However time-resolved crystallography has been limited to a few model systems with reversible photocycles due to the stringent prerequisites such as highly-ordered and radiation-resistant single crystals and crystal packing constraints might hinder biologically relevant motions. These problems can be overcome by applying time-resolved X-ray diffraction directly to protein solutions rather than protein single crystals. To emphasize that structural information can be obtained from the liquid phase, this time-resolved X-ray solution scattering technique is named time-resolved X-ray liquidography in analogy to time-resolved X-ray crystallography where the structural information of reaction intermediates is obtained from the crystalline phase. By providing insights into the structural dynamics of proteins functioning in their natural environment, time-resolved X-ray liquidography complements and extends results obtained with time-resolved pectroscopy and X-ray crystallography.

[1] H. Ihee, Acc. Chem. Res. (2009), 42, 356-366.
[2] M. Cammarata, M. Levantino, F. Schotte, P. A. Anfinrud, F. Ewald, J.
Choi, A. Cupane, M. Wulff, and H. Ihee, Nature Methods (2008), 5, 881-887.
[3] H. Ihee, M. Lorenc, T. K. Kim, Q. Y. Kong, M. Cammarata, J. H. Lee, S.
Bratos, and M. Wulff, Science (2005), 309, 1223-1227.
[4] H. Ihee, S. Rajagopal, V. Srajer, R. Pahl, S. Anderson, M. Schmidt, F.
Schotte, P. A. Anfintud, M. Wulff, and K. Moffat, Proc. Natl. Acad. Sci.
(2005), 101, 7147-7150.

 

Title Function and structure of deubiquitinase
Lecturer Dr.Masato Akutsu (MRC Laboratory of Molecular Biology)
Date 11:00- on Dec. 24th (Thu.), 2009
Place Conference room in the Structural Biology Research Center Bldg.
Abstract

Ubiquitin regulates many celler processes as a post-translational modifier. Ubiquitin ligase attaches ubiquitin to the substrate (ubiquitilation) and deubiquitinase reverses ubiquitilation. Recently,
we solved the crystal structure of deubiquitinase. I will talk about the basic concept of ubiquitilation and deubiquitilation with our structure.

XFEL-O Seminar with Dr. Kwang-Je Kim

DATE:21st Dec, 2009, 13:30-16:30
PLACE:Seminar Hall in 4-go-kan
LECTURES:
 
13:30-13:35  Welcome & Opening address (O. Shimomura/IMSS)
 
13:35-14:35  「An X-ray Free Electron Laser Oscillator: Promises and Challenges」 
           Dr. Kwang-Je Kim (ANL)
 
14:35-15:05  「A simulation work of the XFEL-O by means of Velocity-Bunching (Tentative title)」 
           Dr. Nobuyuki Nishimori (JAEA)
 
15:20-16:20  「The idea how to measure dynamical charge susceptibility combined with X-ray and
          Neutron inelastic scattering」

           Dr. Jun-ichiro Mizuki (JAEA)
PROGRAM:

13:30-13:35 Welcome & Opening address (O. Shimomura/IMSS)
13:35 - 14:35

An X-ray Free Electron Laser Oscillator: Promises and Challenges
(Dr. Kwang-Je Kim/ANL)
【Abstract】Having seen proof that FEL principles work for hard x-rays for lCLS, it is time to seriously consider more advanced hard x-ray sources. An x-ray FEL oscillator (XFELO) promises to provide an extremely narrow bandwidth of a few meV (corresponding to 10-7 in relative bandwidth) with an average brightness higher by several orders of magnitude than, and peak brightness comparable to, the SASE XFEL. These capabilities will provide breakthrough opportunities in areas complementary to SASE XFELs as well as drastically enhance the capabilities of techniques developed at third-generation synchrotron radiation facilities-particularly those requiring high coherence and high spectral purity. The main technological challenges for XFELO are: an injector providing a continuous sequence of ultralow emittance, low intensity electron bunches at a few MHz repetition rate; high quality diamond crystals serving as the main mirrors for x-ray cavity; high-reflectivity grazing incidence, curved mirrors for controlling the transverse mode profile; tight tolerances for angular stability of the optical elements. We will present progresses in conceptual and experimental efforts to advance the state-of-the-arts in these topics.
Prezentation file(PDF)

14:35 - 15:05

A simulation of XFELO operating in a scheme of velocity bunching
(Dr. Nobuyuki Nishimori /JAEA)
【Abstract】 An X-ray synchrotron light source, a multi-GeV ERL, is one of the targets of our Japanese collaboration towards future ERL light sources. As an option of the multi-GeV ERL, we consider an X-ray FEL oscillator (XFEL-O) to produce hard X-ray pulses with excellent temporal coherence. In this study, we present simulation results of the XFEL-O such as FEL lasing including spectral narrowing and nonlinear phase shift at Bragg reflectors. We also propose a scheme of velocity bunching in an ERL main linac for X-FELO operation. The velocity bunching brings significant enhancement of the small-signal gain and an X-FELO at 0.1 nm is feasible with a 5-GeV electron beam from the ERL light source planned in Japan. 
Presenation file(PDF)

15:05 - 15:20

Coffee break

15:20 - 16:20
The idea how to measure dynamical charge susceptibility combined with X-ray and Neutron inelastic scattering
(Dr. Jun-ichiro Mizuki /JAEA)
【Abstract】It is well-known that the inelastic X-ray scattering (IXS)intensity is directly related to the dynamical charge susceptibility. Thespectrum of IXS in the energy between meV and a few 100meV, which is important energy range to investigate the physical properties in materials, has been explained so far with a contribution of oscillatingions, "phonons". Of course this is not correct. The spectrum should have the information on dynamical dielectric function which consists of not only phonons, but also polarization properties of electrons in a field of rigid lattice. The talk is addressed to the idea how to get the information on dynamical electric function by a combination of x-ray and neutron inelastic scattering methods.
Presentation file(PDF)
16:20 - 16:30
General Discussion
Title From seconds to picoseconds -selected applications of time resolved Xray diffraction in materials science and beyond
Lecturer Dr. Klaus-Dieter Liss (ANSTO)
Date 11:00- on Nov. 9th (Mon.), 2009
Place IMSS-KEK , 4th Bldg. 2F, Rinko-shitsu 2
Abstract

Time resolved synchrotron X-ray diffraction experiments open new insights into materials and physics, in particular with the ever developing sources and detector systems. This presentation outlines some experiments I have performed, which are most fundamental for the further development in their specific field. 

The first part concentrates on the study of processes as they occur during thermo-mechanical processing. Fast, large-area 2D detectors are used to follow the grain statistics of a material in-situ on a sub-second time scale, while it is plastically deformed in a synchrotron beam. The different effects of lattice strain, subgrain formation, grain rotation, texture evolution, grain growth, dynamic recovery and dynamic recrystallization can be distinguished beside the conventional analysis of phase transformations.

On the shorter time scales of micro- and nanoseconds, a stroboscopic experiment to study shock waves is presented. Ultrasonic waves were induced by a laser into a silicon single crystal and lattice strain was probed by a high resolution crystal diffractometer, revealing the time oscillations of the ultrasonic wave field. Probing different positions allowed to determine the speed of a shock front, traveling faster than the linear speed of sound, followed by other converted and conventional waves.

Last, it is reported on an X-ray optical experiment in which hard X-ray photons are stored for several nanoseconds in a crystal cavity. Semi-transparent mirrors allow to enter 100 ps pulses into the cavity and leave them delayed by multiple nanoseconds. Applications of this fundamental device lie in the range of X-ray interferometers, Fabry-Perot etalons, resonators for free electron lasers and delay lines.

It is anticipated, that experiments nowadays accessible on a relatively longer time scale become feasible in the near future on shorter time scales while it is important to prepare the way into this direction.

 

Title Production and utilisation of NEG coatings at the ESRF
Lecturer Dr. Michael Hahn (Vacuum Gropu, ESRF)
Date 13:30- on Nov. 5th (Thu.), 2009
Place IMSS-KEK , 4th Bldg. 2F, Rinko-shitsu 1
Abstract

For the optimisation of the photon brilliance on the ESRF Synchrotron Light Beamlines the large majority of the 32 vacuum sectors of the e- Storage Ring has been equipped with flat, conductance-limited Insertion Device (ID) vacuum vessels made from aluminium extrusion. For chambers with an inner vertical aperture as low as 8mm the application of Non-Evaporable Getter (NEG) coating was the only way to archive acceptable Bremsstrahlung conditioning times, thus minimizing the downtime of the connected Beamline due to high radiation levels.

 

Title Stuctural dynamics of photoinduced molecular switching in the solid state
Lecturer Professor Herve Cailleau
(Institut de Physique de Rennes, Universite de Rennes 1, France)
Date 14:00-15:00 on Aug. 26th (Wed.), 2009
Place IMSS-KEK , 4th Bldg. 2F, Rinko-shitsu 1
Abstract

A current challenge in science and technology is to direct the functionality of matter at the relevant smaller scale, not only ultra-small size but also ultra-short time. Thus a femto-second laser pulse may induce spectacular collective and/or cooperative phenomena in the solid state. This can trigger the transformation of the material towards another macroscopic state of different electronic and/or structural order, for instance from non-magnetic to magnetic or from insulator to conductor. Besides different itinerant electron systems materials with multi-functional molecules which can switch between two states are also promising. The switching of molecules in a material triggered by a femtosecond light pulse ensues the new established field of femto-chemistry in solution where photo-chemical processes are essentially independent. The physical picture of the dynamics of this switching in molecular materials will be discussed. The key point is that in the solid state different degrees of freedom of different nature play their part on different time scales and the pathway is complex, from the molecular to material length and time scales. The discussion will be based on recent investigation of the structural dynamics in multifunctional spin crossover compounds which are prototypes of molecular bi-stability in the solid state. The time-resolved x-ray diffraction and optical results show the dynamics span from sub-pico-second molecular photo-switching followed by volume expansion (nanosecond) and thermal switching
(microsecond).

 

Title Personal experience in structural biology: on the way toward automation
Lecturer Chavas Leonard M.G.(PF)
Date 15:00- on July 30th (Thu.), 2009
Place Conference room on 2F in PF Building
Abstract

Many events orchestrate the life of a cell, including a multitude of specific chemical transformations, formation of organelles, movement of materials through specific trafficking, and more. To fully comprehend the relationships existing among the biological molecules responsible of such mechanisms, a large set of biophysical and biochemical techniques are used to complement data obtained from cell biology. With the increasing number of synchrotron facilities built worldwide, X-ray crystallography is becoming a highly popular approach that allows the study of biological samples at the atomic level.

In this presentation, I will attempt to introduce my views on protein X-ray crystallography and its future, based on a personal experience while dealing with challenging samples. Concrete examples will be highlighted in which a strong need of automation would have assisted a more efficient approach, either during sample manipulation, data acquisition, or structure phasing.
Inspired from such data, questions are emerging on how to progress toward a fully automated structural biology pipeline, already partly in place at the Structural Biology Research Center.

 

Title Using TINE 4.1 to Deliver the First Beam in PETRA3
Lecturer Prof. Philip Duval (DESY: Deutsches Elektronen-Synchrotron)
Date 15:30- on June 10 (Wed.), 2009
Place Conference room on 2F in PF Building
Abstract

PETRA3 is undergoing machine studies at the moment in expectation of delivering beam to the 14 beam lines later in the year. Virtually all aspects of the old machine have been replaced from bottom to top. The control system for PETRA3 and pre-accelerators is TINE (release 4.1) and making extensive use of java console applications and the Common Device Interface (CDI) for the front ends. We will try to touch on the current status of all of these topics, with some emphasis on the generic diagnostic tools produced in collaboration with Cosylab.

 

Title Plans for the Renewal and Upgrade of the Advanced Photon Source
Lecturer Prof. J. Murray Gibson
Associate Laboratory Director for Photon Sciences Advanced Photon Source,
Director for Argonne National Laboratory
Date 14:00- on April 21 (Tue), 2009
Place Conference room on 2F in PF Building
Abstract

I will review the status of plans for the renewal of APS and the R&D we are carrying out for future upgrade of the facility, and discuss the US context for next-generation light sources.

 

Title Light-induced phase separation in spin-crossover solids: a first
step of the microscopic mechanism of the self-organisation under light
Lecturer Professor Kamel Boukheddaden (Universite de Versailles)
Date 16:30-17:30 on March 4(Wed), 2009
Place Rinko-shits on 3F in the 4-go-kan
Abstract

We investigate the light-induced phase separation in the light-induced
thermal hysteresis (LITH) loop of the [Fe(ptz)6](BF4)2 spin-crossover
(SC) solid. The spinodal decomposition studied here, was first indirectly
evidenced through magnetic measurements under light [1], and recently
confirmed by neutron diffraction studies [2], which brought a proof of a
macroscopic phase separation under light in the bistable area of the LITH
region. In the present work, we focuss on the microscopic physical mechanism
underlying the spinodal decomposition in SC solids under light. At this end,
we have performed a spatiotemporal analysis [3] in the frame of a coupled
map approach by using an extension of the kinetic version of the Ising-like
model, already improved in the description of the equilibrium and
nonequilibrium properties of SC materials. This approach is based on the
resolution of the master equation locally, leading to analyze in details the
conditions of occurrence of the phase separation and self-organization under
light in SC solids. Moreover, from the calculations of the autocorrelation
function, we were able to determine the time dependence of the mean value of
the domain size during the growth and found dynamic growth exponents from 0.
25 to 0.33, evidencing an effective diffusion-driven phase separation of an
HS-LS mixture into HS rich and LS-rich phases. A fine analysis of our data
show that in the spinodal region, the SC solids under light react as systems
with conserved order parameter, which is due to the existence of a subtle
balance between the optical and thermal processes.

 

Title SESAME - A 3rd Generation Synchrotron Light Source for the Middle East
Lecturer Dr. Herman Winick SSRL, SLAC, Stanford University, USA
Date 16:00 on Jan. 16 (Fri), 2009
Place Conference room on 2F in the PF Kenkyu Bldg.
Abstract

Modelled closely on CERN and developed under the auspices of UNESCO, SESAME (Synchrotron-light for Experimental Science and Applications in the Middle East) will be a major international research centre in the Middle East / Mediterranean region, promoting peace and understanding through scientific cooperation. It will have as its centrepiece a synchrotron light source originating from BESSY I, given as a gift by Germany. The facility is located in Allaan, Jordan, 30 km North-West of Amman.

Jordan has provided the site & funds for the recently completed building.
The BESSY I 0.8 GeV injection system is currently being installed. A new 2.5 GeV 3rd Generation Light Source has been designed. With an emittance of 26 nmrad and 12 places for insertion devices, it will provide light from the far infra-red to hard X-rays for a wide range of studies, including those addressing environmental and biomedical issues of relevance to the region. SESAME offers excellent opportunities for the training of Middle East scientists and attracts those working abroad to return. As of November, 2008 the members of the SESAME Council are Bahrain, Cyprus, Egypt, Iran, Israel, Jordan, Pakistan, Palestinian Authority, and Turkey. Members provide the annual operating budget. More are expected to join. Plans for initial beam lines include MAD Protein Crystallography, SAXS & WAXS for Polymers and Proteins, Powder Diffraction for Material science, UV/VUV/SXR Photoelectron Spectroscopy and Photoabsporption Spectroscopy, IR Spectroscopy & EXAFS. Beamline equipment has been donated by the Daresbury Laboratory in the UK, the LURE laboratory in France, the Swiss Light Source, and the Advanced Light Source and SLAC in the US. Some beamlines will be built by Member countries. Additional funds to purchase components of the new ring and beamlines are being sought from the EU, Japan, the US & other sources. A training program for accelerator technology, beamlines, and applications is underway, with funding from IAEA, the Japanese Society for the Promotion of Science, the US Department of Energy, synchrotron radiation laboratories around the world, and other sources. Five scientific workshops and seven annual Users’ meetings have brought together hundreds of scientists from the region. A Director, Scientific Director, Technical Director, Administrative Director and a staff of 18 engineers and scientists plus administrators are on board. Four Advisory Committees work with the staff to develop the technical design, beam lines, & the scientific programs.
For more details see: http://www.sesame.org.jo  

 

Title Time-resolved electron cryo-microscopy revealed maturation dynamics of a pseudo T=4 viral capsid
Lecturer Dr. Tsutomu Matsui, Research Associate, The Scripps Research Institute, Department of Molecular Biology
Date 10:30 on Dec. 22 (Mon), 2008
Place Conference room on 2F in the PF Kenkyu Bldg.
Abstract

Nudaurelia Capensis omega Virus (NwV) is a member of Tetravirus, T=4 non-
enveloped icosahedral ssRNA viruses. The virus like particles (VLPs) of NwV coat
protein were expressed and purified at neutral pH as procapsid particles (Diameter =
480 %ュ,. Procapsids transit to capsids (420 %ュ, with auto-proteolysis when the pH is
lowered to < 5.2.
In present studies, the wild-type VLPs were immediately frozen at different time
points after lowering pH from 7.6 to 5.0. Electron cryo-microscopy and single-particle
reconstruction techniques were than used to solve the particle structures at the
various time points. Difference density maps were computed and were interpreted
with the crystal structure and biological data. The results reveal the sequence in
which cleavage site formation occurs and illustrates the process of pseudo T=4
icosahedron formation in NwV.

 

Title Macromolecular Crystallography at Diamond Light Source
Lecturer Dr. Armin Wagner
  (Beamline Scientist I24, Microfocus Macromolecular Crystallography,Diamond Light Source)
Date 14:00 on Sep. 3 (Wed), 2008
Place Conference room on 2F in the PF Kenkyu Bldg.
Abstract

Diamond Light Source is the new third generation synchrotron light source in Oxfordshire, UK. It offers a wide range of experimental techniques for physical and life sciences. In total six beamlines are dedicated to macromolecular crystallography. The first three phase I beamlines have been operational for more than a year. The microfocus MX beamline has accepted first users in August 2008 and the monochromatic side station is schedule for spring 2009. Additionally, Diamond is going to build a dedicated long-wavelength beamline to exploit the possibilities for sulphur SAD phasing. The talk will give an overview on the status of the phase I beamlines, show some latest commissioning results of the microfocus beamline and discuss ideas about the long-wavelength beamline.

 

Title Bayes-Turchin approach to the analysis of extended x-ray absorption fine structure data
Lecturer Dr. Hans. J. Krappe (Helmholtz Center Berlin)
Date 13:30 on Sep. 2 (Tue), 2008
Place Conference room on 2F in the PF Kenkyu Bldg.
Abstract

After a reminder of the Bayes-Turchin approach to data analysis in general, its application to x-ray absorption fine structure (EXAFS) and magnetic x-ray absorption (MEXAFS) data is discussed in the framework of the multiple scattering path expansion.

 

Title Femtosecond X-ray Crystallography of Bismuth and Tellurium:Dynamics on the Time Scale of an Optical Phonon Period
Lecturer Dr. Steven Johnson (FEMTO project, Swiss Light Source, Paul Scherrer Institut)
Date 11:00 on Sep. 1(Mon), 2008
Place Rinko-shitsu 2 on 2F in the 4-go-kan( No. 4 Bldg.)
Abstract

Femtosecond laser excitation of the near-surface region of an optically opaque solid can create unique transient conditions that are far from thermal equilibrium. The properties of the resulting non-equilibrium state can be very different from those of more familiar thermodynamic phases. To
better understand the structural evolution of laser-excited materials, we have used highly asymmetric femtosecond x-ray diffraction to observe the atomic motion in single crystals of bismuth and tellurium on time scales faster than their optical phonon periods. We observe coherent and incoherent structural dynamics that change as a function of distance from the surface of the crystal that give new insights into the electron-phonon interaction in these materials.

 

Title Modulation of Inter-Membrane Interaction and Bending Rigidity of Biomembrane Models via Carbohydrates - A Neutron Scattering Study
Lecturer Dr. Emanuel Schneck (Haidenberg University, University of Munich)
Date 16:30 on Aug. 6 (Wed), 2008
Place Rinko-shitsu 2 on 2F in the 4-go-kan( No. 4 Bldg.)
Abstract

We designed artificial models of biological membranes by deposition of synthetic glycolipid membrane multilayers on planar silicon substrates. In contrast to commonly used phospholipid membranes, this offers the unique possibility to study the influence of membrane-bound saccharide chains (cell glycocalix) on the membrane mechanics. Taking advantage of the planar sample geometry, we carried out specular and off-specular neutron scattering experiments to identify out-of-plane and in-plane scattering vector components.
By considering effects of finite sample sizes, we were able to simulate the measured two-dimensional reciprocal space maps within the framework of smectic liquid crystal theory. The results obtained both at controlled humidity and in bulk water clearly indicate that a subtle change in the molecular chemistry of the saccharides strongly influences inter-membrane interactions and membrane bending rigidities.

 

Title Applications of computational quantum chemistry to muonium states in matter
Lecturer Dr. Roderick M. Macrae (Marian College)
Date 14:00 on Jul. 30 (Wed), 2008
Place Rinko-shitsu 2 on 2F in the 4-go-kan( No. 4 Bldg.)
Abstract

Positive muon implantation into condensed matter leads to the generation of a variety of paramagnetic states including interstitial muonium, bond-center states, shallow defects, and molecular radicals. These are distinguished by characteristic values of the components of the muon-electron hyperfine coupling tensor. Consequently, a full understanding of the structures and dynamics of these states requires the accurate calculation of energy surfaces and hyperfine tensor parameters. Since the development of density functional theory, this has become considerably less challenging than in the past for simple systems such as organic molecular radicals. However, recent experimental studies have focused on systems of much greater complexity, such as radicals formed from molecules bound in zeolite environments, caged muonium in silsesquioxanes, and the still-puzzling paramagnetic states observed in elemental sulfur and the other chalcogens.
Calculations on several of these systems are presented, with discussion of the particular problems raised in each case, and a comparison of muonium and hydrogen data where available.

 

Title Construction and Commissioning of the Australian Synchrotron Facility
Lecturer Professor Frank P Larkins
(Vice President and Professor of Chemistry, The University of Melbourne,
Australia Chair, Science Advisory Committee)
Date 14:00 on June 30 (Mon), 2008
Place Conference room on 2F in the PF Kenkyu Bldg.
Abstract

A third generation 3 GeV synchrotron facility has been constructed and recently commissioned in Melbourne, Australia. First experiments were conducted in July 2007. Some 9 beamlines have been either commissioned or are under construction. Recent progress will be discussed as well as the
plans for future beamlines and experiments. Details about the Australian Synchrotron are available at http://www.synchrotron.vic.gov.au

 

Title Charge-transport mechanisms in thin organic films and at interfaces studied using advanced photoelectron spectroscopies
Lecturer Dr. Rainer Friedlein
  (School of Materials Science, Japan Advanced Institute of Science and Technology)
Date 13:30 on June 17 (Tue), 2008
Place Conference room on 2F in the PF Kenkyu Bldg.
Abstract

In the rapidly developing field of organic electronics, many elementary processes behind the transport of charge carriers within the bulk of the materials and at interfaces are only partially understood. In this presentation, I review our recent studies of parameters essential for the charge transport in well-defined mono- and multilayer films of polyaromatic molecules, using (angle-resolved) ultraviolet photoelectron and resonant photoelectron spectroscopic techniques. In particular, the intramolecular charge-vibrational coupling related to the geometric relaxation accompanying a charge, the dynamic screening of individual charge carriers, the intermolecular band width related to the charge transfer integral, as well as structure-and orbital-dependent femtosecond charge transfer processes at organic/inorganic interfaces are discussed.

 

Title Photon Metrology using Synchrotron and FEL Radiation
Lecturer Dr. Mathias Richter
  (Physikalisch-Technische Bundesanstalt (PTB), Berlin, Germany)
Date 10:00 on June 12 (Thu), 2008
Place Conference room on 2F in the PF Kenkyu Bldg.
Abstract

For more than 25 years, Germany’s national metrology institute PTB uses synchrotron radiation of the storage rings BESSY I and BESSY II for fundamental and applied photon metrology in the spectral range from UV radiation to X-rays.
From 2008 till 2010, the activities in the lower photon energy range will be extended towards the infrared and terahertz regime and successively transferred to PTB’s Willy-Wien Laboratory and the new synchrotron radiation facility Metrology Light Source (MLS) which has started user operation in April 2008.

The work is based on (a) source-based radiometry using a storage ring as a primary source standard of calculable synchrotron radiation, (b) detector-based radiometry by means of cryogenic radiometers as primary detector standards, and (c) reflectometry. Current applications refer to the calibration of space instruments, testing optical components and materials within the framework of microlithography, standard-free X-ray fluorescence analysis, characterization of thin films, and photon diagnostics for X-ray lasers.

For the soft X-ray Free-electron LASer (FEL) in Hamburg FLASH, gas-monitor detectors for the online determination of FEL pulse energy were developed which are based on atomic photoionization.
In this context, also the limits of linear and the mechanisms of non-linear photon-matter interaction in the soft X-ray regime were studied on rare gases from a fundamental point of view.
The talk will give an overview of PTB’s activities in the field of photon metrology using synchrotron and FEL radiation.

 

Title NSLS II Project and Its Vacuum System Design
Lecturer Dr. Hsiao-Chaun Hseuh
     (Brookhaven National Laboratory)
Date 13:30-14:30 on June 2 (Mon), 2008
Place Rinko-shitu 1 on 2F in 4-go-kan
Abstract

National Synchrotron Light Source II (NSLS-II) is a 3-GeV, 792-meter circumference, high-flux and high-brightness synchrotron radiation facility to be constructed at Brookhaven National Laboratory. It will replace the existing NSLS, a two-decade old 2nd-generation light source. To deliver photon beams with < 1 nm spatial resolution and 0.1meV energy resolution for the users, NSLS II will have extremely high brightness, flux and stability; and ultra low emittance of ? 1 nm- rad. These stringent requirements and their impact on vacuum systems, as compared with other 3rd generation light sources, will be described. The design of the storage ring and the vacuum systems will be presented, with emphasis on beam vacuum chamber design, material selection, pump arrangement-versus-pressure variation, photon beam tracking and absorber positioning. Fabrication and evaluation of the extruded aluminum chamber prototypes will also be described.

 

Title Current status and progress of SSRF project
Lecturer Tai Renzhong (SSRF)
Date 16:00 on March 11 (Tue), 2008
Place PF Kenkyu Bldg.
Abstract

The Shanghai Synchrotron Radiation Facility(SSRF), a third-generation light source, comprises a 3.5-GeV eelctron storage ring, a full energy booster, a 150 MeV linac, and seven beamlines in phase I of this project.

Beginning at the end of 2004 with groundbreaking ceremony, the accelerators were installed in 10 months from November 2006, and were successfully tested and commissioned in the past a couple of months. On December 21,2007, storing electron beams was realized, and a first synchrotron radiation light was observed 3 days later at the BL16B front-end. Now it runs 3 GeV 100 mA beams with a life time of 8-10 hours. Meanwhile, construction of the first seven beamlines ( 5 ID and 2 bending magnet beamlines) is progressing on schedule.

 

Title Status Report of Macromolecular Crystallography beamline at SSRF
Lecturer Wang Qisheng, Du Guahao/ Shanghai Synchrotron Radiation Facility (SSRF)
Date 17:00 on February 19 (Mon), 2008
Place PF Kenkyu Bldg. or the conference room in Structural biology Research Center
Abstract

The Shanghai Synchrotron Radiation Facility (SSRF) as a third generation light source aims at providing powerful X-rays to the Chinese SR users in a variety of research fields. The SSRF complex consists of three main parts: a full energy injector including a 150MeV linac and a 3.5GeV booster, a 3.5GeV storage ring and the beam lines and experimental end stations.

In Sept.2006, the buildings construction is completed. The SSRF project changes over to equipment installation and commissioning stage. The equipment and components of Linac, booster and storage ring have been manufactured and assembled. Before the unitary commissioning, the commissioning of the three subsystem is progressed separately. Up to 15 Jan.2008, the 100mA current is obtained in the storage ring.

 

Title Tracking Photoswitching Dynamics of Molecules in Materials
Lecturer Prof. Herve Cailleau(Institute of Physics of Rennes, University of Rennes 1-CNRS)
Date 14:00 on January 28 (Mon), 2008
Place 4-go-kan 2F Rinko-shitsu 2
Abstract

Light tuning of the charge and/or spin states of molecules in a solid material is a promising target. Contrary to dilute solutions, all the constituent molecule in solids can be photoactive, and the medium is not passive but active. In other words, due to cooperative intermolecular interactions, light can induce self-amplification and self-organization processes, offering the possibility for the material to be directed between different electronic and structural order, a so-called photo-induced phase transition. This opens new avenues for light-control of various photoswitchable functions (magnetic, optical, conduction,…), with some direct consequences for future developments communication and information technologies.

Another step is the possibility to directly observe in real time the assembly of molecules moving and transforming by using the emerging fast and ultra-fast X-ray scattering techniques. In this talk I will give a small overview of new concepts which can be proposed for this emerging field. This will be illustrated by two situations in relation with the recent results obtained by the progress in X-ray and optical techniques under cw or pulsed laser excitation: - first, the photo-steady state of spin transition with respect to the strength of cooperative interactions (crossover or phase separation) which provides a new kind of non-linear chemical dynamics (self-organization, bistability,…); - the use of ultra-short laser pulse to trigger ultra-fast photo-induced phase transition in charge-transfer and spin transition materials which represents a next step ensuing the now established field of femtochemistry A fascinating feature is to directly observe the change from coherent deterministic dynamics at ultra-short time to stochastic thermal kinetics after the lattice thermalization.

Many of there results presented in this talk was obtained within the Non-equilibrium Dynamics ERATO/JST project.

General references
1. Photoinduced Phase Transitions, K. Nasu ed., World Scientific (2004).
2. Photo-Induced Phase Transition and their Dynamics, S. Koshihara and M.Kuwata-Gonokami eds, special topics in J. Phys. Soc. Jpn 75, 011001-011008 (2006).

 

Title Australian Synchrotron Research & the Australian Synchrotron
Lecturer Prof. Richard Garrett (Facility Director, Australian Synchrotron Research Program, ANSTO)
Date 10:00 on January 15 (Tue), 2008
Place Conference room on 2F in the PF Building
Abstract

Australian use of synchrotron radiation research techniques has grown steadily since the early 1990’s via access to overseas facilities provided by theAustralian Synchrotron Research Program (ASRP). A fast developing and maturing synchrotron user community has grown up around the ASRP facilities at the Photon Factory, the APS and the NSRRC. The ASRP program at the Photon Factory, centered on the Australian National Beamline Facility (BL20B) has been particularly important and productive, and continues to host over 50 research groups each year. The logical next step to this successful “suitcase science” program was the construction of a synchrotron light source facility in Australia.

The Australian Synchrotron is a 3 GeV third generation facility, which is located adjacent to Monash University in Melbourne, Victoria. The storage ring has been operating since 2006, and the first user experiments began in 2007. The project funding included an initial suite of nine beamlines including dedicated Protein Crystallography, EXAFS, powder diffraction, SAXS/WAXS, micro-beam and soft X-ray spectroscopy beamlines. The first five beamlines were assembled in early 2007,and are now either operational or undergoing advanced commissioning. The remaining four beamlines are under construction and will be delivered in mid-2008.

 

Title NSLS and NSLS-Ⅱ Update
Lecturer Prof. Chi-Chang Kao (Chair of NSLS, Brookhaven National Laboratory)
Date 11:00 on January 15 (Tue), 2008
Place Conference room on 2F in the PF Building
Abstract

An overview of the National Synchrotron Light Source (NSLS) facility, scientific program, and user and publication statistics will be given first. It will be followed by recent scientific highlights selected from life sciences, chemical and physical sciences as well as applied sciences; the detector and optics development effort; and the planning for the near future at the NSLS. The second part of the talk will be focused on the development of free electron laser, intense Tera-Hz radiation and ultra-fast electron diffraction at the source development laboratory of the NSLS. The third part of the talk will be focused on NSLS-II project, including the motivation and scientific goals, the current design of the storage ring, beamline planning and the status of the project.

 

Title NSRL XAFS station and its applications to the studies of dilute magnetic semiconductors and quantum dot
Lecturer Dr. Zhiyun Pan(National Synchrotron Radiation Laboratory, University of Science and Technology of China)
Date November 12 (Mon), 2007 16:00-
Place 4-go-kan 2F Rinkoshitsu1
Abstract

X-ray absorption fine structure (XAFS) is used to probe local structures of condensed matters, and provides the quantitative local structural information around an element species in a complex material. The general performance of U7C-XAFS station of National Synchrotron Radiation Laboratory (NSRL) will be introduced in detail.

The XAFS studies on GaN- and ZnO-based dilute magnetic semiconductors show the occupation sites of Mn and Co atoms in a variety of GaN- and ZnO-based DMS materials prepared by different methods such as MBE, CVD, PLD and sol-gel method. It indicates that at low doping concentrations, the dopants Mn and Co are substitutionally incorporated into the host lattice; at higher Mn and Co doping concentrations, the metal clusters and secondary phases are formed. The structural results are well correlated with the observed magnetic properties and are helpful for understanding the complicated nature of the magnetic interactions in DMSs. The studies on the self-assembled GeSi quantum dots (QDs) grown on Si(001) substrate by multiple-scattering (MS) EXAFS reveal that the degree of Ge-Si intermixing for Ge-Si QDs strongly depends on the temperature.

The compressively strained nature of the QDs is discussed in detail, demonstrating that the MS-EXAFS provides detailed information on the QDs strain and the Ge-Si mixing beyond the nearest neighbors.

 

Title Upgrade Plans for the Advanced Photon Source(APS)
Lecturer Prof. J. Murray Gibson ( Advanced Photon Source, APS/ANL)
Date October 17, 2007, 14:30-15:30
Place Conference Room on 2F in the PF Building
Abstract

Advanced imaging and ultrafast science are two areas of application for synchrotron radiation which demand new capabilities from storage ring sources like the APS. I will discuss our R&D plans for an Energy-Recovery LINAC upgrade to the APS, which promises to revolutionize these areas while still preserving the high average flux and multi-user capabilities of a third-generation source. 

 

Title Ordering of gold nanoparicles on solid surface and liquid interfaces
Lecturer Prof. Milan K. Sanyal(Surface Physics Division Saha Institute of Nuclear Physics)
Date July 24, 2007 15:00-
Place Conference Room on 2F in the PF Building
Abstract

We shall discuss synchrotron x-ray scattering results that help us to understand nature of ordering of gold nanoparticles in solid surface, liquid surface and liquid-liquid interfaces. X-ray reflectivity and diffuse scattering results will be presented to discuss out-of-plane and in-plane ordering. Apart from basic research these studies are important to form compace monolayer films of nanoparticles for various applications in nanotechnology.

 

Title Structural plasticity in the cholinesterases
Lecturer Prof. Israel Silman (Neurobiology Dept., Weizmann Institute of Science)
Date April 10 (Tue), 11:00
Place Conference Room on 2F in the PF Building
Abstract

Under preparation.

 

Title NEW HORIZONS FOR NEUTRON LAUE DIFFRACTION ON VIVALDI
Lecturer Dr. Marie-Helene Lemee-Cailleau (Institut Laue-Langevin, France)
Date March 6(Tue), 11:00-12:00-
Place Rinko-Shitsu 1 on 2F in 4-go-kan
Abstract

Even very recently, a lot of problems in chemistry and physics requesting precise structural investigations by neutron scattering, were out of reach, especially when only very small samples were available or when a very systematic study e.g. versus an external control parameter such as temperature, was needed, in both cases because too highly prohibitive in beamtime. Henceforth, work with small single crystals, rapid crystallography or reciprocal space surveying are possible thanks to the recent developments of neutron Laue diffraction and in particular to instruments like VIVALDI at the Institut Laue-Langevin. After a brief presentation of this class of neutron diffraction instruments, several topical examples on magnetic structure determination, photomagnetic commutation and related structural modifications or on the latest chemical trends will be presented.

 

Title TINE : The control system and its uses at DESY, Zeuthen, and EMBL
Lecturer Dr. Philip Duval (DESY The German Electron Synchrotron)
Date Feb. 22 (Thu), 10:00-
Place Rinko-Shitsu on 2F in PF Junbito Biuilding
Abstract

We will give a brief overview of the TINE control system including the
most recent features and supported platforms such as the LabView API,
the ACOP family of java beans, and the Common Device Interface (CDI) for
accessing the hardware layer. We will also contrast it to some other
known systems such as EPICS and show how it is used to great effect at
the current generation of accelerators at DESY (TTF2, HERA, PETRA, DORIS
and pre-accelerators), at Zeuthen (PITZ) and at EMBL and GKSS Hamburg
(beam line control).

 

Title Can We Have BOTH high Resolution AND High Intensity? Applications of Time Focusing at Pulsed Neutron Sources
Lecturer Dr. Jack Carpenter(Argonne National Laboratory)
Date Jan.. 30 (Tue.), 11:00-12:00
Place Rinkoshitsu 2 on the 2nd floor in the Building #4
Abstract

I discuss the general notion of time focusing of neutron scattering instruments at pulsed neutron sources. I provide examples in powder and single crystal diffraction, deep inelastic scattering and near-backscattering crystal analyzer spectroscopy.

 

Title Crystallographic Studies of the Purple Bacterial Photosynthetic Unit
Lecturer Dr. Aleksander W. Roszak
(Glasgow Biomedical Research Centre, University of Glasgow, Glasgow, UK)
Date Feb., 1 (Thu.), 13:30-14:30
Place Conference Room on the 2F in PF Kenkyu Building
Abstract

Photosynthesis is one of the most important biological reactions on  Earth. It provides all of the oxygen we breathe and, ultimately, all the food we eat. Purple photosynthetic bacteria have proved to be excellent model systems in which to study the light reactions of photosynthesis. Their light reactions usually begin with the absorption of a photon by the light harvesting (LH) or antenna system. This absorbed energy is then rapidly and efficiently transferred to the reaction center (RC), where it is used to initiate cyclic electron transport between the RC, cytochrome b/c1, and cytochrome c, producing a proton gradient that drives adenosine triphosphate (ATP) synthase and ultimately converts solar energy into useful chemical energy. These reactions take place in the photosynthetic unit, the PSU, located in the photosynthetic membrane, where the RC is surrounded by two types of antenna complexes, called LH1 and LH2. The LH1 antenna forms a stoichiometric complex with the RC, called the RC-LH1 core complex, while the LH2 antennas are located around the core.

Our crystallographic studies of the PSU of the purple non-sulphur bacteria include determinations of LH2 structure from Rhodopseudomonas (Rps.) acidophila and the structure of RC-LH1 core complex from Rps. palustris. We have also determined structures of several mutants of RC from Rhodobacter (Rb.) sphaeroides to study properties of electron transfer, and structures of the carotenoidless mutant R26.1 of RC either without carotenoid or reconstituted with either natural carotenoid spheroidene or synthetic 3,4-dihydrospheroidene. Most recently we have determined several structures of RC cocrystallised with brominated lipids or detergents in order to study lipid binding sites on the hydrophobic surface of RC. Some of the above structures will be presented in my talk in detail. (For further information, please contact S. Adachi.)

 

 

Title Time resolved X-ray diffraction on solutions of small organic molecules
Lecturer Dr. Qingyu Kong (ESRF)
Date Dec. 18 (Mon.), 14:00-15:00
Place Rinkoshitsu 2 on the 2nd floor in the Building #4
Abstract

Accurate determination of molecular structures has been one of the most
challenging and enduring subject in chemistry, especially the intermediates
with very short lifetime. Hard x-ray photons produced from synchrotron with
a wavelength of less than one angstrom can interact with not only the outer
shell but also the core electrons that directly indicate molecular geometry,
the x-ray diffraction is thus a powerful method to determine molecular
structures in both crystal and liquid phases. Time-resolved x-ray
diffraction that combines the spatial and temporal measurements can resolve
the molecular geometries of short-lived intermediates and free radicals in a
chemical reaction. In the talk, the optical pump and x-ray probe setup in
ID09 ESRF is introduced firstly, then the photodissociation reaction of
tetrabromomethane (CBr4) dissolved in methanol is used as an example to show
how the intermediate molecular structures are determined and the chemical
reaction processes are followed by this technique.

 

Title X-ray Lenses Fabricated by LIGA Technology
Lecturer Dr. Vladimir Nazmov, IMT
Date Dec. 6 (Wed.) 2006, 11:00-
Place Conference Room 2F in the PF Building
Abstract

X-ray refractive optical lens systems have been successfully elaborated,
designed, fabricated at the Institute for Microstructure Technology at
the Forschungszentrum Karlsruhe (Germany) using LIGA technology in
recent years. The lenses are structured in a SU-8 polymer. The
capability of the LIGA technique to create an arbitrary profile of the
focusing microstructures allow the fabrication of lenses with different
curvature radius of parabolic geometry, minimized absorption and a large
depth of focus. Also a set of planar lens systems on one substrate can
be realized with 17 lenses providing identical focal distances for
different X-ray energies from 2 to over 100 keV. Nickel lenses
fabricated by electroforming using polymer templates can be applied for
energies larger than 80 keV. The parabolic crossed lenses are used for
2D nano focusing of monochromatic beams. The quasi-parabolic crossed
lenses with a submicron focus and a focus depth of the centimetre range
can be used as an achromatic system. Mosaic truncated parabolic lenses
with a focusing aperture up to 1 mm are made to increase the X-ray
intensity in the focused spot.

Title Applications of synchrotron radiation at SSLS in Singapore
Lecturer Dr. Marian Cholewa
 (Singapore Synchrotron Light Source (SSLS), Singapore)
Date Dec. 5 (Tue.) 2006, 11:00-12:00
Place Conference Room 2F in the PF Building
Abstract

SSLS is in the routine operation with five beamlines since November 2003. Recent applications are related to micro/nano-fabrication, material science and the development of fourth generation synchrotron radiation sources. There is also a strong interest in Singapore in development and applications of synchrotron radiation in biology and medicine. The speaker has been involved in several new projects at SSLS, such as:
・High resolution and high sensitivity X-ray microscopy/microprobe. The old saying that <seeing is believingc has particular resonance for studying biological systems. Since 1677, when Anton van Leeuwenhoek used a simple light microscope to discover single cell organisms, scientists have relied on structural information obtained from microscopes with improving capabilities to advance understandings of how cells and biological systems work. In recent years, increasingly powerful imaging methods have provided more detailed views of biological systems. Recent results achieved at an existing phase contrast imaging and tomography (PCIT) beamline at the Singapore Synchrotron Light Source (SSLS) have shown that imaging with resolution down to 0.7 シm of 2-dimensional (2D) and 3-dimensional (3D) imaging could be extremely useful tool for different materials characterization, including biomaterials. The author will spend some time discussing future program for high resolution (down to 50 nm) at SSLS.

・Single cell irradiation system. While in Singapore he has been also involved in the development and applications of high resolution live cell high irradiation facilities with X-rays & ions which also will be discussed.
・Development of new detectors. Detectors used for detecting X-rays, ions and electrons play an important role in science and industry. The old detectors are being replaced recently by new generation detectors. The use of new nanomaterials as a material of choice for development of new detectors is a new concept.

 

Title XAS study of lithium battery materials
Lecturer Professor Guy OUVRARD
(Associate Director, Institut des Materiaux Jean Rouxel Nantes, France)
Date September 8 (Fri) 2006, 15:00-16:00
Place Conference Room 2F in the PF Building
Abstract

During the functioning of the lithium batteries, the electrode materials have to accommodate reversibly extra electrons and lithium atoms. This induces charge transfers and structural changes which may influence largely the behaviour of the electrodes and the performances of the batteries. X-ray Absorption Spectroscopy (XAS) has proved to be very efficient in characterizing the changes in the materials, in both the XANES and EXAFS parts.
After an introduction of the lithium batteries and the electrode materials, we will exemplify the power of XAS on three different compounds : LiNiVO4, Li1.1V3O8 and -MnO2. We will especially put in evidence the interest of a combination between the XAS data and first principles calculations of electronic structure and total energy.

 

Title Future Directions for the Advanced Photon Source
Lecturer Prof. J. Murray Gibson
(Associate Laboratory Director, Scientific User Facilities Director,Advanced Photon Source Argonne National Laboratory)
Date July 7 (Fri), 2006 11:00-12:00
Place Conference Room 2F in the PF Building
Abstract

The Advanced Photon Source (APS) is a 7-GeV storage ring x-ray source with 46 operating beamlines, and over 3200 unique users each year working in areas of science from engineering to medicine. In this talk I will describe the current state of the facility and highlight the science today, and in the future. In particular, I will discuss plans to upgrade the capabilities of APS.

 

Title Life Sciences at the ESRF, Past, Present and Future Developments
Lecturer Prof. Sine Larsen (Director of Research at the European Synchrotron Radiation Facility, ESRF)
Date July 6 (Thu), 2006 11:00-12:00
Place Conference Room 2F in the PF Building
Abstract

An overview will be given of the development of the life sciences programme at the ESRF since the facility became operational in 1994. Structural Biology comprises a very important component and the number of stations dedicated to macromolecular crystallography has grown from a half to seven over the past twelve years. Instrumentation development, automation and standardisation have been the keywords for the most recent developments of the macromolecular crystallography beamlines, not only at the ESRF but also at the European level. Another trend is the need for ancillary measurements in connection with the data collection, and for advanced laboratory facilities for all facets of structural biology adjacent to the synchrotron. The increasing crossfertilisation between the research in soft condensed matter and in structural biology represents a valuable development for both research areas. SAXS, WAXS, GID measurements will be used more in structural biology. In the future it can be expected that the application of imaging techniques (microscopy, coherent diffraction imaging) will be important to increase the knowledge in structural biology at the cellular level.

 

 

Title Time-resolved crystallography - a technique coming of age?
Lecturer Dr. Reinhard Pahl (Center for Advanced Radiation Sources, The University of Chicago, Chicago, IL, USA)
Date July 3 (Mon), 2006 11:00-12:00
Place Rinko-shitsu on the 2nd floor in the 4-go-kan
Abstract

Synchrotron radiation has profoundly influenced the field of macromolecular biology. Technological developments over the last decades have enabled new opportunities for rapid structure determination (structural genomics and proteomics) as well as the observation of short-lived structural intermediates during protein reactions. Utilizing the timing structure of the 3rd generation synchrotron radiation sources the laser pump - x-ray probe method was demonstrated in the early nineties, and developed to a mature technique with ~100ps time resolution in the following decade.
Meanwhile it has been successfully applied to numerous systems, e.g. the study of CO photo-dissociation and protein relaxation in myoglobin, the allosteric transition in hemoglobin (HbI), the photocycle of photoactive yellow protein (PYP) and catalytic reaction mechanism of various enzymes.

In this presentation I will provide a brief overview of the development of time-resolved crystallography, describe the present efforts at BioCARS Sector-14 at the Advanced Photon Source (APS), and discuss the challenges and opportunities for this technique at the next generation light sources.

 

Title Allosteric Action and Protein Structural Relaxation Studied by Time-resolved X-ray Crystallography
Lecturer Dr. Vukica srajer (BioCARS, The University of Chicago, Chicago, IL, USA)
Date July 3 (Mon), 2006 10:00-11:00
Place Rinko-shitsu on the 2nd floor in the 4-go-kan
Abstract

Time-resolved macromolecular crystallography is reaching a mature phase with demonstrated ability to detect small structural changes on ns and sub-ns time scale [1-6] and with important advances in the analysis of time-resolved crystallographic data, such as the use of Singular Value Decomposition (SVD) method to determine the structures of intermediates and elucidate the reaction mechanism [3-4]. We present results of ns time-resolved crystallographic studies of heme proteins: allosteric action in real time in cooperative dimeric hemoglobin and structural relaxation processes in myoglobin [1]. These pump-probe experiments were conducted at the BioCARS beamline 14-ID at the Advanced Photon Source (USA).

[1] Schmidt et al. PNAS 102 (33) 11704-11709 (2005);
[2] Ihee et al. PNAS 102 7145-7150 (2005);
[3] Rajagopal et al. Structure 13, 55-63 (2005);
[4] Schmidt et al. PNAS, 101, 4799-4804 (2004);
[5] Schotte et al. Science 300, 1944 (2003);
[6] Srajer et al. Biochemistry 40, 13802 (2001).

 

Title X-ray filming of reaction intermediates in solution phase
Lecturer Professor Hyotcherl Ihee(Department of Chemistry and School of Molecular Science (BK21)
Date June 30 (Fri), 2006 11:00-12:00
Place Rinko-shitsu on the 2nd floor in the 4-go-kan
Abstract

Through the advancement of computational methods, prediction of transient molecular structures has become relatively easy. In addition, molecular dynamics is now routinely studied on femtosecond time scales using various spectroscopies. However, typical spectroscopic methods cannot provide direct structural information of all nuclear coordinates involved in such dynamical processes, and direct experimental verification of such structures of short lifetime is difficult. Currently, the only available method that provides both direct structural information of atomic scale and ultrafast time
resolution of sub-picosecond and picosecond is time-resolved diffraction by either electrons or x-rays. Here we report direct structural observation of the long-sought bridged radical in solution using time-resolved liquid-phase x-ray diffraction. The structural dynamics spanning picosecond to
microsecond time scale has been experimentally determined in unprecedented structural details. In addition, we further extended this technique to study protein structural dynamics in solution. We obtained time-resolved SAXS (small angle x-ray diffraction) data from model proteins such as myoglobin and hemoglobin and preliminary analysis showed that the 3D structural changes of proteins can be monitored by time-resolved x-ray diffraction even in solution.

References:
1. Ihee et al. "Direct Imaging of Transient Molecular Structures with Ultrafast Diffraction" Science (2001) 291, 458.
2. Ihee et al. "Ultrafast X-ray Diffraction of Transient Molecular Structures in Solution" Science (2005) 309, 1223.

 

Title Photoionization and Excitation of Molecular Clusters in the Inner-Shell Regime
Lecturer Dr. Ioana Bradeanu (UVSOR)
Date June 23(Fri), 2006 14:00-
Place Conference Room on the 2F in the PF Building
Abstract

Core-to-valence transitions of molecular clusters containing pyridine are investigated in the C 1s- and the N 1s-regime. The vibrationally resolved 1s->πbands show in clusters the same shape as in the isolated molecule, but in the case of C 1s-excited pyridine clusters there is a redshift relative to the bare molecules of 110 meV and 60 meV, respectively. In contrast, there is a blueshift of 60 meV in small N 1s-excited pyridine clusters.

The experiments have been performed at the UE52-SGM beam line of the electron storage ring BESSY II (Berlin, Germany). Free clusters are prepared by adiabatic expansion of gas mixtures, using the seeded beam technique [1]. The samples are expanded through a nozzle (d = 50 μm) at room temperature (T0 = 300 K), so that most of the gas phase consists of seed gas. The cluster jet is shaped by a 500 μm skimmer. Finally, it is crossed with the beam of monochromatic soft X-rays in the ionization region of a time-of-flight mass spectrometer, where the cations are separated and detected. This approach allows us to measure reliably small energy shifts between the molecules and clusters.

The experimental results are assigned in comparison with ab initio calculations were the core-excited molecules and clusters are calculated using the GSCF3 package [2, 3]. We found that each element-selectively excited site within a cluster contributes to a distinct energy shift relative to the bare molecule, where the structure of the cluster plays an important role. Summation over all sites of the same element allows us to make a comparison with the experimental energy shifts. It is found that these can be related to structural properties of clusters, where the number of intermolecular neighbors in a cluster contributes significantly to the energy shift of the absorbing site, which is similar to recent work on benzene clusters [4]. This allows us to derive an assignment of site-specific spectral shifts in molecular clusters containing aromatic molecules as well as gas-to-solid shifts.

References

[1] R.E. Smalley, L. Wharton, and D.H. Levy, Acc. Chem. Res. 10, 13, (1977).
[2] N. Kosugi and H. Koroda, Chem. Phys. Lett. 74, 490, (1980)
[3] N. Kosugi, Theoret. Chim. Acta, 72, 149 (1987)
[4] I.L. Bradeanu, R. Flesch, N. Kosugi, A.A. Pavlychev, and E. Rühl, Phys. Chem. Chem. Phys. 8, 1906 (2006). DOI: 10.1039/b517199g.

 

Title The PETRA-3 project and the planned EMBL facilities in Hamburg for structural biology
Lecturer Drs. Christoph Hermes and Stefan Fiedler, EMBL Hamburg Oustation
Date May 23(Tue), 2006 10:00-11:00
Place Conference Room in the Stractural Biology Research Center Building
Abstract Background: Over the last 30 years the EMBL-Hamburg Outstation has built up synchrotron radiation (SR) beamlines in life sciences at the DORIS-III storage ring on DESY campus, Hamburg, Germany. At present, it operates five beamlines for applications in Macromolecular Crystallography (MX), one for Small Angle X-ray Scattering of Biological samples (BioSAXS) and one beamline for X-ray Absorption Spectroscopy of Biological samples (BioXAS). During 2000-05, more than 1500 external projects from research groups across the world (about 85% from Europe) have been carried out at the EMBL-Hamburg facilities. In addition, one of the largest high-throughput crystallisation facilities is been commissioned at present and will become externally available later in 2006. Recently, DESY has decided to convert the 2.3 km PETRA ring into a dedicated synchrotron radiation source (PETRA-III) with calculated optical parameters in terms of emittance, energy and beam divergence equal or even superior to leading synchrotron facilities world-wide. Project: The European Molecular Biology Laboratory (EMBL) has recently made a proposal for an Integrated Life Science Centre at PETRA-III (see Figure). First, the proposal is driven by the unique opportunities offered by PETRA-III to build SR beamlines for the most demanding applications in life sciences. Secondly, the proposal reflects the expressed needs by a large number of research groups from across Europe, requesting opportunities for the combined use or state-of-the-art SR beamlines and their integration into joint sample preparation and on-line data processing facilities. The proposed centre includes, at present: - Two MX beamlines; the first one will be tuned for microfocusing to allow testing and data acquisition of extremely small crystals of biological macromolecules; the second one will be tuned for applications over a large energy range to allow data acquisition at the absorption edges of a broad range of different elements to allow experimental phase determination, and specific applications, such as structures at ultra-high resolution, that require specific SR energy regimes. In addition, EMBL is offering assistance to become involved into the coordination of planning, construction and operation of a third MX beamline with focus on high-throughput applications, to be funded by other research organisations. - One BioSAXS beamline for large scale shape and quaternary structure analysis of individual macromolecules and functional complexes and for cutting edge applications such as ultra-fast kinetic studies. - A joint sample preparation area and data processing area, allowing to provide a complete pipeline for structural biology experiments using synchrotron radiation. A high-throughput crystallisation facility (currently under construction, externally funded) will be integrated into this area. The Integrated Life Science Centre will be located at the last two straight sections at PETRA-III. The close proximity of tits components will allow to establish direct pipelines ranging from the preparation and characterisation of samples, their transfer to SR beamlines, X-ray data acquisition and on-line data processing and interpretation, with options for remote experiment monitoring and operation. All endstations will be equipped with the state-of-the-art instruments to provide a user-friendly and highly automated experiment environment, permitting a high-throughput of experiments at the future PETRA-III beamlines. Our proposal has been approved and supported by two different reviewing panels and formally secured financial support is expected soon.

 

 

Title Structural tales of cockroaches, tails and blue fish
Lecturer Dr. Ramaswamy Subramanian, Associate Professor, Department of Biochemistry, University of Iowa
Date April 14 (Fri.), 2006 10:00-11:00
Place Conference Room in the Stractural Biology Research Center Building
Abstract Cockroach tale: The story of a species of cockroach that not only lays eggs but also replenishes its young ones with milk has an interesting side scene.
The embryo of these cockroaches crystallize a protein in their gut during gestation. These protein crystals, that diffract to atomic resolution are highly glycosylated. Our efforts at studying these crystals and structure determination will be presented.

 

Title Progress in Experimental Phasing and in Structure Refinement
Lecturer Mr. Gerard Bricogne (The president of Global Phasing Ltd.)
Date March 3, 2006 14:00-
Place Rinko-shitsu #1 on the 2F in 4-go-kan building
Abstract This talk will cover recent work on the treatment of radiation damage in SAD phasing in SHARP, and the incorporation of a new powerful optimiser in BUSTER-TNT after extensive re-examination of all the calculations of likelihood and its derivatives, as well as the provision of new utilities for defining high-quality stereochemical restraints for macromolecules and arbitrary ligands.

 

Title Protein Crystallography at the Australian Synchrotron
Lecturer Dr. Julian Adams ( Protein crystallography beamline scientist, Australian Synchrotron)
Date February 2, 2006 16:00-17:00
Place Conference Room 2F in PF building
Abstract The Australian Synchrotron is the new 3rd generation synchrotron source currently being built in Victoria, Australia. This 3GeV machine will come on-line for users in 2007. Funding for Phase 1 covers the construction of the machine and nine Phase 1 beamlines of which 2 are dedicated to Protein Crystallography.
I will present details of the Australian Synchrotron Project including an update on construction progress. I will then present our plans for the two protein crystallography beamlines.

 

 

Title CONSTRUCTION PROGRESS OF THE AUSTRALIAN SYNCHROTRON LIGHT SOURCE
Lecturer Dr. IGOR VORSOVSKII (ELECTRICAL ENGINEER, AUSTRALIAN SYNCHROTRON PROJECT)
Date January 16, 2006 15:30-16:30
Place Conference Room 2F in PF building
Abstract The presentation in Power Point format (approx. 50 min.) will cover the timeline and status of Australian Synchrotron Project (ASP) including construction photos. Also it will highlight the overview of Electrical Systems of the ASP and proposed beamlines.

 

Title Photocrystallography of complexes which undergo thermal or photo
excited phase transition : domain structure and charge density analysis
Lecturer Professor Claude Lecomte
   (LCM3B, UMR CNRS 7036, University Henri Poincare - Nancy 1)
Date December 15, 2005 10:00-11:00
Place Rinko-shitsu1 on the 2F in the 4-go-kan
Abstract Depending on the ligand force field, some Fe coordination complexes may undergo a LS/HS phase transition which can be thermo or photoexcited. Accurate crystallographic experiments performed in our laboratory and at ESRF will be presented: we will focus on the mechanism of the phase transition (isostructural, commensurate to incommensurate, domain structure), on the comparison between the photo excited and thermal LS and HS accurate structures. Finally, we will show that the photocrystallographic experiments can be precise enough to model the electron density of these metastable complexes in the case of Fe(btr)2, (NCS)2H2O, and Fe(Phen)2(NCS)2.

 

 

Title Time-Resolved Diffraction of Molecular Excited States
Lecturer Professor Philip Coppens
   (Department of Chemistry, SUNY Buffalo, NY 14260 USA)
Date December 12, 2005 9:30 - 10:30
Place Rinko-shitsu1 on the 2F in the 4-go-kan
Abstract Although ground-state structure determination is quite routine, the determination of transient species offers considerable challenges. To meet this challenge, time-resolved diffraction on a microsec time-scale has been implemented at the 15-ID Chem/Mat CARS beamline at the Advanced Photon Source. The analysis of 3 types of complexes has been completed so far: a) binuclear Pt and Rh complexes in which the metal-metal distance shortens by as much as 0.85(4) %ュ in [Rh2(dimen)4](PF6)2. b) Cu(I) dimethylphenanthroline photosensitizer dyes in which the molecular geometry is changed by metal to ligand charge transfer. c) the trinuclear Cu(I) complex [3,5-(CF3)2pyrazolateCu]3, in which reversible intermolecular Cu-Cu bond formation occurs. The experiments are complemented by parallel theoretical calculations.
A fast shutter of novel design has been developed and is now being applied in sub-microsecond studies. The advantages and disadvantages of monochromatic vs. pink-beam Laue techniques will be discussed.

 

Title Present Status of SSRF Project and its Beamline Program
Lecturer Prof. Jianhua He
(Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, China)
Date December 2, 2005 10:00-11:00
Place Rinko-shitsu1 on the 2F in the 4-go-kan
Abstract Shanghai Synchrotron Radiation Facility is designed to be an advanced third generation synchrotron radiation light source with the storage ring energy at 3.5GeV. It can produce very brilliant photon beams both in X-ray and soft X-ray region, which will facilitate the researches in life science, material science, earth and environmental science and many other fields.
The construction of SSRF started last year and is now in full swing.
Phase I beamlines on SSRF have been designed and the program for further beamlines is under planning. The overview of progress of SSRF project and beamline program will be presented, and the main design features of phase I beamlines will be presented as well.

 

Title Diamond and the Phase 1 MX Beamlines
Lecturer Dr. Liz Duke (Diamond Light Source)
Date October 19, 2005 10:00-10:45
Place Conference Room has been changed from the one in the Structural Biology Bldg to the one in the PF Building 2F.
Abstract Diamond Light Source is the new 3rd generation synchrotron source currently being built at the Rutherford Appleton Laboratory just south of Oxford in England. This 3GeV machine will come on-line for users in 2007. Funding for Phase 1 covers the construction of the machine and seven <Phase 1c beamlines of which 3 are dedicated to Macromolecular Crystallography.
In my talk I will present details of the Diamond project including an update on construction progress so far. I will then present our plans for the three Phase 1 MX beamlines.

 

Title Diamond beamline I24: An instrument for macromolecular micro-crystallography
Lecturer Dr. Gwyndaf Evans (Diamond Light Source, Rutherford Appleton Laboratory)
Date October 19, 2005 10:45-
Place Conference Room has been changed from the one in the Structural Biology Bldg to the one in the PF Building 2F.

Abstract Beamline I24 at Diamond is being designed in order to meet the challenges of structural biology of membrane proteins and large macromolecular complexes. Crystals of these molecules are notoriously difficult to grow to sizes appropriate for use on standard 3rd generation beamlines where beam sizes are typically 30 - 100_m. To address problems where crystals of only 30_m or less are available a dedicated microfocus macromolecular crystallography beamline is being constructed at Diamond. The beamline will be capable of delivering a focused beam of 5 - 100_m onto a crystal sample with high positional and high flux stability over a large range of frequencies. The beamline concept will be presented along with proposed solutions for improving the stability and quality of the focused X-ray beam.
Title Present Status of INDUS-I and INDUS-II
Lecturer Dr. Vinod Sahni, Director of CAT, Indore, India
Date October 5, 2005 13:30 - 14:30
Place Conference Room in the PF Building 2F

Abstract Present status of INDUS-I and INDUS-II is reported. INDUS-I is a 450 MeV synchrotron light source at CAT and has been operational from 1999. The construction of INDUS-II, a 2.5 GeV synchrotron light source at CAT, has been completed, and the commssioning of the machine has started. CAT has observed the beam circulate in the ring on August 27.

 

Title NEUTRON AND X-RAY SCATTERING STUDIES OF TOXIN ASSAULT ON MODEL LIPID MEMBRANE
Lecturer Dr. J. Majewski(Manuel Lujan Neutron Scattering Center, Los Alamos National Laboratory, USA)
Date July 5, 2005 10:30-11:30 has been changed to July 4, 2005 10:00-
Place 4-go-kan 2F Rinko-shitsu1

Abstract Many bacterial toxins bind to and gain entrance to target cells through specific interactions with membrane components. One such example is cholera toxin (CTAB5), a pathologically active agent secreted by the bacterium Vibrio cholera. The toxin has an AB5 arrangement of subunits. Five identical B subunits (CTB5), each composed of 103 amino acids, form a pentameric ring with a vertical height of 3.2 nm and a radius of 3.1 nm CTB5 is responsible for binding the toxin to its cell-surface receptor, ganglioside GM1. The single A-unit is a disulfide-linked dimmer composed of an A1 and A2-subunit that is aligned through the central pore "doughnut hole" of the B5 subunit. It has been proposed that the A1 peptide crosses the cell membrane and reaches the cytoplasmic face. There, it interacts with integral membrane proteins, disrupting their normal function, resulting in a large efflux of water and ions from the cell (severe diarrhea). Although much is known about the structure and catalytic activity of cholera toxin, the mechanism by which cholera toxin crosses the plasma membrane remains unknown.
Using neutron/x-ray reflectivity and x-ray grazing incidence diffraction (GID), we have characterized the structure of mixed DPPE:GM1 lipid monolayers before and during the binding of CTAB5 or its B subunit CTB5. Structural parameters such as the density and thickness of the lipid layer, extension of the GM1 oligosaccharide headgroup, and orientation and position of the protein upon binding are reported. Both CTAB5 and CTB5 were measured to have ~50% coverage when bound to the lipid monolayer. X-ray GID experiments show that both the lipid monolayer and the cholera toxin layer are crystalline.

 

Title Single-bunch Operation, the generation of ultra-short light pulses at storage rings and their applications
Date February 28 (Mon) - March 1(Tue), 2005
Place KEK International Center Rounge 1, 2
Cosponsored by Japan Society for Promotion of Science(JSPS)
Chinese Academy of Science (CAS)
High Energy Acclerator Research Organization(KEK)

URL http://pfwww.kek.jp/cus/2005/

 

Title Vibrationally resolved photoelectron angular distributions for K-shells of CO and N2 molecules
Lecturer Prof. Nikolai Cherepkov (State University of Aerospace Instrumentation, Tohoku Unviersity)
Date February 28, 2005 (Mon) 13:30-14:30
Place PF Building, Conference room on 2F
Abstract Partial photoionization cross sections and the angular asymmetry parameter beta for the C and O K-shells of CO molecule have been calculated in the relaxed core Hartree-Fock approximation with a fractional charge of the ion, which was fitted from the condition to get an agreement with the experimental position of the sigma* shape resonance.  Vibrational motion was taken into account by averaging the dipole amplitudes over the inter-nuclear distances R with the vibrational wave functions of the initial and final states. A good agreement was found with the results of recent experiments. The similar calculations for the gerade and un-gerade K-shells of N2 molecule in the random phase approximation revealed a great influence of many-electron correlations on the symmetry and vibrationally resolved angular asymmetry parameter beta for the un-gerade K-shell, in a good agreement with the most recent experimental data from the Dr. Ueda's group. The existence of the correlational maximum in the partial photo-ionization cross section for the un-gerade K-shell predicted earlier by theory was also confirmed by this group.

 

Title Critical and Glassy Dynamics in Non-Fermi-Liquid Heavy-Fermion Metals
Lecturer Prof. D.E. MacLaughLin (University of California)
Date February 1, 2005 (Tue) 14:00-15:00
Place 4-go-kan Building, 2F Rinkoshitu 1

 

Title Present status and future prospects of Linac Coherent Light Source
Lecturer Prof. Keith Hodgson, Director, Stanford Synchrotron Radiation Laboratory
Date January 24, 2005 (Mon) 14:00-15:00
Place PF Building 2F Conference room

 

Title Interface structure of photonic multilayers prepared by plasma enhanced chemical vapor deposition
Lecturer Dr. Hyeonjae Kim
(a Visiting Research Fellow, Mitsubishi Chemical Science and Technology Research Center)
Date January 13, 2005 (Thu) 10:30-11:30
Place 4-go-kan (4th Building) 2F Rinkoshitsu1
Abstract

The structures of substrate/layer, layer/layer, and layer/air interfaces in optical multilayers made using plasma enhanced chemical vapor deposition (PECVD) have been probed for the first time using neutron reflectivity and X-ray reflectivity. The basic principle of the reflectivity will be discussed and the benefit of using both of the reflectivities will be emphasized.
From the point of view of optical applications the interfaces are extremely sharp, sharper than is often achievable with the self-assembly of block copolymers or deposition techniques in which the polymer layers contact while in a fluid state. The average interface width, aI, between layers made from different precursors is about 40 Angstrom (16 Angstrom rms). The layer/layer interfaces are generally 2-3 times broader than the layer/air interfaces. Polymeric fluorocarbon films deposited on a Si substrate using PECVD with octafluorocyclobutane (OFCB) monomer show uniform scattering length density with depth except for a region of molecular thickness immediately adjacent to the substrate. Films made from deuterated benzene show uniform density throughout the film thickness.

Reference
H. Kim, M. D. Foster, H. Jiang, S. Tullis, T. J. Bunning, C. F. majkrzak, Polymer 45 (2004) 3175.

 

Title Observation of Fragile-to-Strong Liquid-Liquid Transition in Deeply Supercooled Confined Water by Quasielastic Neutron Scattering
Lecturer Prof. Sow-Hsin Chen
(Department of nuclear Engineering, Massachusetts Institute of technology)
Date December 21, 2004 (Tue) 11:00-12:30
Place 4-go-kan (4th Building) 2F Rinkoshitsu1
Abstract

Confining water in lab synthesized nanoporous silica matrices MCM-41-S with pore diameters in the range of 10 to 18 Å, we have been able to study the molecular dynamics of water in deeply supercooled states, from 350 K down to 200 K, including a range of temperatures inaccessible to bulk water.. Using two high-resolution quasielastic neutron scattering instruments available in NIST CNR and analyzing the data with a new relaxing cage model formulated by us, we determined the temperature variation of the average translational relaxation time and its Q-dependence. We find a clear evidence of an abrupt change of the temperature dependence of the relaxation time from a non-Arrhenius to an Arrhenius behavior at T = 225 K, which we interprete as the predicted fragile-to-strong liquid-liquid transition in supercooled water. Our more recent inelastic neutron scattering measurements of the librational density of states indicate that the transition is related to the structural change of the hydrogen-bond cage around the water molecule.

Collaborators: A. Faraone (MIT), L. Liu (MIT), C.-Y. Mou (NTU), C.-W. Yen (NTU)

 

Title Determination of crystal structures based on powder diffraction data
Lecturer Prof.L.A.Aslanov (Department of Chemistry, Moscow State University, Deputy Director of International Uniuon of Crystallography)
Date December 9, 2004 (Thu) 11:00-12:00
Place 4-go-kan (4th Building) 2F Rinkoshitsu1
Abstract

A major advance in recent years has occurred in the determination of crystal structures ab initio from powder diffraction data. Two approaches for determination of molecular crystal structures will be discussed and compared: simulated annealing and grid search which were developed by V.V.Chernyshev in laboratory of Structural Chemistry of Moscow University in close collaboration with Prof.H.Schenk (Amsterdam). A few examples will be considered including unexpected molecular structure of 2,4-dinitro-N-phenyl-6(phenylazo)-benzamide and related compounds. Spectroscopic methods produced incorrect starting model of molecular structure for mentioned compound but grid search built a real molecular structure. It was found that solution of the crystal structure depends on grid increment and grid search is more reliable than simulated annealing.

 

Title Observation of quantum interference arising from a superposition of macroscopically distinct tunneling states for protons in the KHCO crystal from 14 to 300 K
Lecturer Dr. F. Fillaux (LADIR-CNRS, rue H. Dunant, 94320 Thiais, France. )
Date December 7, 2004 (Tue) 10:00 -
Place 4-go-kan (4th Building) 2F Rinkoshitsu1
Abstract

We propose a theoretical framework for macroscopic quantum entanglement based on the crystal symmetry and the Pauli principle. Scattering functions calculated for neutron diffraction by entangled double-lines of protons in one dimension, or entangled grating structures in two dimensions, or entangled sublattice of protons in three dimensions compare favorably with observations. Some consequences to paradoxes at the heart of quantum mechanics are discussed: non locality, theory of measurement, boundary between quantum and classical worlds, Schršinger's Cat, etc.

 

Title Current Status of Materials Science Research at Research and Development Centre for Materials Science and Technology, Batan
Lecturer Dr. Syarofie Ridwan
(Research and Development Center for Materials Science and Technology, BATAN)
Date November 30, 2004 (Tue) 16:00-16:40
Place 4-go-kan (4th Building) 2F Rinkoshitsu1
Abstract

Research and Development Center for Materials Science and Technology (RDCMST), instead of Materials Science Research Center after the reorganization of Batan establihed at January 2001. The main activity of the center is to carry out the research and development of materials science. For that, the center have equipped with some neutron facilities and supported by others non-neutronic facilities. In this presentation it will be described about the Organization Structure of Batan,Organization Structure of RDCMST, Human Resources at RDCMST, Facilities and Current Research Activities. However, in this occasion it will be discussed mainly about current research activities at Advanced Materials Science Division, related to the magnetic, superionic and superconductor materials.



Title Femto-Second Studies of the Metal-Insulator Transition
Lecturer Dr. Andrea Cavalleri(Materials Sciences Division, Lawrence Berkeley National Laboratory, U.S.A.)
Date November 22, 2004 (Mon) 14:00 - 15:30
Place 4-go-kan (4th Building) 2F Rinkoshitsu1
Abstract

Dr. Cavalleri investigates time-resolved analysis of phase transition and related phenomena along with the development of the ultra-fast optical measurements and structural analysis. For examples, the propagation of the strain wave generated in GaAs crystals by laser irradiation was analyzed by means of the x-ray diffraction having the time-resolution of within 10 psec; the photo-induced insulator-to-metal transition in VO2 was examined with the reflection spectra and x-ray diffraction with the time-resolution of within 100 fsec. The European Science Foundation awarded him the first" European Young Investigator Award". In the occasion of his visiting to Japan, we will have his lecture, in which the techniques having more superior time-resolution will be described.

 

Title Diffraction physics with polarized x-rays:Recent developments and current challenges
Lecturer Dr. C. Detlefs (European Synchrotron Radiation Facility, Grenoble )
Date November 4, 2004 (Thu) 10:00 - 11:00
Place PF Kenkyu-to Building 2F Conference room
Abstract

 Although linear polarization analysis of the diffracted x-ray beam has become a routine method, especially in magnetic x-ray scattering, experimental conditions are still far away from perfection. This is even more true for the use of x-ray phase plates, which may be employed to change the polarization of the incident beam.
 This talk will discuss recent developments on the technical, experimental and theoretical side, and it will outline the remaining challenges that need to be addressed in the near future. To show an example where x-ray diffraction with polarization analysis significantly improved our understanding of a sample, I will present our recent results on NpO2.

 

Title Revealing the Nature of Double Band Superconductivity in MgB2 with Neutrons
Lecturer Dr. Robert Cubitt (ILL, France)
Date October 20, 2004 (Mon) 13:30-14:30
Place 4-go-kan, 2F, Rinko-shitsu 1
Abstract

 Small-angle neutron scattering (SANS) measurements of the vortex lattice in single crystal and powder samples of MgB2 - a two band superconductor, are presented. SANS is a powerful method allowing us to measure directly the distribution of vortex separations and hence the anisotropy of the penetration depth, γλ. Single crystal results show the expected rise of γλwith applied field as the weaker, almost isotropic, p-band is suppressed. Results from the powder samples do not show as significant a rise in γλ with field. We believe this originates from 'averaged' properties of the penetration depth experienced by vortices in each multi-crystallite powder grain.

[Reference]
1)Experimental Evidence for Anisotropic Double-Gap Behavior in MgB2, PRL 90 (2003) 157002.
2)Effects of Two-Band Superconductivity on the Flux-Line Lattice in Magnesium Diborid.


 

Title Watching proteins function with 150-picosecond time-resolved X-ray crystallography
Lecturer Dr. Philip A. Anfinrud (Laboratory of Chemical Physics/NIDDK, National Institutes of Health, USA)
Date September 6, 2004 (Mon) 13:30-14:30
Place 4-go-kan, 2F, Rinko-shitsu 1
Abstract

Proteins are engaged in a myriad of tasks that are essential to life. These tasks are carried out with exquisite selectivity and efficiency, the likes of which are extremely difficult to duplicate in artificial model systems. To gain a mechanistic understanding into how proteins execute their designed function, it is crucial to know how their structures evolve over time. We have developed the method of pico-second time-resolved macromolecular crystallography on the ID09B beam-line at the European Synchrotron and Radiation Facility, and used this technique to determine protein structures with 150-ps time resolution and < 2-? spatial resolution. We used myoglobin (Mb), a ligand-binding heme protein found in muscle, as a model system for probing protein-mediated ligand migration. In these experiments, pico-second laser pulses triggered CO dissociation from Mb and time- delayed X-ray pulses took "snapshot"of the protein structure. A series of snapshots were stitched together into a movie to unveil in atomic detail the correlated conformational changes that influence the rates and pathways of ligand migration. We studied both wild-type and the L29F mutant [1] of Mb. This mutation enhances the oxygen binding affinity by about an order of magnitude, and slows its rate of auto-oxidation by a comparable amount [2]. Moreover, it accelerates the expulsion of toxic CO from the primary docking site by nearly 3 orders of magnitude. A side-by-side comparison of wild-type and L29F structural dynamics unveils the origins for the dramatically different CO migration dynamics.

References
[1] - F. Schotte, M. Lim, T.A. Jackson, A.V. Smirnov, J. Soman, J.S. Olson, G.N. Phillips, Jr., M. Wulff, and P.A. Anfinrud, Science, 300, 1944 (2003).
[2] - T. E Carver, R. E Brantley, Jr., E. W. Singleton, R. M. Arduini, M. L. Quillin, G. N. Phillips, Jr., J. S. Olson, J. Biol. Chem. 267, 14443 (1992)

 

 

Title The recent research progress of ions self-irradiation effects and related phase transformations in nanostructues
Lecturer Professor Zhu Zhiyuan (Shanghai Institute of Applied Physics)
Date August 3, 2004 (Tue) 16:00-17:00
Place 4-go-kan, 2F, Rinko-shitsu 1
Abstract

Low-dimensional quantum antiferromagnetism is characterized by the weakness The recent experimental research progress of nanostructures under ions irradiation will be reported.
The molecular dynamics computation predicted that ion irradiation could also join single-walled carbon nanotubes[1]. Employing carbon ion irradiation on multi-walled carbon nanotubes, we find that the various molecular junctions of amorphous nanowires are formed by welding from crossed carbon nanotubes during the process. It demonstrates that ion-beam irradiation could be an effective way not only for the welding of nanotubes but also for the formation of nanowire junctions[2].
A simple way for the transformation of CNTs to nanocrystalline diamond has been developed[3]. Structural phase transformation from multi-walled carbon nanotubes to nanocrystalline diamond by hydrogen plasma post-treatment was carried out.
Single crystalline diamond nanorods with diameters of 4~8 nm and with lengths up to 200 nm have been successfully synthesized by hydrogen plasma post-treatment of multi-walled carbon nanotubes[4].

[1] A.V.Krasheninnikov et al, Phys. Rev. B66 (2002) 245403
[2] Z.X.Wang et al. Phys.Lett. A324(2004) 321
[3] L.T.Sun et al. Appl. Phys. Lett., Vol. 84, No.15 (2004) 2901
[4] L.T.Sun et al. Advanced Materials accepted 2004

 

 

Title Excitations in One-Dimensional and Quasi-One-Dimensional Spin Liquids
Lecturer Professor Goetz S. Uhrig (Institut fur Theoretische Physik, Universitat zu Koln, Germany)
Date June 30, 2004 (Wed) 10:00-11:00
Place 4-go-kan, 2F, Rinko-shitsu 1
Abstract

Low-dimensional quantum antiferromagnetism is characterized by the weakness or even absence of long-range order. Thus one has to deal with so-called spin liquids. The elementary excitations of such systems have mostly spin S=1; they are triplons [1]. We calculate the dispersion of such triplons and the resulting spectral functions of dimerized spin chains [2], of spin ladders [3] and of coupled spin ladders. The results are relevant for inelastic neutron scattering and inelastic light scattering and for optical absorption.
In particular, we show how the result for a one-dimensional system can be extended to a quasi one-dimensional systems by perpendicular couplings. The magnetic structure factor S(ω) observed in striped cuprate superconductors [4] is explained in this way. A crossover is found from magnon-like to triplon-like excitations as function of energy.

[1] K.P.Schmidt, G.S.Uhrig, Phys.Rev. Lett.90, 227204 (2003)
[2] K.P.Schmidt, C.Knetter, G.S.Uhrig, Phys.Rev.B, in press, cond-mat/0307678
[3] C.Knetter, K.P.Schmidt, M.Gruninger, G.S.Uhrig, Phys. Rev. Lett.87, 167204 (2001);
K.P.Schmidt, C.Knetter, M.Gruninger, G.S.Uhrig, Phys.Rev.Lett 90, 167201 (2003)
[4] J.M.Tranquada et al., Nature .429, 534 (2004)


 

Title BSRF: The status, the upgrading and the research in the structure of proteins
Lecturer Professor Dong Yuhui(Beijing Synchrotron Radiation Facility, Institute of High Energy Physics)
Date June 4, 2004 (Fri) 13:30-14:30
Place PF Kenkyuto 2F Conference Room
Abstract

Beijing synchrotron radiation facility (BSRF) started in operation in 1990. After the upgrading completed in 2003, totally 13 beamlines are provided to the users. The research fields cover physics, chemistry, electronic, materials, geo-science, biology and medical application. Now Beijing electron positron collider (BEPC) will upgrade to BEPCII, while BSRF will also improve. The research in the structure of protein in BSRF began right after the construction of the biological macromolecule crystallography beamline 3W1A. Besides the crystallography, other beamlines, such as XAFS (1W1A), SAXS(4B9B) and VUV-CD (3B1) also involved. More than 20 protein structures were determined and some research in the structure-function relationship of proteins are launched. 

 

Title SESAME, Synchrotron radiation for Experimental Science and Application for the Middle East 
Lecturer Professor Mahmoud Al-Kofahi(Al-Balqa Applied University, Jordan)
Date March 18th, 2004 (Thu) 16:00-17:00
Place PF Kenkyuto 2F Conference Room
Abstract

The SynchrotronLight for Experimental Science and Application in the Middle East (SESAME) was established in 2001 under the auspices of UNESCO as an international scientific project to enhance science and its technological applications, and to promote peace in the Middle East region. It will have as it centerpiece a synchrotron light source originating from BESSY I, given as a gift by Germany. The upgraded machine, a 3rd generation 2.5 GeV machine, light source with an emittance of 25 nm.rad and 13 places for insertion devices, will provide light from the far infra-red to X-rays up to 20 keV energy and beyond. As of January 2004, the founding members of SESAME are: Bahrain, Egypt, Iran, Israel, Jordan, Pakistan, Palestinian Authority, Turkey and United Arab Emirates. The facility is located in Allan, Jordan, about 30 km North-West of Amman. Jordan is providing the site and funds for the construction of a new building on which the construction began in July 2003.

 

題 目
Photoemission Electron Microscopy: PEEM and other tools to image catalytic surface reactions
講 師
Prof. Dr. Harm Hinrich Rotermund(Fritz-Haber-Institut der Max-Planck-Gesellschaft)
日 時
March 4th, 2004 (Thu) 11:00-
場 所
PF Kenkyuto 2F Conference Room
講演要旨
This talk focuses on imaging of dynamic processes on surfaces, using light to illuminate the area of interest. The main emphasis will be on pattern formation during CO-oxidation on Pt surfaces. The most recent imaging techniques, mainly Ellipso-Microscopy for Surface Imaging (EMSI), based on an ellipsometry effect, and Reflection Anisotropy Microscopy (RAM) using different reflectivity properties of non-isotropic surfaces, expand the range of observable pressure conditions formerly only accessible by the Photoemission Electron Microscope (PEEM) by many orders of magnitude, thus bridging the pressure gap in imaging surface reactions. The underlying contrast mechanism of EMSI and RAM in comparison to that of a PEEM will be discussed.
Simple surface reactions like the CO-oxidation on single crystal Pt surfaces show a rich variety of pattern formation under specific reaction parameters. For a certain range of those control parameters, which are the partial pressures of the reactants and the temperature of the sample, self organization in form of pattern formation like spiral waves, target patterns, solitary waves and standing waves including chaotic behavior can be observed. These patterns have been successfully modeled using numerical simulations for the underlying reaction diffusion equations.
The interaction of a multitude of micrometer scale concentration waves and fronts on the surface complicate our understanding the underlying mechanisms for such pattern. Several ways of experimentally controlling these patterns, e. g. by micro-designed composite surfaces, or by impressing a feed back controlled locally varying temperature field onto the surface, will be discussed. Experiments with modified catalytic activity using stationary, inactive boundaries have therefore been designed to isolate individual features (for example single pulses) and interaction mechanisms in order to study them quantitatively [1]. Recently we have been able to dynamically change the surface catalytic activity in real time and space by focusing an addressable laser beam to differentially heat a Pt(110) single crystal surface [2]. Video sequences will demonstrate the great richness of spatio-temporal pattern formation during heterogeneously catalyzed surface reactions [3].

[1] M. Pollmann, H. H. Rotermund, G. Ertl, X. Li, and I. G. Kevrekidis, Phys. Rev. Lett. 86, 6038 (2001).
[2] J. Wolff, A. G. Papathanasiou, I. G. Kevrekidis, H. H. Rotermund, G. Ertl, Science 294, 134-137 (2001).
[3] J. Wolff, A. G. Papathanasiou, H. H. Rotermund, G. Ertl, X. Li, I. G. Kevrekidis, J. Cat. 216, 246, (2003)

 

Title Protein Structure-Function Analyses; The Road from Prediction to Confirmation
Lecturer Prof. Zehra Sayers(Sabanci University, Faculty of Engineering and Natural Sciences)
Date January 16 (Fri.), 2004 16:30-18:00
Place

Conference Room in the Structural Biology Bldg.

Abstract

Understanding structure-function relationships provide insights for fundamental processes in biological systems, indicate directions for designing new molecules and engineering modifications. Methods for experimental structure determination and protein structure modeling have been rapidly developing over the last decade allowing prediction of structure-function relationships. We have been involved in structural analyses of low molecular weight metal binding proteins metallothioneins (MTs) with a view of developing new metal tolerance and metal scavanging systems in plants.
MTs are small, cystein rich proteins present in a wide range of organisms including fungi, plants and mammalian systems. Although the main function of this protein family is not yet known, they appear to be involved in heavy metal detoxification, and zinc and/or copper regulation.
A new MT gene sequence has been identified in Triticum durum (pasta wheat) genomic DNA, Analyses of the gene structure and the sequence of the putative protein indicate that T. durum MT (dMT) can be classified as a Type 1 MT with typical cystein rich motifs in N-and C-termini. dMT was overexpressed in E.coli as a GST fusion and in the presence of the fusion protein bacteria showed increased tolerance to Cd in the growth medium when compared with controls expressing only GST. Recombinant GST-dMT and dMT were biochemically characterized, and in parallel the 3-D structure of dMT was modeled using bioinformatics tools. Results indicate a high structural similarity with the mammalian MT-1 protein for the metal centers and the long hinge region connecting the metal centers, modeled separately, appears to be where possible protein-protein and/or protein-DNA interaction sites are located. These results are discussed in the light of small angle solution X-ray scattering measurements and possible function(s) MT in plants.

 

Title Time-Resolved Diffraction with Electron or X-ray Beam 
Lecturer Dr. Hyotcherl Ihee (Department of Chemistry, Korea Advanced Institute of Science and Technology)
Date November 18(Tue.), 2003 13:30-14:30
Place

4-go-kan(4th Building), 2F Rinkoshitsu1

Abstract

I review and compare various time-resolved diffraction techniques, and discuss the general advantages of diffraction over spectroscopy in the study of structural dynamics in chemical and biological systems. Diffraction experiments can be distinguished by whether electron or x-ray is used and whether Bragg scattering or diffuse scattering is detected. The advantages and limitations of each diffraction experiment are discussed in light of atomic resolution, time resolution, practicality, the size of accessible molecules, and the phase of sample. Most time-resolved diffraction studies have been conducted by using x-rays rather than electrons, while most time-resolved electron diffraction has been so far confined to small molecules in gas phase or a thin film of simple metal. The feasibility of two new classes of experiments will be discussed: 1) time-resolved x-ray diffuse scattering (SAXS/WAXS) or powder diffraction on macromolecules and 2) the use of relativistic electrons for time-resolved electron diffraction. The first is to overcome the fact that routine production of well-diffracting crystals is the pre-requisite and bottleneck for time-resolved macromolecular crystallography. The second is to extend the applicability of electron diffraction beyond small molecules in gas phase and to achieve femtosecond time resolution.

 

Title An insight into ADP/ATP translocation :The structure of mitochondrial ADP/ATP carrier at 2.2 resolution 
Lecturer Dr. Eva Pebay-Peyroula (Institut de Biologie Structurale, Grenoble)
Date November 13(Thu.), 2003 14:0-
Place

Conference room at the Structural Biology Bldg.

Abstract

Specific transport through the inner mitochondrial membrane is achieved by carriers which form a large transport family: MCF for mitochondrial carrier family. The exchange of ADP and ATP is of particular significance, as may be illustrated by the fact that human beings daily consume their own weight of ATP. Therefore, regeneration of ATP in mitochondria needs an efficient machinery able to import ADP and to export ATP. This transport is achieved by a membrane protein, the ADP/ATP carrier. We have solved the bovine carrier structure at a resolution of 2.2 by X-ray crystallography in complex with an inhibitor, carboxyatractyloside. The structure consists of six a-helices that form a compact transmembrane domain. At the surface oriented towards the space between inner and outer mitochondrial membranes, the protein has a deep depression. The RRRMMM motif, the signature of nucleotide carriers, is located at the bottom of the pit, and spans over the thinnest part of the protein. In combination with earlier biochemical results and our structure we suggest that transport substrates bind to the bottom of the cavity and that translocation results from a transient transition from a 'pit' to a 'channel' conformation.

 

Title XAS at the ESRF: Activities on BM29 and ID24
Lecturer Dr. Sakura. Pascarelli ( ESRF )
Date November 7 (Fri.), 2003 15:00-16:00
Place

Photon Factory Kenkyu building 2F Conference room

Abstract

I will introduce the two EXAFS beam lines of the X-ray Absorption and Magnetic Scattering Group, BM29 and ID24.
A large portion of beam time on these two beam lines is dedicated to XAS studies in extreme conditions. I will show some recent results in this field. In particular, I will focus on a study on the pressure dependence of ion hydration in aqueous solutions performed on BM29 using a Paris Edinburgh Press and on a study of the evolution of the electronic structure and of the intramolecular distances in solid halogens as a function of pressure, performed on ID24 using a Diamond Anvil Cell.
Another important field of application of ID24 is dedicated to in-situ studies on heterogeneous catalysts. I will show an example of "in-situ" time resolved XAS study devoted to elucidate the correlation between the activity and selectivity of the catalyst and the structural modifications around the metal center.

 

 

Title X-ray absorption, X-Ray Magnetic circular dichroism and molecular magnetism
Lecturer Emeritus professor M. Verdaguer(Chimie Inorganique et Materiaux Moleculaires, Unite CNRS 7071 Universite Pierre et Marie Curie, Paris)
Date November 5(Tue.), 2003 13:30-
Place

4-go-kan(4th Building), 2F Rinkoshitsu1

Abstract

The lecture first defines molecular magnetism, a scientific discipline which conceives, designs, synthesizes, characterizes and uses molecular magnetic materials with new but predictable magnetic properties.
Then the lecture points out how X-ray absorption spectroscopy, thanks to its specificity (chemical selectivity, orbital selectivity and no constraints on the state of the samples) can be useful to solve problems in molecular magnetism and in particular in bimetallic molecular assemblies : (i) local structure (EXAFS at K edge) ; (ii) local electronic structure of the absorber and nature of the chemical bonding(K and L2,3 edges) ; (iii) local magnetic properties of the absorber (XMCD at K and L2,3).
The lecture uses examples chosen in the chemistry of bimetallic Prussian blue analogues (room-temperature vanadium-chromium magnets and photomagnetic cobalt-iron analogues), high spin molecules (CrNi6 and  CrMn6) and cobalt-iron magnetic magnetic nanowires.

 

Title X-ray Absorption Spectroscopy: From Biology to Archaeology 
Lecturer Prof. Farideh Jalilehvand(University of Calgary, Calgary, Canada)
Date May 29(Thu.), 2003 15:30-16:30
Place

4-gokan (Building No.4) 2F Rinkoshitsu 1

Abstract Synchrotron-based X-ray absorption spectroscopy (XAS) is an element specific, non-destructive technique revealing the local structure around an absorbing atom, even in low concentration. The X-ray absorption near edge structure (XANES) provides information on the oxidation state, electronic configuration and bonding of the absorber, and has recently been explored for speciation in natural samples of some environmentally important elements, such as sulfur. The extended X-ray absorption fine structure (EXAFS) yields bond distances, type and number of coordinating atoms.
For modeling the active site in the sulfite oxidase family of enzymes, three Mo(V,VI) monodithiolene complexes were characterized by XAS methods. By comparing with XANES and EXAFS data of chicken sulfite oxidase, the Mo(VI) complex, [MoO2(SC6H2-2,4,6,Pri3)(bdt)]1- (bdt= benzene-1,2-dithiolate), was found to be an accurate structural analogue of the oxidized site of this enzyme.
Sulfur speciation is essential to connect the effects of sour gas exposure to the sulfur metabolism in plants. Analyses of sulfur XANES spectra of fresh, intact plant leaves from several locations in California and near a sour gas source in Alberta, show different types of sulfur species, from cysteine -SH groups to sulfate, in the leaves.
 Sulfur XANES was also used to find the origin of a severe conservation problem for wooden marine-archaeological artifacts, first expressed as sulfate salt formation on soft wood for the 17th century Swedish shipwreck Vasa in the Vasa Museum, Stockholm. We could conclude that a large amount of sulfur had accumulated in reduced forms, mostly elemental sulfur, and was being oxidized to sulfuric acid in the moist wood, causing wood deterioration.1

1 M. Sandstroem, F. Jalilehvand, I. Persson, U. Gelius, P. Frank and I. Hall-Roth, Nature 2002, 415, 893-897.

 

 

Title X-ray Detector Development at the Swiss Light Source (SLS) 
Lecturer Prof.Eric.F.Eikenberry
 ( Swiss Light Source, Paul Scherrer Institute )
Date April 15 (Tue), 2003 15:00-17:00
Place

PF Kenkyu Building 2F Conference room

Abstract An important application of synchrotron light is determining the structure of large molecules by x-ray crystallography. The intensity and collimation of 3rd generation sources are steadily improving the quality of x-ray diffraction data, and leading to the solution of ever more difficult structures. However, recording these data optimally places increasingly severe demands on the x- ray detector. Storage phosphors, and more recently CCD detectors, have been widely used for macromolecular crystallography, but their limitations in speed and data quality have become apparent. To address these limitations, a large area all-silicon single-photon counting pixel detector is being developed at the SLS. The detector is of modular design, with the final detector having at least 2k x 2k pixels covering an area of ca. 40 x 40 cm . More than 12 modules have been constructed, each consisting of an 80 x 34 mm monolithic silicon sensor with a 2 x 8 array of custom CMOS readout chips bump-bonded to it. The readout chips have a 44 x 78 array of 217 x 217 m pixels each with a 15-bit counter. Experiments with protein crystals carried out at the SLS demonstrated the suitability of a prototype detector for demanding experiments in which the fine phi-sliced mode of data collection is used. To improve the yield, speed and dynamic range of the detector, the readout chip has been redesigned in a 0.25 m CMOS process. Preliminary tests of this chip show that it works well and should be able to count up to 10 x-rays/s/pixel.

 

 

Title Present status of the Shanghai Synchrotron Radiation Facility
(SSRF)"
Lecturer Prof. Xia Shaojian, SSRF, Shanghai
Date March 24(Mon), 2003 15:00-16:30
Place

4-gokan (Building No.4) 2F Rinkoshitsu 1

Abstract  

 

Title Ultra-fast photo-induced phase transformation in TTF-CA by time-resolved X-ray diffraction
Lecturer Doctress Marie-Helene Lemee-Cailleau
Date Dec.16, 2002 (Mon.) 14:00-16:00
Place

Rinkoshitsu 1 on the 2nd Floor in the Building No.4

Abstract The emergence of ultra-fast X-ray diffraction paves the way for direct structural investigation of the nature of photo-induced phase transformation. Thus, it is now possible to record complete diffraction patterns with appropriate time resolution using the pulse structure of synchrotron sources, giving an outstanding opportunity to directly observe the photo-induced structural changes and symmetry breaking. In that frame, we will present the structural evidence of the photo-induced phase transformation in molecular charge-transfer insulating materials from a neutral paraelectric phase to a metastable ionic one, on the 100 picosecond time-scale. The X-ray diffraction data show that light directly triggers a self-organized ferroelectric long-range order. This observation provides a new way for optically coherent control of phase transition. In addition this gives new directions in the use of ultra-fast time-resolved crystallography, in particular with the development of femto-second X-ray sources which will make possible the study of precursor phenomena, such as coherent phonons and nano-domain formation.

 

Title Some Aspects of the SR Investigations for Industry, Biology and Medicine in the Kurchatov Synchrotron
Lecturer Prof. Vladimir .G. Stankevich
Date Dec.3, 2002 (Tue.) 13:30-
Place

Rinkoshitsu 1 on the 2nd Floor in the Building No.4

Abstract The Kurchatov Synchrotron radiation Center consist of two storage rings with energy 2.5 and 0.45 GeV . The scientific program for 2002-2004 is giving priorities to material science, medicine and technology. The program and  examples of the SR investigation new materials, radiation damage of constructional materials, microscope element analysis of the dehydrated bio-liquids for medical diagnostics, and deep X - ray lithography are presented.

 

Title Present status of the research by Magnetic Scattering Gruop (ID20)
Lecturer Dr. Luigi PAOLASINI ( ESRF, France )
Date Nov.11 (Fri) 14:00-15:00
Place

Conference Room on the 2F in PF Kenkyu Building

Abstract  The beam-line ID20 is optimized for the study of electronic and magnetic properties of solids, in particular magnetic, charge and orbital ordering. The versatility of this beam-line makes it unique in the conception and implementation of new ideas for experiments.
 The very recent developments in coherent magnetic scattering, orbital ordering and magnetic surface experiments by the scientists of this beam-line are just a few examples. A new experimental hutch with a second diffractometer designed to support a 10T super-conducting split-coil cryomagnet will be available for user experiments in 2004.

 

Title Production and application of hard x-ray nanometer beams
Lecturer Dr. Stefanno Lagomarsino
( Istituto di Fotonica e Nanotecnologie − CNR, Roma,Italy )
Date Oct. 21, 2002 (Mon.) 14:00-15:00
Place

Conference Room on the 2F in PF Kenkyu Building

Abstract X-ray wave guides are optical elements for hard x-rays capable to produce x-ray beams below 100 nm with a gain (in one dimension) of the order of 100. The basic principle is a resonance effect which takes place in a three-layer structure under grazing incidence conditions. The outgoing beam is coherent and allows phase contrast microscopy and micro-diffraction with high spatial resolution. In the seminar the basic principle will be illustrated together with few applications. In particular will be presented strain measurements with high spatial resolution in materials for microelectronics and structural characterization of biomaterials.

 

Title Complete spectra in double photoionisation: a new technique and early results
Lecturer Prof. John H.D. Eland
(Physical and theoretical chemistry laboratory, Oxford University)
Date June 25, 2002 (Tue.) 13:30-14:30
Place Conference Room on the 2nd Floor in PF Kenkyu Building
Abstract To get a complete view of the process in which a single photon ejects two valence electrons from an atom or molecule, it is necessary to detect and measure the two photoelectrons from each event in coincidence. This can now be accomplished by a new two-electron time-of-flight technique based on the development of a pulsed vuv lamp and a long magnetic bottle electron energy analyser. The electrons are gathered from essentially the whole solid angle of ejection without any angular or energy discrimination. For a full physical view of the process the angles of electron ejection should also be measured, which is not possible at this stage, but from the point of view of spectra the experiment is complete.

 

Title Arginine kinase structure; Revisiting classical questions in enzymology
Lecturer Professor Mohammad Yousef
(Institute of Molecular Biophysics, Florida State University)
Date April 17, 2002 (Wed.) 13:30-14:30
Place Conference Room on the 2nd Floor in PF Kenkyu Building
Abstract Arginine Kinase (AK) is a member of the guanidino kinase family thatplays an important role in buffering ATP concentration in cells with high and fluctuating energy demands. Thethree-dimensional crystal structure of arginine kinase transition state analog complex has been refined at 1.2A resolution with an overall R-factor of 12.3%. The current model providesa unique opportunity to analyze the structure of a bimolecular (phosphagenkinase) enzyme in its transition state. This atomic resolution structureconfirms in-line transfer of the phosphoryl group and the catalytic importance of the precise alignment of the substrates. The structure of the substrate free "open" form has been solved at 2.35 A and compared to the transition state analogue of the "closed" form. Systematic analysis of the domain movements quantitatively described the structural changes and revealed substrate induced domain motions in AK.

 

Title Photoionization of N2 molecule calculated in the Random Phase Approximation
Lecturer Prof. N.A.Cherepkov
(Foreign visiting scientist of the MEXT.
Department of Physics, State University of Aerospace Instrumentation)
Date April 26, 2002 (Fri.) 15:30-16:30
Place Conference Room on the 2nd Floor in PF Kenkyu Building
Abstract The results of the new most detailed calculations of photoionization of N2 molecule in the Random Phase Approximation will be presented, with the emphasis on the K-shells and the 2s_g shell. The vibrational motion in the initial state is taken into account by averaging over internuclear distances. Correlations between all valence shells are included in the calculations for the 2s_g shell. The results of calculations are compared with the latest experimental data for different partial cross sections, and for the angular distributions of photoelectrons from fixed-in-space molecules obtained by different groups. For the 2s_g shell the comparison with the results of first complete experiment performed at Photon Factory will be presented. Three-dimensional angular distributions of photoelectrons predicted on the basis of this complete experiment will be demonstrated.

 

Workshops


Photon Factory Workshop of Materials Science by X-ray Inelastic Scattering

Date: March 29th (Fri.), 30th (Sat.), 2002

Place: Seminar Hall at 1F in the 4th Building in High Energy Accelerator Research Organization

Contact: Toshiaki Iwazumi (Photon Factory)
TEL: 0298-64-5596 FAX: 0298-64-2801
E-mail: toshiaki.iwazumi@kek.jp

Program

  Spoken in Japanese   Spoken in English

March 29th (Fri)
13:00-13:05 Information
13:05-13:15 Opening Address
Prof. N. Sakai (Himeji Institute of Technology)
Chair: Dr. Y. Sakurai (JASRI/SPring-8)
13:15 -14:00 Prof. N. Shiotani (Tokyo University of Fisheries)
"Compton Scattering and Fermiology"
14:00 -14:30 Prof. Y Kubo (Nihon University)
"Electron Correlation Effects on Compton Profiles in the GW Approximation"
14:30 -14:45 Break
Chair: Prof. A. Koizumi (Himeji Institute of Technology)
14:45 -15:15 Mr. J. Tamura (University of Tokyo)
"High-Resolution Compton Scattering Studies of Quasicrystals"
15:15 -15:45 Dr. M. Suzuki (JASRI/SPring-8)
"128 Array Ge Detector for High-Resolution Compton Scattering Experiments"
15:45 -16:15 Dr. H. Adachi (Photon Factory)
"Magnetic Compton Scattering Studies on the Magnetic Moment of Sm3+"
16:15 -16:30 Break
Chair: Dr. H. Sakurai (Gunma University)
16:30 -17:00 Prof. A. Koizumi (Himeji Institute of Technology)
"Orbital States of Layered Mn Oxide Observed by Magnetic Compton Scattering"
17:00 -17:30 Prof. H. Kawata (Photon Factory)
"Upgrade Status and the Future of the Accumulation Ring"
17:30 -17:50

Dr. A. Deb (JASRI/SPring-8)
"Magnetic Compton Scattering Studies of Sr2FeMoO6"

17:50 -18:10 Mr. S. Mizusaki (Yokohama National University)
"Electronic State Studies of Pd Hydride Observed by Compton Scattering"
18:20 -20:00 Get-Together Party
March 30th (Sat.)
Chair: Prof. H. Kawata (Photon Factory)
09:00 -09:30 Dr. A. Baron (JASRI/SPring-8)
"Recent Results using ~meV Resolution at BL35XU"
09:30 -10:00 Prof. M. Seto (Kyoto University)
"Recent Results of Inelastic Nuclear Resonant X-ray Scattering"
10:00 -10:30 Dr. Y. Q. Cai (SRRC/SPring-8)
"Status of the Taiwan Inelastic X-ray Scattering Beamline at SPring-8"
10:30 -10:45 Break
Chair: Dr. S. Harada (RIKEN/SPring-8)
10:45 -11:15 Dr. H. Hayashi (Tohoku University)
"Plasmon Dispersion Observation by Non-Resonant Inelastic X-ray Scattering"
11:15 -11:45 Prof. S. Ishihara (University of Tokyo)
"Theory of Orbital Wave Observed by Resonant Inelastic X-ray Scattering"
11:45 -12:15 Dr. T. Inami (JAERI/SPring-8)
"Resonant Inelastic X-ray Scattering in Perovskite Mn Oxides"
12:15 -13:30 Lunch
Chair: Prof. S. Ishihara (University of Tokyo)
13:30 -14:00 Prof. A. Kotani (University of Tokyo)
"Theory of Resonant X-ray Emission Spectroscopy"
14:00 -14:30 Dr. S. Harada (RIKEN/SPring-8)
"Zhang-Rice Singlet Excitation Observed by Resonant Soft X-ray Emission"
14:30 -15:00 Prof. Y. Udagawa (Tohoku University)
"K-edge X-ray Resonant Raman Scattering of Cu Compounds"
15:00 -15:15 Break
Chair: Dr. T. Iwazumi (Photon Factory)
15:15 -15:45 Dr. N. Kawamura (JASRI/SPring-8)
"Magnetic Circular Dichroism of FeKßResonant Inelastic X-ray Scattering on Fe3O4"
15:45 -16:15 Dr. Y. Takayama (Tokyo Metro. University)
"Magnetic Circular Dichroism of Resonant X-ray Emission Spectroscopy in VUV-SX region"
16:15 Dr. Y. Sakurai (JASRI/SPring-8)
Discussion and Closing Remarks

Back to PF HOME