26 August Poster Session
 
 
 
 
01 Instrumentation and Experimental Techniques
1. Conventional Sources of X-rays

SAXSess – An Analytical Tool for Nanostructured Materials
Authors: H. Schnablegger, O. Glatter, T. Röder
Keywords: characterization of materials, macromolecules, aggregates
Poster Session: 26 Board: 1 Page in the Book of Abstracts: C135
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Illuminating the Role of Brightness in X-ray Diffraction
Authors: L. Seijbel, A. B. Storm
Keywords: intensity measurement, brightness, X-ray optics
Poster Session: 26 Board: 2 Page in the Book of Abstracts: C135
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A Holder for Diffracting Crystals and Mesophases Straight from Crystallization Plates
Authors: A. Mechaly, J. Agirre, A. Cabo, D. M. A. Guérin
Keywords: mesophase, X-ray diffraction, crystallization plates
Poster Session: 26 Board: 3 Page in the Book of Abstracts: C135
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01 Instrumentation and Experimental Techniques
2. Synchrotron Radiation I: Instrumentation and Techniques

Applications of Bragg Backscattering from Crystalline Quartz
Authors: A. O. R. Baron, J. P. Sutter, T. Ishikawa, H. Yamazaki
Keywords: high resolution X-ray diffraction, quartz, inelastic X-ray scattering
Poster Session: 26 Board: 4 Page in the Book of Abstracts: C135
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Development of a Real-time Timing-Shutter Delay Monitor
Authors: R. Alkire, M. Molitsky, F. Rotella, N. Duke
Keywords: synchrotron radiation, instrumentation, timing shutter
Poster Session: 26 Board: 5 Page in the Book of Abstracts: C135
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An X-ray Chopper for Time-resolved Crystallography
Authors: S. L. G. Husheer, K. Bowes, J. Cole, T. Rayment, S. Teat, J. Warren, G. Bushnell-Wye, P. Raithby
Keywords: time resolved, pump probe, synchrotron radiation
Poster Session: 26 Board: 6 Page in the Book of Abstracts: C136
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Modeling the IRF of Synchrotron Powder Diffractometers with Focusing Optics
Authors: F. Gozzo, L. De Caro, C. Giannini, A. Guagliardi, B. Schmitt
Keywords: high resolution X-ray powder diffraction, synchrotron X-ray instrumentation, modelling
Poster Session: 26 Board: 7 Page in the Book of Abstracts: C136
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Microcrystal X-ray Analyses Using LTV Camera at SPring-8 BL02B1 Beamline
Authors: N. Yasuda, Y. Ozawa, K. Toriumi, S. Kuwahara, K. Obata, K. Yoshida, T. Matsumoto, N. Harada
Keywords: single crystal, small crystals, synchrotron X-ray diffraction
Poster Session: 26 Board: 8 Page in the Book of Abstracts: C136
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The Phase 1 Macromolecular Crystallography Beamlines on Diamond
Authors: E. Duke, G. Evans, R. Flaig, A. Grant, K. Mc Auley, T. Sorensen
Keywords: macromolecular synchrotron X-ray crystallography, synchrotron radiation, automation
Poster Session: 26 Board: 9 Page in the Book of Abstracts: C136
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Movement of Single-Crystal Protein Samples at Synchrotron Beamlines
Authors: F. J. Rotella, R. W. Alkire, N. E. C. Duke
Keywords: cryocooled crystallography, protein crystallography, synchrotron radiation
Poster Session: 26 Board: 10 Page in the Book of Abstracts: C137
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Harmonics-free Channel-cut X-ray Crystal Monochromator with Focussing Effect
Authors: J. Hrdá, J. Hrdý
Keywords: X-ray monochromators, X-ray optics, dynamical X-ray diffraction theory
Poster Session: 26 Board: 11 Page in the Book of Abstracts: C137
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Aberrations of Bragg-case Diffractive-refractive Optics (Sagittal Focusing)
Authors: J. Hrdy, A. Kubena, P. Mikulík
Keywords: X-ray optics, X-ray focusing, X-ray and synchrotron radiation instrumentation
Poster Session: 26 Board: 12 Page in the Book of Abstracts: C137
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SER-CAT: The Advanced Photon Source’s Latest Protein Crystallography Facility
Authors: B.-C. Wang, J. Chrzas, G. Rosenbaum, J. Fait, J. Gonczy, S. Foundling, Z. Jin, K. Morris, L. Horanyi, M. Graham, J. P. Rose
Keywords: SER CAT, synchrotron, remote user participation
Poster Session: 26 Board: 13 Page in the Book of Abstracts: C137
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PETRA III: a Low Emittance High Energy Synchrotron Radiation Source
Authors: E. Weckert, K. Balewski, W. Brefled, H. Franz, R. Roelsberger
Keywords: synchrotron radiation, X-ray techniques, X-ray diffraction
Poster Session: 26 Board: 14 Page in the Book of Abstracts: C137
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Time-resolved and Charge-density Studies at ChemMatCARS
Authors: T. J. Graber, T. Graber, Y. Chen, P. Coppens, J. Gebhardt, M. Gembicky, B. B. Iversen, R. D. Poulsen, P. J. Viccaro, I. Vorontosv, F. Westferro
Keywords: time resolved, charge density, synchrotron
Poster Session: 26 Board: 15 Page in the Book of Abstracts: C138
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A Comprehensive Environment for Doing Macromolecular Crystallography at SSRL
Authors: T. Eriksson
Keywords: remote access crystallography, synchrotron beamline, experiment control
Poster Session: 26 Board: 16 Page in the Book of Abstracts: C138
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Development of Protein Crystallography Beamlines at the Photon Factory for Automated Experiment
Authors: N. Matsugaki, N. Igarashi, Y. Yamada, M. Hiraki, Y. Gaponov, M. Suzuki, S. W
Keywords: protein crystallography with synchrotron radiation, automated data collection, remote control
Poster Session: 26 Board: 17 Page in the Book of Abstracts: C138
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New Optical Design and Performance of the NSLS X21 X-Ray Wiggler Beamline
Authors: L. E. Berman, W. A. Caliebe, P. A. Montanez, L. Yang, C. S. Nelson, A. Lenhard, F. A. Staicu, C. Stelmach, S. C. La Marra, S. Pjerov, S. L. Hulbert
Keywords: synchrotron radiation optics, synchrotron X-ray diffraction, synchrotron X-ray instrumentation
Poster Session: 26 Board: 18 Page in the Book of Abstracts: C138
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Microcrystallography at ChemMatCARS at the Advanced Photon Source
Authors: V. Young, P. J. Viccaro, T. Graber, M. Pink, J. Gebhardt, Y.-S. Chen
Keywords: microcrystallography, microdiffraction, synchrotron radiation
Poster Session: 26 Board: 19 Page in the Book of Abstracts: C139
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GM/CA Canted Undulator Beamlines for Protein Crystallography
Authors: R. Fischetti, S. Stepanov, S. Xu, O. Makarov, A. Urakhchin, R. Sanishvili, W. W. Smith, D. Yoder, R. Benn, S. Corcoran, S. Devarapalli, W. Diete, M. Schwoerer-Boehing, R. Signorato, L. E. Berman, J. L. Smith
Keywords: crystallography instrumentation, synchrotron radiation instrumentation, instrumentation and software
Poster Session: 26 Board: 20 Page in the Book of Abstracts: C139
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Instrumentation for X-ray Scanning-Diffraction with Sub-micron Resolution
Authors: M. Burghammer, C. Riekel
Keywords: microbeam, diffraction, microcrystallography
Poster Session: 26 Board: 21 Page in the Book of Abstracts: C139
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I16: a Magnetic and Material Diffraction Beamline on Diamond
Authors: A. Bombardi, S. Collins
Keywords: synchrotron X-ray diffraction, synchrotron instrumentation, magnetic X-ray scattering
Poster Session: 26 Board: 22 Page in the Book of Abstracts: C139
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01 Instrumentation and Experimental Techniques
3. Synchrotron Radiation II: Applications

Structural Characterization of a Small Heat-shock Protein from Xylella fastidiosa
Authors: S. F. S. Tada, F. Javier Medrano, B. Gomes Guimarães, C. L. Pintode Oliveira, I. Torriani, A. Pereirade Souza
Keywords: protein structure, bacterial pathogenesis, chaperonins
Poster Session: 26 Board: 23 Page in the Book of Abstracts: C139
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Phase Determination Using a Wide-band Parallel Synchrotron Radiation Beam
Authors: T. Koganezawa, T. Udagawa, Y. Yoshimura, N. Nakamura, H. Iwasaki
Keywords: synchrotron radiation, anomalous dispersion, wide band beam
Poster Session: 26 Board: 24 Page in the Book of Abstracts: C140
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Simultaneous XRPD-MS Study on Iron Oxides Supported on Spinel-like Aluminate.
Authors: D. Ghisletti, U. Cornaro, C. Contardi, D. Sanfilippo, M. Gemmi, M. Merlini, G. Artioli
Keywords: radiation, in situ time resolved powder diffraction, iron oxides
Poster Session: 26 Board: 25 Page in the Book of Abstracts: C140
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Automation of MX Data Collection and Processing
Authors: O. Svensson, K. Ackroyd, A. Ashton, G. Bourenkov, S. Kinder, A. Leslie, S. Mc Sweeney, C. Nave, A. Popov, H. Powell, D. Spruce, G. Winter
Keywords: automation, automated data collection, data processing
Poster Session: 26 Board: 26 Page in the Book of Abstracts: C140
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Still Bad Crystals, but Good Data and Results from Synchrotron Facilities
Authors: W. Clegg, R. W Harrington
Keywords: synchrotron X-ray diffraction, structural determination, service crystallography
Poster Session: 26 Board: 27 Page in the Book of Abstracts: C140
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Recent Developments and Diffuse Scattering Studies at Beamline F1 (Hasylab/DESY)
Authors: C. Paulmann, U. Bismayer
Keywords: CCD detector, synchrotron X-ray diffraction, diffuse scattering
Poster Session: 26 Board: 28 Page in the Book of Abstracts: C140
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Efficiency of Light Atoms on the Low Energy SAD Phasing
Authors: Y. Yamada, T. Satoh, K. Ihara, N. Igarashi, N. Matsugaki, N. Watanabe, M. Suzuki, S. Wakatsuki
Keywords: synchrotron radiation crystallography, low energy SAD phasing, macromolecular crystallography
Poster Session: 26 Board: 29 Page in the Book of Abstracts: C141
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01 Instrumentation and Experimental Techniques
4. New X-ray Sources

Testing the Compact Light Source: a Miniature Synchrotron for the Home Lab
Authors: R. Ruth, J. Rifkin, R. Loewen
Keywords: synchrotron, X-ray source, protein structure
Poster Session: 26 Board: 30 Page in the Book of Abstracts: C141
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On Forced Reflection and Transmission of Speech, Using X-Rays
Authors: M. Navasardyan
Keywords: X-ray techniques, X-ray diffraction, charge density
Poster Session: 26 Board: 31 Page in the Book of Abstracts: C141
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High Brilliance X-ray Laboratory System for Microdiffraction Studies
Authors: O. Mikhin, V. Ozerov, A. Priladyshev
Keywords: protein crystallography, X-ray source, microdiffraction
Poster Session: 26 Board: 32 Page in the Book of Abstracts: C141
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BL-17: New Structural Biology Beam Line at the Photon Factory
Authors: N. Igarashi, A. Koyama, N. Matsugaki, Y. Yamada, Y. Wakabayashi, K. Hirano, T. Iwazumi, H. Kawata, N. Watanabe, S. Wakatsuki
Keywords: macromolecular synchrotron X-ray crystallography, diffraction synchrotron radiation microcrystals, low energy SAD phasing
Poster Session: 26 Board: 33 Page in the Book of Abstracts: C142
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01 Instrumentation and Experimental Techniques
7. X-ray Imaging

X-ray Back-diffraction Wavefields Self-imaged with a CCD Detector
Authors: M. Goncalves Hönnicke, C. Cusatis
Keywords: X-ray imaging, X-ray backscatter diffraction, instrumentation
Poster Session: 26 Board: 34 Page in the Book of Abstracts: C142
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01 Instrumentation and Experimental Techniques
13. Fast (pico-second) Crystallography

Picosecond Lattice Dynamics Probed by Time- and Angle-resolved X-ray Diffraction
Authors: Y. Tanaka, Y. Hayashi, T. Ishikawa
Keywords: time resolved, synchrotron X-ray diffraction, lattice dynamics
Poster Session: 26 Board: 201 Page in the Book of Abstracts: C148
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02 Methods for Structure Determination
2. Direct Methods of Phase Determination

Sir2004: New Features for ab-initio Crystal Structure Solution
Authors: B. Carrozzini, M. C. Burla, R. Caliandro, M. Camalli, G. L. Cascarano, L. De Caro, C. Giacovazzo, G. Polidori, R. Spagna
Keywords: software, ab-initio structure determination, macromolecular crystallography
Poster Session: 26 Board: 35 Page in the Book of Abstracts: C151
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High Throughput Technique in Structural Bioinformatics
Authors: S. Selvanayagam, D. Velmurugan, T. Yamane
Keywords: ab initio structure determination, macromolecular crystallography, SAS
Poster Session: 26 Board: 36 Page in the Book of Abstracts: C151
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SAD Phasing at the Presence of Pseudo-translational Symmetry
Authors: Y. He, Z. Lin, Y. Gu, H. Fan
Keywords: SAD, pseudosymmetry, protein
Poster Session: 26 Board: 37 Page in the Book of Abstracts: C151
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Automated Web- and Grid-Based Protein Phasing with BnP
Authors: C. Weeks, N. Shah, M. Green, R. Miller, W. Furey
Keywords: shake and bake, parallel computing, automation
Poster Session: 26 Board: 38 Page in the Book of Abstracts: C152
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A Deterministic Algorithm for Phasing Using Triplet and Quartet Invariants
Authors: A. B. Smith, N. Sahinidis
Keywords: direct methods, low resolution phasing, optimization
Poster Session: 26 Board: 39 Page in the Book of Abstracts: C152
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Neutron Structure Determination via Macromolecular H/D Derivatives
Authors: D. A. Langs, H. A. Hauptman, H. Xu
Keywords: neutron diffraction, direct methods, macromolecular phase determination
Poster Session: 26 Board: 40 Page in the Book of Abstracts: C152
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A Modified ACORN to Solve Protein Structures at Resolutions of 1.7 A or Better
Authors: J. Yao, M. M. Woolfson, K. S. Wilson, E. J. Dodson
Keywords: data extension, density modification, Sayre equation refinement
Poster Session: 26 Board: 41 Page in the Book of Abstracts: C152
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02 Methods for Structure Determination
12. Ab initio Powder Diffraction Solutions: Inorganic Compounds

Structures in Mo-Ru-Si System by Powder and Anomal X-Ray Diffraction
Authors: M. François, M. Vilasi, E. Elkaim, F. Zamoum
Keywords: high melting system, ab initio powder structure determination, anomalous diffraction
Poster Session: 26 Board: 4 Page in the Book of Abstracts: C158
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02 Methods for Structure Determination
13. Ab initio Powder Diffraction Solutions: Electron Diffraction

New Tetragonal Phase in Al-Fe-U System
Authors: L. Meshi, L. Burlaka, M. Talianker
Keywords: structural determination, intermetallic, TEM
Poster Session: 26 Board: 42 Page in the Book of Abstracts: C159
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02 Methods for Structure Determination
15. X-ray and Neutron Complementarity

Magnetic Structure of BaFe12O19 Determined by Resonant X-ray Magnetic Scattering
Authors: S. Sasaki, T. Aki, S. Sakurai, N. Shimizu, K. Ohkubo, K. Yamawaki, T. Hanashima, T. Toyoda, T. Mori
Keywords: magnetic structure, resonant scattering, ferrites
Poster Session: 26 Board: 43 Page in the Book of Abstracts: C159
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Neutron Diffraction Analysis of Photoisomerization of δ-Cyanobutyl Cobaloxime
Authors: T. Hosoya, H. Uekusa, Y. Ohashi, T. Ohhara, R. Kuroki
Keywords: neutron diffraction, hydrogen transfer, crystalline state reactions
Poster Session: 26 Board: 44 Page in the Book of Abstracts: C159
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04 Crystallography of Biological Macromolecules
1. Peptide and Protein Crystallisation

Three-dimensional Structure of Human FKBP52
Authors: B. Wu, P. Li, Y. Liu, Z. Lou, Y. Ding, C. Shu, S. Ye, B. Shen, Z. Rao
Keywords: FKBP52, PPIase, hormone receptor complex
Poster Session: 26 Board: 45 Page in the Book of Abstracts: C171
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Structural Investigations of GFP-like Proteins
Authors: P. Wilmann, J. Petersen, T. Beddoe, R. J. Devenish, M. Prescott, J. Rossjohn
Keywords: GFP, protein crystallography, chromophore structure
Poster Session: 26 Board: 46 Page in the Book of Abstracts: C171
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Crystal Structure of Heme Bindig Enolase P46 from Bacteroides fragillis
Authors: A. Izumi, B. R. Otto, F. Kawai, J. Heddle, S.-Y. Park, J. R. H. Tame
Keywords: enolase, heme binding protein, bacteroides
Poster Session: 26 Board: 47 Page in the Book of Abstracts: C171
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Structural Studies of the Disulfide Oxidoreductases DsbA from Xylella fastidiosa
Authors: F. Rinaldi, F. L. L. Gonçalves, B. G. Guimarães
Keywords: Xylella fastidiosa, disulfide oxidoreductase, X-ray diffraction
Poster Session: 26 Board: 48 Page in the Book of Abstracts: C171
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Structure of MntC from Cyanobacteria
Authors: M. Frank, V. Ruckman, N. Adir
Keywords: ABC transporter system, photosynthesis, redox
Poster Session: 26 Board: 49 Page in the Book of Abstracts: C171
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3D Structure Determination of the Cpn60-2 protein from Mycobacterium Tuberculosis
Authors: A. Shahar, E. Dobrovetsky, M. Melamed-Frank, Y. Kashi, N. Adir
Keywords: protein crystallography chaperones, stress, bacteria
Poster Session: 26 Board: 50 Page in the Book of Abstracts: C172
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Crystal Structure of OXA-24, a Novel Class Beta-lactamase with Carbapemenase Activity
Authors: E. Santillana, G. Bou, A. Romero
Keywords: β lactamase, antibiotic resistance, protein crystallography
Poster Session: 26 Board: 51 Page in the Book of Abstracts: C172
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Crystallographic Studies of Human Methionine Adenosyltransferase (MAT)
Authors: C. Rush, M. Kotb, S. White
Keywords: methionine adenosyltransferase, S adenosylmethionine, L methionine
Poster Session: 26 Board: 52 Page in the Book of Abstracts: C172
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Optimization of Crystallization of the Flavoprotein WrbA by Using Additives
Authors: J. Wolfova, J. Carey, I. K. Smatanova
Keywords: flavoprotein, macromolecular crystallization, optimization
Poster Session: 26 Board: 53 Page in the Book of Abstracts: C172
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Improving the Growth of Biomacromolecular Crystals for Neutrons and X-rays
Authors: M. Spano-Budayova, F. Dauvergne
Keywords: phase diagram, crystal growth, solubility
Poster Session: 26 Board: 54 Page in the Book of Abstracts: C173
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Crystallization of the TOM Complex from Neurospora crassa together with Monoclonal Antibodies
Authors: P. Schreiner, S. Schmitt, M. Groll
Keywords: crystallization, membranes, antibodies
Poster Session: 26 Board: 55 Page in the Book of Abstracts: C173
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Crystallisation and Functional Analysis of Procarytic and Eukaryotic Rhomboid Proteases and Hsp70 Chaperones
Authors: C. Koerner, M. Sichting, M. Groll
Keywords: proteases, rhomboid proteases, Hsp70 chaperones
Poster Session: 26 Board: 56 Page in the Book of Abstracts: C173
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Preliminar Diffraction Study of the Full-lengh Protein Hexokinase 2 of Saccharomyces cerevisiae
Authors: L. Roces, P. Herrero, F. Moreno, S. García-Granda
Keywords: crystallization, protein folding, regulation
Poster Session: 26 Board: 57 Page in the Book of Abstracts: C174
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A New Crystal Form of the SR Ca2+-ATPase in the Ca2E1 State
Authors: A.-M. Lund Jensen, T. Lykke-Møller Sørensen, J. V. Møller, P. Nissen
Keywords: Ca2+ ATPase, crystallization macromolecular, reaction mechanism
Poster Session: 26 Board: 59 Page in the Book of Abstracts: C174
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Phase Behavior and Protein Interactions
Authors: N. Asherie
Keywords: phase diagram, liquid liquid phase separation, crystal solubility
Poster Session: 26 Board: 60 Page in the Book of Abstracts: C174
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Crystallization Study of Photosynthetic Proteins from Pisum sativum
Authors: I. Kuta Smatanova, J. A. Gavira, P. Rezacova, F. Vacha, J. M. Garcia-Ruiz
Keywords: membrane protein, photosystem II, macromolecular crystallization
Poster Session: 26 Board: 61 Page in the Book of Abstracts: C174
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The Crystal Structures of the Pseudouridine Synthases RluC and RluD
Authors: K. Mizutani, Y. Machida, K. Sugiyama, S. Unzaia, S.-Y. Park, J. R. H. Tame
Keywords: RNA binding proteins, structure, protein crystallography
Poster Session: 26 Board: 62 Page in the Book of Abstracts: C174
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Crystal Structure of PilF from Pseudomonas aeruginosa
Authors: K. Kyunggon, J. Oh, Y. Kim
Keywords: PilF, TPR domain, crystal structure
Poster Session: 26 Board: 63 Page in the Book of Abstracts: C175
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Crystallization and Data Collection of Xanthomonas citri Maltose-Binding Protein
Authors: A. Balan, C. S. Souza, L. C. S. Ferreira, B. G. Guimaraes, J. F. Medrano, J. A. Barbosa
Keywords: MBP, Xanthomonas citri, crystallization
Poster Session: 26 Board: 64 Page in the Book of Abstracts: C175
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Crystal Structure of Ubiquitin-like Domain of Murine Parkin
Authors: K. Tomoo, Y. Mukai, S. Okubo, H. Shindo, T. Ishida
Keywords: ubiquitin system, crystallization, structure analysis
Poster Session: 26 Board: 65 Page in the Book of Abstracts: C175
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SERCA1a and Phospholamban Cocrystallisation
Authors: L. Fonso, E. dalla Libera, E. Damiani, R. Battistutta, G. Zanotti, O. Marin, E. Carafoli
Keywords: SERCA1a, phospholamban, cocrystallization
Poster Session: 26 Board: 66 Page in the Book of Abstracts: C175
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Structural Studies on Collagen Binding Integrin I domains
Authors: A.-M. Brandt, J. S. Puranen, Y. Nymalm, T. Salminen, M. S. Johnson
Keywords: integrins, I domain, collagen binding
Poster Session: 26 Board: 67 Page in the Book of Abstracts: C175
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The Structure of the ParC Subunit of Topoisomerase IV from Streptococcus Pneumoniae
Authors: I. Laponogov, D. Veselkov, M. Sohi, X.-S. Pan, M. Fisher, M. Sanderson
Keywords: topoisomerase IV, ParC, twinning
Poster Session: 26 Board: 68 Page in the Book of Abstracts: C176
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A Proposal to Engineer Protein Crystallization through Metal Ions
Authors: X. Qiu, C. Janson
Keywords: crystallization, crystal packing, anomalous signals
Poster Session: 26 Board: 69 Page in the Book of Abstracts: C176
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The Crystal Structure of Human CDK7 and its Protein Recognition Properties
Authors: G. Lolli, E. Lowe, N. Brown, L. Johnson
Keywords: cyclin dependent kinase, cell cycle, structure
Poster Session: 26 Board: 70 Page in the Book of Abstracts: C176
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Novel Vapour Diffusion Method
Authors: K. Hoffmann
Keywords: protein and nucleic acid crystallography, statistical analysis, light scattering
Poster Session: 26 Board: 71 Page in the Book of Abstracts: C176
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The Cystal Structure of Mannosylglycerate Synthase from Rhodothermus marinus at 2.5 Å Resolution.
Authors: S. G. Goncalves, P. Lamosa, H. Santos, P. Matias
Keywords: mannosylglycerate synthase, multiwavelength anomalous X-ray dispersion, selenomethionine derivatives
Poster Session: 26 Board: 72 Page in the Book of Abstracts: C177
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Local Conformational Similarity between Native and Denatured States
Authors: A. Armstrong, L. Mario Amzel
Keywords: conformational studies, denatured state, calorimetry
Poster Session: 26 Board: 73 Page in the Book of Abstracts: C177
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Ubiquitin Binding Mechanism of Hrs-UIM
Authors: S. Hirano, M. Kawasaki, H. Ura, R. Kato, H. Stenmark, S. Wakatsuki
Keywords: transport, ubiquitin system, X-ray crystallography of proteins
Poster Session: 26 Board: 74 Page in the Book of Abstracts: C177
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Crystal Structures of the Carbohydrate Recognition Domain of Emp46p and Emp47p
Authors: T. Satoh, K. Sato, A. Kanoh, K. Yamashita, R. Kato, A. Nakano, S. Wakatsuki
Keywords: lectin, protein crystallography, protein transport
Poster Session: 26 Board: 75 Page in the Book of Abstracts: C177
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Molecular Mechanism of Ubiquitin Recognition by GGA3 GAT Domain
Authors: M. Kawasaki, T. Shiba, Y. Shiba, Y. Yamaguchi, N. Matsugaki, N. Igarashi, M. Suzuki, R. Kato, K. Kato, K. Nakayama, S. Wakatsuki
Keywords: ubiquitin system, membrane trafficking, complex structure
Poster Session: 26 Board: 76 Page in the Book of Abstracts: C178
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Expression and Crystallization of Toxoflavin lyase(TflA) & TRP
Authors: S. Rhee, W.-S. Jung, D. Jung, S. Rhee
Keywords: TflA, TRP, enzyme mechanism
Poster Session: 26 Board: 77 Page in the Book of Abstracts: C178
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Protein Crystal Quality Studies Using High Resolution X-ray Diffraction
Authors: A. Meents, B. Reime, H. Schulz-Ritter, D. Elefant, R. Harf, E. Weckert
Keywords: protein crystallization, high resolution X-ray diffraction, magnetic field
Poster Session: 26 Board: 78 Page in the Book of Abstracts: C178
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High-throughput Protein Crystallization at the Center for Eukaryotic Structural Genomics
Authors: G. Phillips, C. A. Bingman, S. T. M. Allard, E. Bitto, B. W. Han, J. G. Mc Coy, J. T. Warrick, G. E. Wesenberg
Keywords: crystallization, structural genomics, protein crystallography
Poster Session: 26 Board: 79 Page in the Book of Abstracts: C178
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The Xtaldb System for Project Salvaging in High-throughput Crystallization
Authors: M. Zimmerman, M. Chruszcz, K. Koclega, Z. Otwinowski, W. Minor
Keywords: crystallization of proteins, bioinformatics, structural genomics
Poster Session: 26 Board: 80 Page in the Book of Abstracts: C178
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GIXD Investigation of GlnB of H. Seropedicae Adsorbed on Silicon.
Authors: A. Lubambo, E. Machado Benelli, I. Mazzaro, F. Yokaichyia, C. Giles, P. C. de Camargo
Keywords: protein assembly, adsorption, grazing incidence diffraction
Poster Session: 26 Board: 81 Page in the Book of Abstracts: C179
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Using Multilayer Soft Lithography Formulator Chips to Map Precipitations Diagrams of Proteins
Authors: J.-C. N. Poulsen, M. Sommer, S. Larsen
Keywords: microfluidics, crystallization, phase diagram
Poster Session: 26 Board: 82 Page in the Book of Abstracts: C179
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Metal Cations Effect on Membrane Crystallized Lysozyme
Authors: S. Simone, E. Curcio, G. Di Profio, E. Drioli, M. Ferraroni, A. Scozzafava
Keywords: crystal growth apparatus design, bioinorganic compounds, protein crystallization
Poster Session: 26 Board: 83 Page in the Book of Abstracts: C179
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Mexicain, from the Crystal to the Structure: a Sixty Years Journey
Authors: L. A. González-Ramírez, C. Oliver-Salvador, J. A. Gavira, M. Soriano-García, J. M. García-Ruiz
Keywords: proteases, crystallization, X-ray structure
Poster Session: 26 Board: 84 Page in the Book of Abstracts: C179
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Do the Strong Magnetic Fields Modify the 3D Structure of Proteins?
Authors: A. Moreno, J. P. Reyes-Grajeda, A. Rodríguez-Romero, B. L. C., S. Richard
Keywords: biological macromolecules, crystal growth from solution, crystal perfection
Poster Session: 26 Board: 85 Page in the Book of Abstracts: C180
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04 Crystallography of Biological Macromolecules
3. Metallo-Enzymes

Structure of Thi1: Thiamin Biosynthesis in Arabdopsis thaliana
Authors: G. Oliva, P. H. C. Godoi, M. A. Van-Sluys, C. F. M. Menck
Keywords: thiamin biosynthesis, SAD, protein structure
Poster Session: 26 Board: 86 Page in the Book of Abstracts: C210
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04 Crystallography of Biological Macromolecules
11. Proteins of the Immune System

The Crystal Structures of HcpB and –C: Two Proteins with Sel1-like Repeat Architectures Involved in the Modulation of Innate Immune Response.
Authors: P. Mittl, L. Lüthy, W. Schneider-Brachert, M. G. Grütter
Keywords: innate immune response, structural genomics, protein protein interactions
Poster Session: 26 Board: 87 Page in the Book of Abstracts: C229
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Structural Basis for Blue and Purple Fluorescence of Antibody-stilbene Complexes
Authors: E. Debler, G. F. Kaufmann, A. Di Bilio, H. B. Gray, R. A. Lerner, K. D. Janda, I. A. Wilson
Keywords: antibody structure, photophysics, protein dynamics
Poster Session: 26 Board: 88 Page in the Book of Abstracts: C229
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Engineering Immune System Glycoproteins to Form Uniform Crystalline Lattices
Authors: P. A. Ramsland, T. M. Bradford, W. Farrugia, P. M. Hogarth
Keywords: immune system proteins, cell surface receptor, crystal engineering
Poster Session: 26 Board: 89 Page in the Book of Abstracts: C230
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Crystal Structure of Leukocyte Ig-like Receptor 9 (LIR9/ILT11 /CD85f)
Authors: M. Shiroishi, K. Kuroki, T. Ose, D. Kohda, K. Maenaka
Keywords: immune regulation, immunoglobulin like receptor, structural immunology
Poster Session: 26 Board: 90 Page in the Book of Abstracts: C230
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The Crystal Structure of Human CD1d with and without α-Galactosylceramide Bound
Authors: M. Koch, V. S. Stronge, V. Cerundulo, E. Y. Jones
Keywords: human CD1d, empty MHC class I-like protein, α-Galactosylceramide
Poster Session: 26 Board: 91 Page in the Book of Abstracts: C230
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Structure, Function and Evolution of the Serum Pentraxins
Authors: T. J. Greenhough, I. Burns, J. Paterson, P. Armstrong, A. Shrive
Keywords: pentraxin, innate immunity, evolution
Poster Session: 26 Board: 92 Page in the Book of Abstracts: C230
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Structural Studies of Human CD81 Extracellular Domain
Authors: K. Kitadokoro, M. Ponassi, G. Galli, R. Petracca, F. Falugi, G. Grandi, M. Bolognesi
Keywords: cell surface receptor, structural analysis, virus receptors
Poster Session: 26 Board: 93 Page in the Book of Abstracts: C230
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04 Crystallography of Biological Macromolecules
16. Multi-domain Proteins

Identical Sets of Residues Produce Two Strikingly Different Dimers in NF-κB Family of Proteins
Authors: D. Huang, D. Vu, G. Ghosh
Keywords: transcription factor structures, NF-kB proteins, residues
Poster Session: 26 Board: 94 Page in the Book of Abstracts: C249
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04 Crystallography of Biological Macromolecules
17. Structural Motifs

Structural Basis for Cell-specific Activity of NGFI-B/Nurr1 Ligand-binding Domains
Authors: R. Flaig, H. Greschik, C. Peluso-Iltis, D. Moras
Keywords: ligand-binding domain, transcription, NGFI-B
Poster Session: 26 Board: 95 Page in the Book of Abstracts: C251
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Structure of a Cell Polarity Regulator, an aPKC and Par6 PB1 Domain Complex
Authors: Y. Hirano, S. Yoshinaga, R. Takeya, N. N. Suzuki, M. Horiuchi, M. Kohjima, H. Sumimoto, F. Inagaki
Keywords: protein complex structure, domain structure, cell polarity
Poster Session: 26 Board: 96 Page in the Book of Abstracts: C251
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The Allergenic Non-specific Lipid Transfer Protein from Peach:Structural Studies
Authors: N. Pasquato, C. Folli, S. Folloni, M. Cianci, R. Berni, J. R. Helliwell, G. Zanotti
Keywords: ns-LTP, non specific lipid transfer protein, food allergen
Poster Session: 26 Board: 97 Page in the Book of Abstracts: C252
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LRRs: A Platform to Build a Protein Recognition Motif
Authors: T. Garrett, T. Huyton
Keywords: receptor-ligand interactions, molecular recognition, protein engineering
Poster Session: 26 Board: 98 Page in the Book of Abstracts: C252
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04 Crystallography of Biological Macromolecules
24. Water and Other Solvent Structures In Macromolecules

Comparative Study of Thrombin Binding of Potassium vs. Sodium
Authors: C. Carrell, A. O. Pineda, E. di Cera, F. S. Mathews
Keywords: proteases, metal binding, packing
Poster Session: 26 Board: 99 Page in the Book of Abstracts: C261
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08 Structure/Property Relationship
10. Polymorphism and Isomorphism: Identification and Characterisation

The Many Crystal Forms of [M(15-crown-5)(H2O)2](NO3)2
Authors: C. P. Brock, X. Hao, M. A. Siegler, S. Parkin
Keywords: polymorphs, crystal packing, phase transition
Poster Session: 26 Board: 100 Page in the Book of Abstracts: C336
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08 Structure/Property Relationship
15. No sub theme

Approximate Reduced Density Matrix for Bioactive Systems: An Ab-initio Approach
Authors: B. Courcot, J.-M. Gillet, N. E. Ghermani, P. Becker
Keywords: ab-initio calculations, density matrices, environment
Poster Session: 26 Board: 101 Page in the Book of Abstracts: C351
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Hydroxyapatite-bisphosphonate Nanocrystals
Authors: E. Boanini, M. Gazzano, K. Rubini, A. Bigi
Keywords: bone, calcium phosphate, biomaterials design
Poster Session: 26 Board: 102 Page in the Book of Abstracts: C351
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The Ternary Fluoride Lithium at Low Temperature
Authors: M. Hamadène, A. Gueria-Laïdoudi, S. Dahaoui, C. Lecomte
Keywords: low temperature structure, superlattice, disorder
Poster Session: 26 Board: 103 Page in the Book of Abstracts: C352
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14 Charge, Spin and Momentum Density
7. Molecular and Crystal Properties From Charge Densities

Experimental Electron Density of [Cu(phen)2Cl](NO3)(H2O)
Authors: B. Rodrigues, J. Ellena, E. Castellano
Keywords: copper complex, crystal field theory, multipole refinement
Poster Session: 26 Board: 104 Page in the Book of Abstracts: C425
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Phase Transition and Charge Density Study of the m-Carboxyphenyl Ammonium Phosphite
Authors: E. Bendeif, S. Dahaoui, C. Lecomte, M. François, N. Benali-Cherif
Keywords: hybrid materials, phase transition, charge density
Poster Session: 26 Board: 105 Page in the Book of Abstracts: C425
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Experimental Charge Density Study of Salicylaldehyde Thiosemicarbazone
Authors: S. Novakovic, G. Bogdanovic, V. Leovac, B. Fraisse, N. E. Ghermani, A. Spasojevic de Biré
Keywords: electron density, electrostatic properties, structure activity relationship
Poster Session: 26 Board: 106 Page in the Book of Abstracts: C425
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Interactions in Selected Dicarboxylic Acids Derived from Electron Charge Density
Authors: M. Pitak, K. Stadnicka
Keywords: charge density, dicarboxylic acid, interactions
Poster Session: 26 Board: 107 Page in the Book of Abstracts: C426
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Experimental electron density distribution of Bis(thiosemicarbazide)-Zinc(II) Dinitrate
Authors: G. Bogdanovic, S. Novakovic, A. Spasojevic-de Biré, B. Fraisse, N. E. Ghermani
Keywords: electron density, electrostatic properties, structure activity relationship
Poster Session: 26 Board: 108 Page in the Book of Abstracts: C426
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Electron Density, the Dirving Tool Towards Dynamics and Reactivity of Systems?
Authors: P. J. Becker, V. Reillon, B. Courcot, J. M. Gillet
Keywords: electron density, dynamics of molecules, reactivity
Poster Session: 26 Board: 109 Page in the Book of Abstracts: C426
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Estimating ADP’s of Hydrogen Nuclei for Charge Density Analysis
Authors: A. E. Whitten, M. A. Spackman
Keywords: charge density, vibrational analysis, ab initio calculations
Poster Session: 26 Board: 110 Page in the Book of Abstracts: C426
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Bonding in 5-Membered Cyclic Alkynes: Charge Density in 1-Zirconacyclopent-3-yne
Authors: D. Hashizume, N. Suzuki, T. Chihara
Keywords: charge density, chemical bonding, zirconium compounds
Poster Session: 26 Board: 111 Page in the Book of Abstracts: C426
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Different Approaches to Absorption Corrections for Charge Density Analyses
Authors: J. Kozisek, M. Breza, H. Fuess, R. H. Blessing
Keywords: charge density, copper compounds, properties
Poster Session: 26 Board: 112 Page in the Book of Abstracts: C427
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Chemical Bonding based on Charge Density Calculations for Solids
Authors: K. Schwarz, P. Blaha
Keywords: DFT, charge density distribution, chemical bonding
Poster Session: 26 Board: 113 Page in the Book of Abstracts: C427
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Electron-density Properties of the Functionally-Substituted Hydropyrimidines
Authors: V. Tsirelson, A. Stash, E. Zhurova, V. Zhurov, A. A. Pinkerton, V. Zavodnik, A. Shutalev, G. Gurskaya, A. Rykounov, V. Potemkin
Keywords: electron density, accurate measurements, ab initio calculations
Poster Session: 26 Board: 114 Page in the Book of Abstracts: C427
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Electron Density Study of 2,5-Dimethyl-3,4-trimethylene-6a-thiathiophthene Using XRD, XAS and DFT Calculations
Authors: Y.-C. Chuang, G.-H. Lee, Y. Wang
Keywords: charge density, XAS, DFT
Poster Session: 26 Board: 115 Page in the Book of Abstracts: C427
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An Examination of All the Inter-ion Interactions in (CH3)2N(H)CH2CH2N(H)(CH3)2(SCN)2
Authors: S. Cameron, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, P. Munshi
Keywords: multipole refinement, hydrogen bonding, topological properties of charge distribution
Poster Session: 26 Board: 116 Page in the Book of Abstracts: C428
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Rb4C60 Equation of States and Electronic Density Study by Compton Scattering
Authors: G. Loupias, C. Bellin, A. Sabouri-Dodaran, M. Marangolo, F. Mauri, S. Rabii, M. Mezouar, T. Buslaps
Keywords: structural change, Compton scattering, high pressure X-ray diffraction
Poster Session: 26 Board: 117 Page in the Book of Abstracts: C428
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An Examination of All the Inter-ion Interactions in Tetraphenyphosphonium Squarate
Authors: D. Wolstenholme, T. S. Cameron, J. D. Ferrara, K. N. Robertson
Keywords: multipole refinement, hydrogen bonding, topological properties of charge distribution
Poster Session: 26 Board: 118 Page in the Book of Abstracts: C428
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X-ray Charge Density of a New Magnetic Metal Organic Framework, Mn3(C8O4H3)3(C5H11ON)2
Authors: R. D. Poulsen, A. Bentien, M. Chevalier, B. B. Iversen
Keywords: charge density, physical properties, metal organic framework
Poster Session: 26 Board: 119 Page in the Book of Abstracts: C428
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Charge Density of 1-Phenylpropane-1,2,3-Triyl Trinitrate
Authors: D. Marabello, R. Bianchi, G. Gervasio, A. Gasco
Keywords: experimental charge density, ab initio calculations, pharmaceuticals
Poster Session: 26 Board: 120 Page in the Book of Abstracts: C429
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Ru3(CO)12. Why D3h?
Authors: G. Gervasio, D. Marabello, R. Bianchi
Keywords: experimental charge density, ab initio calculations, ruthenium cluster
Poster Session: 26 Board: 121 Page in the Book of Abstracts: C429
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On the (Non)-Planarity of 1,2,4,5-Tetramethoxybenzene
Authors: C. M. Vande Velde, E. Bultinck, F. Blockhuys
Keywords: ab initio calculations, charge density, conformational studies
Poster Session: 26 Board: 122 Page in the Book of Abstracts: C429
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16 Crystal Growth: Techniques, Instrumentation and Applications
1. Systems that are Difficult to Crystallise

Use of Reductive Methylation of Proteins to Increase Crystallization Efficiency at the Midwest Center for Structural Genomics
Authors: Y. Kim, P. Quartey, L. Lezondra, C. Hatzos, M. Zhou, N. Maltseva, H. Li, R. Wu, A. Joachimiak
Keywords: reductive methylation, structural genomics, attrition rate
Poster Session: 26 Board: 123 Page in the Book of Abstracts: C437
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16 Crystal Growth: Techniques, Instrumentation and Applications
2. Industrial Mass Crystallisation

Implementation of a Novel Protein Crystal Image Analysis Package
Authors: D. Frankel, R. Affleck
Keywords: protein crystallization, imaging, protein crystal growth
Poster Session: 26 Board: 124 Page in the Book of Abstracts: C437
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16 Crystal Growth: Techniques, Instrumentation and Applications
3. Crystal Growth from Solution and Gels

AFM Observation and Morphing-reconstruction of Dynamics of Crystal Growth
Authors: N. Piskunova
Keywords: AFM , crystal growth from solution , surface morphology
Poster Session: 26 Board: 125 Page in the Book of Abstracts: C437
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Catalysed Growth of Doped TGS Single Crystals with Pt(IV) Ions
Authors: J. Novotny
Keywords: crystal growth, ferroelectric crystals, domains
Poster Session: 26 Board: 126 Page in the Book of Abstracts: C437
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Crystallization of Water-soluble Inorganic Salts in Microwave Field
Authors: S. Kochetkov, V. A. Kuznetsov, A. V. Ljashenko, V. S. Bakshutov
Keywords: crystal growth, microwave, solutions
Poster Session: 26 Board: 127 Page in the Book of Abstracts: C437
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Monitoring Polymorphic Transformations in Solution
Authors: N. Blagden
Keywords: polymorphism, in situ diffraction, crystal growth
Poster Session: 26 Board: 128 Page in the Book of Abstracts: C438
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Growth of the KDP Filamentary Crystals from Solution with Impurities
Authors: D. Vorontsov, V. N. Portnov, E. V. Chuprunov
Keywords: crystal growth, impurity additives, atomic force microscopy
Poster Session: 26 Board: 129 Page in the Book of Abstracts: C438
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Crystal Growth and Characterization on Non-linear Optical L-tyrosine Chloride
Authors: S. M. Dharmaprakash, B. N. Moolya, A. Jayarama
Keywords: none, none, none
Poster Session: 26 Board: 130 Page in the Book of Abstracts: C438
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Growth of Cs2Ni(SO4)2•6H2O and Rb2Ni(SO4)2.6H2O and their Characteristics
Authors: V. Manomenova, E. B. Rudneva, A. E. Voloshin, L. F. Malahova
Keywords: crystal growth, optical properties, structural analysis
Poster Session: 26 Board: 131 Page in the Book of Abstracts: C438
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Protein Crystal Growth in Planar and Integrated Gel Interface Diffusion Device
Authors: A. Sanjoh, R. Tanimura, M. Moro'oka
Keywords: crystallization of proteins, crystallization methods, structural genomics
Poster Session: 26 Board: 132 Page in the Book of Abstracts: C439
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How to Optimize Gel-Tube Method
Authors: M. Yamanaka, H. Tanaka, K. Inaka, M. Sato, S. Takahashi, S. Sugiyama, S. Sano, M. Motohara, T. Kobayashi, S. Yoshitomi
Keywords: crystal growth apparatus design, counter diffusion, gel tube
Poster Session: 26 Board: 133 Page in the Book of Abstracts: C439
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Optimized Crystallization Solution Analyzed From JAXA Cryoprotectant Database
Authors: M. Sato, S. Takahashi, H. Tanaka, M. Sato, M. Motohara, S. Sano, T. Kobayashi, S. Yoshitomi
Keywords: cryoprotectant database, X-ray diffraction, statistical analysis
Poster Session: 26 Board: 134 Page in the Book of Abstracts: C439
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Optical and Morphological Properties of Lead Sulphide (PbS) Thin Films
Authors: S. Kaci, M. Boudjelab
Keywords: lead sulfide, thin film, chemical bath deposition
Poster Session: 26 Board: 135 Page in the Book of Abstracts: C439
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The Effect of Polyelectrolytes on Nano Hydroxyapatite Crystal Growth
Authors: Ö. Dogan, M. Oner
Keywords: hydroxyapatite, biomineralization, crystallization
Poster Session: 26 Board: 136 Page in the Book of Abstracts: C439
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Morphological Control of Calcium Oxalate by Hydrophilic Block Copolymers
Authors: E. Akyol, M. Oner
Keywords: Calcium oxalate, crystallization, morphology
Poster Session: 26 Board: 137 Page in the Book of Abstracts: C440
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Searching the Crystallisation Parameter Space using Evolutionary Algorithms
Authors: N. E. Chayen, E. Saridakis
Keywords: biocrystallization, crystallogenesis, crystallization strategies
Poster Session: 26 Board: 138 Page in the Book of Abstracts: C440
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Crystallization Platform Integrating Screening & a Novel Optimization Strategy
Authors: D. Suck, J. Basquin
Keywords: crystallization robots, optimization, biological macromolecular crystallization
Poster Session: 26 Board: 139 Page in the Book of Abstracts: C440
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16 Crystal Growth: Techniques, Instrumentation and Applications
4. Crystal Growth and Characterisation From the Melt

Li3.17(P0.69Ge0.24Mo0.07)O4: Growth under Electrical Field and the Structure
Authors: D. Ksenofontov, L. N. Dem’yanets, N. V. Zubkova, A. K. Ivanov-Schitz, D. Y. Pushcharovsky
Keywords: crystal growth, conductors, electrocrystallization
Poster Session: 26 Board: 140 Page in the Book of Abstracts: C440
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Phenomenon Of Polytypism In Melt Grown Layered Crystals Of CdI2, PbI2 and CdBr2
Authors: S. K. Chaudhary, H. Kaur
Keywords: X-ray diffraction, polytypes, melt growth
Poster Session: 26 Board: 141 Page in the Book of Abstracts: C441
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Nonstationary Heat Field as a New Approach in Bridgman Crystal Growth
Authors: K. Kokh, A. Kokh, G. Shvedenkov
Keywords: crystal growth apparatus design, convection, nonlinear optical materials
Poster Session: 26 Board: 142 Page in the Book of Abstracts: C441
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Growth and Crystal Structure of Bismuth Octaborate, á-Bi2B8O15
Authors: F. Zavartsev, G. M. Kuz’micheva, V. B. Rybakov, S. A. Koutovoi, I. A. Shcherbakov, A. I. Zagumennyi
Keywords: bismuth octaborate, crystalline solid solutions, crystal structure
Poster Session: 26 Board: 143 Page in the Book of Abstracts: C441
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Flux Growth and Characterization of Gallium-substituted YAl3(BO3)4 Crystals
Authors: V. Maltsev, N. Leonyuk
Keywords: boron compounds, crystal growth from solution, crystal characterization
Poster Session: 26 Board: 144 Page in the Book of Abstracts: C441
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Characterization of Profiled LiNbO3 and SBN Crystals by X-ray Diffraction
Authors: L. Ivleva, V. Voronov, M. Samoylovitch
Keywords: Stepanov technique, X-ray topography, crystal defects
Poster Session: 26 Board: 145 Page in the Book of Abstracts: C441
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Growth, Magnetic Behavior and Structure of Single Crystals of Pure and Mg Doped SrCu2(BO3)2
Authors: H. A. Dabkowska, S. Dunsiger, A. B. Dabkowski, G. M. Luke, J. S. Preston, B. D. Gaulin
Keywords: optical floating zone technique , magnetic susceptibility, neutron diffraction
Poster Session: 26 Board: 146 Page in the Book of Abstracts: C442
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16 Crystal Growth: Techniques, Instrumentation and Applications
5. Microgravity Crystallisation

JAXA-GCF Project -- High-quality Crystals Grown in Space for Structural Biology
Authors: M. Sato, H. Tanaka, K. Inaka, S. Shinozaki, A. Yamanaka, S. Takahashi, M. Yamanaka, E. Hirota, S. Sugiyama, M. Kato, C. Saito, S. Sano, M. Motohara, T. Nakamura
Keywords: space experiment, microgravity crystal growth, high quality protein crystal
Poster Session: 26 Board: 147 Page in the Book of Abstracts: C442
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Atomic Resolution Crystals Obtained in Viscous Crystallizing Condition in Space
Authors: H. Tanaka, K. Inaka, M. Sato, S. Takahashi, S. Sugiyama, M. Yamanaka, S. Sano, M. Motohara, T. Kobayashi, S. Yoshitomi
Keywords: microgravity crystal growth, viscosity, polyethylene glycol
Poster Session: 26 Board: 148 Page in the Book of Abstracts: C442
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16 Crystal Growth: Techniques, Instrumentation and Applications
6. Epitaxial Growth

In-situ X-ray diffraction during Pulsed Laser Deposition
Authors: V. Vonk, K. Driessen, M. Huijben, S. Harkema, H. Graafsma
Keywords: laser ablation, superconductor films, synchrotron X-ray diffraction
Poster Session: 26 Board: 149 Page in the Book of Abstracts: C442
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Crystallization of RAl3(BO3)4 and R:YAl3(BO3)4 Single Crystal Layers
Authors: E. Volkova, N. I. Leonyuk, A. V. Mokhov, E. A. Golubev
Keywords: liquid epitaxy, epitaxial layers, kinetics and mechanism of crystal growth
Poster Session: 26 Board: 150 Page in the Book of Abstracts: C443
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RHEED Observation of c-GaN on 3C-SiC/Si(001) Template Grown by RF-MBE
Authors: T. Ohachi, T. Kikuchi, A. S. Somintac, M. Wada
Keywords: epitaxial layers of c-GaN, in situ observations by RHEED, RF-MBE
Poster Session: 26 Board: 151 Page in the Book of Abstracts: C443
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Photoluminiscence Study of Selenium Doped GaSb Layers Grown by Liquid Phase Epitaxy
Authors: J. Olvera, J. Olvera-Cervantes, M. Rojas-López, F. de Anda, E. Momox-Beristain, A. Olvera
Keywords: Ga Sb, photoluminescence, liquid phase epitaxy
Poster Session: 26 Board: 152 Page in the Book of Abstracts: C443
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16 Crystal Growth: Techniques, Instrumentation and Applications
7. Crystal Doping and Imperfections

Substitutional and Interstitial Inclusions of Mn Additivies onto the KDP Lattice
Authors: L. H. Avanci, C. M. R. Remédios, F. C. Nascimento, M. H. Tabacniks, J. M. Sasaki, L. P. Cardoso, S. L. Morelhão
Keywords: inclusion phenomena , X-ray diffraction, Rietveld analysis
Poster Session: 26 Board: 153 Page in the Book of Abstracts: C443
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16 Crystal Growth: Techniques, Instrumentation and Applications
8. Self-assembled Crystals

New Routes in Carbon Nanotube Synthesis by Means of a Modified Hot Filament Chemical Vapor Deposition Technique
Authors: A. Fiori, S. Orlanducci, V. Sessa, E. Tamburri, M. L. Terranova, M. Rossi
Keywords: nanotubes, nanostructures, chemical vapor deposition
Poster Session: 26 Board: 154 Page in the Book of Abstracts: C443
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16 Crystal Growth: Techniques, Instrumentation and Applications
10. Crystal Growth: Modelling, and Predicting Morphology

“Latent” Phase Clusters (Kvatarons) as Growth Units
Authors: A. Askhabov
Keywords: nucleation and crystal growth mechanism, clusters, kvatarons
Poster Session: 26 Board: 155 Page in the Book of Abstracts: C444
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Numerical Modeling of Interaction of Particles with Solidifying Crystals
Authors: C. Schvezov, M. Rosenberger, E. Agaliotis
Keywords: computer simulation of solidification, melt growth, pushing
Poster Session: 26 Board: 156 Page in the Book of Abstracts: C444
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Crystal Growth and Morphology Prediction of Two Quinacridone Polymorphs
Authors: N. Panina, F. Janssen, G. Deroover, H. Meekes, E. Vlieg
Keywords: polymorphism, crystal morphology, crystal growth computer modelling
Poster Session: 26 Board: 157 Page in the Book of Abstracts: C444
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MONTY: an Algorithm for Predicting Growth Rates for any Crystal Structure in any Orientation.
Authors: H. Meekes, H. M. Cuppen, S. X. M. Boerrigter
Keywords: morphology, modelling, surface structure
Poster Session: 26 Board: 158 Page in the Book of Abstracts: C444
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16 Crystal Growth: Techniques, Instrumentation and Applications
12. Twinning: Acceptance and Avoidance

Lattice Aspects of Crystal Twinning
Authors: H. Grimmer
Keywords: crystal growth, twinning, coincidence site lattice
Poster Session: 26 Board: 159 Page in the Book of Abstracts: C445
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16 Crystal Growth: Techniques, Instrumentation and Applications
13. Polymorphism: Recognition and Applications

Selective Polymorph Transformation of Anthranilic Acid via Solvent-drop Grinding
Authors: N. Shan, S. Feng, R. B. H. Tan, K. J. Carpenter, A. V. Trask, W. D. S. Motherwell, W. Jones
Keywords: polymorphism, grinding, anthranilic acid
Poster Session: 26 Board: 160 Page in the Book of Abstracts: C445
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Array Crystallisation for Functionalised Organics Using Different Variables
Authors: S. Callear, S. Ward, M. Hursthouse
Keywords: polymorphism, crystallization, screening
Poster Session: 26 Board: 161 Page in the Book of Abstracts: C445
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16 Crystal Growth: Techniques, Instrumentation and Applications
14. Low Temperature in situ Crystallisation

In situ Crystallization: Phase Transition and Polymorphism in Ionic Liquids
Authors: A. R. Choudhury, N. Winterton, A. Steiner, A. I. Cooper, K. A. Johnson
Keywords: ionic liquid, cryocrystallization, polymorphism
Poster Session: 26 Board: 162 Page in the Book of Abstracts: C445
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16 Crystal Growth: Techniques, Instrumentation and Applications
15. No sub-theme

Improved Crystal Detection of Protein Crystals by Bulk Contrast Enhancement
Authors: P. Nollert, M. Mixon
Keywords: crystal detection, lipidic cubic phase, image processing
Poster Session: 26 Board: 163 Page in the Book of Abstracts: C446
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How a New Chemical Compatibility Test Facilitates Protein’s Crystallization.
Authors: J.-P. Viola, S. Tétreault, C. Houde
Keywords: biological macromolecular crystallization, optimization, crystal growth apparatus design
Poster Session: 26 Board: 164 Page in the Book of Abstracts: C446
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22 Aperiodic and Incommensurate structures
4. No sub theme

Structural Study of Single Crystalline i-Zn-Mg-Dy at High Pressure and High Temperature
Authors: Q. Gu, G. Krauss, W. Steurer
Keywords: high temperature, quasicrystal, high pressure
Poster Session: 26 Board: 165 Page in the Book of Abstracts: C477
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Framework Structure for Quasicrystal Models Based on Dense Icosahedral Sphere Packings
Authors: H. Takakura, H. Takakura, A. Yamamoto
Keywords: quasicrystal, structure modelling, higher dimensional structure analysis
Poster Session: 26 Board: 166 Page in the Book of Abstracts: C477
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22 Aperiodic and Incommensurate structures
1. Data Collection and Structure Solution

Structure of LaSrCuO3.5
Authors: J. Hadermann, N. Creon, O. Perez, C. Michel, M. Hervieu
Keywords: incommensurate structures, structural analysis, copper oxides
Poster Session: 26 Board: 167 Page in the Book of Abstracts: C475
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HMT-Resorcinol: An Example of Modulated Structure in Substituted HMT Adducts.
Authors: M. S. Rodriguez, G. Chapuis
Keywords: superspace refinement, incommensurate structures, modulated structure
Poster Session: 26 Board: 168 Page in the Book of Abstracts: C475
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The Way of Crystal of [cpMe4SiMe2N(t-Bu)]TiCl2 from Disorder thru Modulation to Twinning
Authors: I. Cisarova, V. Petricek, K. Mach
Keywords: modulated structure, phase transition, catalyst structure
Poster Session: 26 Board: 169 Page in the Book of Abstracts: C475
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Structure of the Pseudodecagonal Al-Co-Ni Approximant PD4
Authors: P. Oleynikov, L. Demchenko, S. Hovmöller, X. D. Zou, M. Döblinger, B. Grushko
Keywords: quasicrystal, direct methods, structure simulation
Poster Session: 26 Board: 170 Page in the Book of Abstracts: C475
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22 Aperiodic and Incommensurate structures
2. Identification and Refinement

Diffuse Scattering from Composite Crystals Containing Stacking Faults
Authors: M. Onoda, Y. Miyazaki, T. Kajitani, Y. Gotoh
Keywords: composite crystals, stacking faults, diffuse scattering
Poster Session: 26 Board: 171 Page in the Book of Abstracts: C475
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5-D Modeling of the Co-rich Decagonal Al-Co-Ni Quasicrystal
Authors: D. Deloudi, W. Steurer
Keywords: quasicrystal, five dimensional modeling, W phase
Poster Session: 26 Board: 172 Page in the Book of Abstracts: C476
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Modulated Structure of [FeCl(DMPE)2(NCC6H4NO2)][PF6] a Material for Use in NLO
Authors: L. Straver, V. Petricek, M. T. Duarte, M. F. M. da Piedade, M. P. Robalo, A. P. S. Teixeira, M. H. Garcia
Keywords: NLO, organometallic compounds, modulated structure
Poster Session: 26 Board: 173 Page in the Book of Abstracts: C476
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Dislocation Dynamics in a Dodecagonal Quasiperiodic System
Authors: R. Lifshitz, G. Barak
Keywords: dislocation dynamics, quasicrystal, computer simulation
Poster Session: 26 Board: 174 Page in the Book of Abstracts: C476
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22 Aperiodic and Incommensurate structures
3. Results and Applications

Ab initio Simulations on the W-phase of the Al-Co-Ni system
Authors: K. H. Hassdenteufel, W. Steurer, A. R. Oganov
Keywords: quasicrystal, ab initio calculations, clusters
Poster Session: 26 Board: 175 Page in the Book of Abstracts: C476
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Interaction and Phase Transitions in a Potototype Self-assemblied Supramolecular Aperiodic Crystal
Authors: B. Toudic, L. Bourgeois, C. Ecolivet, P. Garcia, P. Bourges, T. Brewczewskic, G
Keywords: aperiodic materials, supramolecular assemblies, phase transitions
Poster Session: 26 Board: 176 Page in the Book of Abstracts: C476
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25 Industrial Crystallography
1. Instrumentation and Techniques

Characterization of Heteropoly Acids by X-ray Powder Diffraction at SPring-8
Authors: A. Kitano, K. Miura, K. Miyashita, N. Adachi, I. Matsuda, S. Himeno, S. Komiya
Keywords: heteropoly acids, powder diffraction in industry, synchrotron radiation
Poster Session: 26 Board: 177 Page in the Book of Abstracts: C485
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Convergent Beam Method in X-ray Diffractometry to Determine Single Crystal Cuts’ Orientation
Authors: A. Lyuttsau, M. A. Kumakhov, N. S. Ibraimov, S. V. Nikitina, A. E. Bulkin, A. D. Zvonkov, A. V. Kotelkin
Keywords: convergent beam diffraction, X-ray, orientation
Poster Session: 26 Board: 178 Page in the Book of Abstracts: C485
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New Model-free Method of Aberrations Correction for X-ray Powder Diffractometry
Authors: V. Kogan
Keywords: instrumental computing, instrumentation and software, X-ray diffraction theory
Poster Session: 26 Board: 179 Page in the Book of Abstracts: C485
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25 Industrial Crystallography
2. Stress-Strain Analysis

Residual Stress Measurements for Rocks by TOF Neutron Diffraction Methods.
Authors: T. Ishigaki, H. Obana, S. Harjo, M. Yonemura, K. Iwase, J. Kodama, T. Kamiyama
Keywords: residual stress measurements, neutron diffraction, granite rock
Poster Session: 26 Board: 180 Page in the Book of Abstracts: C485
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Microstructural Evolution of Titanium Alloy (Ti-6Al-4V) after Metal Cutting Assisted by High Pressured Jet Cooling
Authors: P. Liu, M. Vosough, I. Svenningsson
Keywords: titanium alloy, residual stress, metal cutting
Poster Session: 26 Board: 181 Page in the Book of Abstracts: C485
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25 Industrial Crystallography
3. On Line Diffraction Analysis

New Tools to Integrate Data Analysis and Data Collection at SSRL: Web-Ice.
Authors: A. Gonzalez, P. Moorhead, S. Mc Phillips, N. K. Sauter
Keywords: data collection, data analysis, automation
Poster Session: 26 Board: 182 Page in the Book of Abstracts: C486
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25 Industrial Crystallography
7. Nanomaterials

Study of Micro Structural Defect Parameters in Nickel Dispersed Silica Nano Composites by Warren-Averbach Method and Modified Rietveld Technique
Authors: S. K. Chatterjee, A. K. Meikap, S. K. Chattopadhyay
Keywords: nanocrystals, defect analysis, diffraction
Poster Session: 26 Board: 183 Page in the Book of Abstracts: C486
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Synchrotron XRD Study of ZrO2-CeO2 Nanopowders Synthesised by Gel-combustion
Authors: D. Lamas, R. Fuentes, I. Fábregas, M. E. Rapp, G. Lascalea, J. Casanova, N. W. de Reca, A. Craievich
Keywords: synchrotron powder diffraction, zirconia ceria, nanocrystalline materials
Poster Session: 26 Board: 184 Page in the Book of Abstracts: C486
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Characterization of Individual Zincoxide Nano-belts by using X-Ray Nano-Diffraction Technique
Authors: I. Dragomir-Cernatescu, Y. Xiao, P. X. Gao, Z. Cai, Z. L. Wang, R. L. Snyder
Keywords: nanobelts, X-ray nanodiffraction, nanostructures
Poster Session: 26 Board: 185 Page in the Book of Abstracts: C486
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Structural Characterization of Hybrid Carbon Nanomaterials
Authors: M. Rossi, M. L. Terranova, E. Tamburri, S. Orlanducci, A. Fiori
Keywords: RHEED, nanophase systems, carbon nanotube
Poster Session: 26 Board: 186 Page in the Book of Abstracts: C487
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Strain, Size and Composition of Buried GaN Quantum Dots in AlN Using Grazing Incidence Anomalous Diffraction
Authors: V. Favre-Nicolin, J. Coraux, H. Renevier, M.-G. Proietti, J.-R. Regnard, B. Daudin
Keywords: nanostructures, anomalous scattering, synchrotron
Poster Session: 26 Board: 187 Page in the Book of Abstracts: C487
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25 Industrial Crystallography
9. Thick Coatings

Structure Indexing and Solution from Non-Ambient XRPD Data
Authors: G. Lewis, S. Cosgrove
Keywords: powder diffraction under non ambient conditions , pharmaceutical structure determination, hydrates
Poster Session: 26 Board: 188 Page in the Book of Abstracts: C487
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25 Industrial Crystallography
10. Pharmaceutical Crystallography

Structure Analysis of Pharmaceutical Compounds from Powder Diffraction Data
Authors: N. Imayoshi, K. Sakamoto, K. Suzuki
Keywords: pharmaceuticals, polymorphs, powder refinement
Poster Session: 26 Board: 189 Page in the Book of Abstracts: C487
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The Study on the Stability of a Drug. Can a Product Have Life?
Authors: X. Solans
Keywords: pharmaceutical crystallography, stability, polymorphs
Poster Session: 26 Board: 190 Page in the Book of Abstracts: C488
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Ab-initio Structure Determination of Two Kinds of Forma for Adrenal Cortical Hormone, Predonisolone.
Authors: S. Misaki, T. Ogura, S. Aoyagi, E. Nishibori, M. Sakata
Keywords: predonisolone, ab initio structure determination, genetic algorithm
Poster Session: 26 Board: 191 Page in the Book of Abstracts: C488
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Crystal Structure of MCoA-ACPT from Thermus thermophilus HB8
Authors: K. Suzuki, S. Misaki, I. Shiromizu, M. Takimoto-Kamimura, M. Bando, N. Kunishima, Y. Nodake, M. Sugahara, K. Nishijima
Keywords: protein 3000 project in Japan, malonyl CoA acyl carrier protein transacylase, thermus thermophilus HB8
Poster Session: 26 Board: 192 Page in the Book of Abstracts: C488
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Pharmaceutical Application of Synchrotron X-ray Powder Diffraction at SPring-8
Authors: K. Miura, A. Kitano, S. Komiya
Keywords: powder diffraction in industry, pharmaceutical structure determination, synchrotron radiation application
Poster Session: 26 Board: 193 Page in the Book of Abstracts: C488
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Mepivacaine Hydrochloride Polymorphs: a Drug Production Quandary
Authors: V. Giannellini, M. Bambagiotti-Alberti, B. Bruni, M. Di Vaira, F. Costantino
Keywords: mepivacaine-hydrochloride, polymorphs, X-ray diffraction
Poster Session: 26 Board: 194 Page in the Book of Abstracts: C489
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25 Industrial Crystallography
11. No sub-theme

Retarding Effects of Cellulose Ethers on Early Portland Cement Hydration
Authors: H. J. Weyer, I. Mueller, D. Bosbach, B. Schmitt, H. J. Weyer, A. Putnis
Keywords: in situ cement hydration, synchrotron powder diffraction, microstrip detector
Poster Session: 26 Board: 195 Page in the Book of Abstracts: C489
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In situ studies of model High-Temperature Shift catalysts
Authors: A. Molenbroek, R. E. Johnsen, K. Ståhl
Keywords: high temperature shift catalysts, in situ structure determination, XAFS XRD TEM
Poster Session: 26 Board: 196 Page in the Book of Abstracts: C489
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26 Crystallographic Teaching
1. Changes in Teaching Methods for the Future

Successfulness of a New Approach in Crystallographic Educator’s Activity
Authors: P. Kodess, B. N. Kodess
Keywords: teaching aids in crystallography, instructional software, pedagogics
Poster Session: 26 Board: 197 Page in the Book of Abstracts: C491
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Three Crystallographic Aids for Teaching Early Science Classes. Start Them Young!
Authors: J. Loehlin, C. Woo
Keywords: teaching aids, lattice, unit cell
Poster Session: 26 Board: 198 Page in the Book of Abstracts: C491
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26 Crystallographic Teaching
4. Preparation for Publication; CIF Files; How Much?

Writing Papers for Section C of Acta Crystallographica
Authors: A. Linden
Keywords: journal publication, publishing, technical writing
Poster Session: 26 Board: 199 Page in the Book of Abstracts: C491
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26 Crystallographic Teaching
5. Crystallography on the World Wide Web

Internet-Based X-ray Server
Authors: S. Stepanov
Keywords: simulation X-ray diffraction, web internet techniques, X-ray diffraction theory
Poster Session: 26 Board: 200 Page in the Book of Abstracts: C491
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Late Abstracts
1

Structure Discovery Using an Integrated Microfluidic Crystallization System
Authors: K. Farrell, A. May, S. Godley, K. Yokobata, K. Self, P. Wyatt
Keywords: sub nanoliter crystallization, free interface diffusion, precision metering
Poster Session: 26 Board: 201 Page in the Book of Abstracts: C0
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Crystal and Molecular Structure of 2, 5 - bis(butoxy) 1,4-bis (biphength ethynyl) Benzene and 2, 5-bis (Octyloxy) 1, 4-bis (biphenyl ethynyl) Benzene
Authors: S. A. Chawdhury, P. R . Raithby, M. Younus
Keywords: X-ray, crystal structure, semiconductors
Poster Session: 26 Board: 202 Page in the Book of Abstracts: C0
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This is an archive of the official website for the IUCrXX Congress at Florence in 2005. Some images and text may be missing and some links no longer work.