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