Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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FOUNDATIONS
ADVANCES

Volume 61| Part a1

ISSN: 2053-2733

August 2005 issue

Abstracts of the XX IUCr Congress

Florence, Italy, 23-31 August 2005

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abstracts

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A theoretician's view of crystallography

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Structure and recognition in the BARS/CtBP-dependent transcription regulation

M. Bolognesi and M. Nardini

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Ion pumping by Ca²⁺-ATPase of sarcoplasmic reticulum

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Neutrons and X-rays for microstructure and strain/stress analysis in materials

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Single-particle diffraction

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Elucidating the structures of nanoporous microcrystals

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Structure analysis of modulated crystals: trends and tendencies

V. Petricek and M. Dusek

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High throughput technologies in structural biology

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Structure solution of pharmaceutical compounds from powder diffraction data

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Quasicrystal structure analysis. The state of the art

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Structure of protein assemblies by comparative modeling and electron microscopy

A. Sali, M. Topf, M. L. Baker and W. Chiu

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Quantum mechanical simulation of the vibrational properties of garnets

R. Dovesi, R. Orlando, F. Pascale and J. F. Torres

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In situ X-ray study of hydrothermally prepared titanates and silicotitanates

A. Clearfield, A. Tripathi and D. Medvedev

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Catalysts of de novo disulfide bond formation

D. Fass, E. Gross, N. Heldman and E. Vitu

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Synthetic crystallography

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A perspective on the crystal structures of high pressure elements and their properties

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Some new insights in to the mechanisms of fullerene and nanotube formation

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Protein kinase inhibition and substrate recognition

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Crystallography in inorganic solid-state chemistry

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The importance of structure in the design of lithium battery materials

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Pore-forming toxins

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Pressure induced complexity in the elements

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Electrostatic and related properties from accurate charge density analyses

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Structural and functional studies of large macromolecular assemblies

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Microbeam diffraction using high energy synchrotron radiation

L. Margulies, H. Poulsen and D. J. Jensen

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New possibilities for structure determination of biomolecular complexes

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Bound ligands to probe the activity of type 2 copper sites in proteins

M. E. P. Murphy

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Crystallochemical basis of synthetic mineral immobilisation

T. White, M. Srinivasan and J. Kim

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Molecular recognition principles in protein-ligand interactions as a prerequisite for the design of specific and selective leads

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Structural studies of macromolecular complexes: cytochrome b₆f

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Metal-organic frameworks: assembly and crystal dynamics of functional materials

M. P. Suh, E. Y. Lee, H. R. Moon and H. J. Choi

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Nano structures studied by convergent beam electron diffraction

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Ultrafast electron crystallography

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Structural studies of amyloid

D. Eisenberg, R. Nelson, M. R. Sawaya, M. Balbirnie, A. Ø. Madsen, C. Riekel, S. Sambashivan, Y. Liu, M. Gingery and R. Grothe

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The surface structure of model catalyst in action investigated by X-ray diffraction

S. Ferrer, M. D. Ackermann, O. Robach, B. L. M. Hendriksen, I. Popa and J. Frenken

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Strategies and design principles in biomineralization

L. Addadi and S. Weiner

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Optimizing your crystals - is it really worth the time?

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Improvement of crystal quality by time controlled annealing

V. Stojanoff, A. Vahedi-Faridi and J. I. Yeh

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Designed ankyrin repeat proteins as tools for the crystallization of proteins

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Effect of crystal size and cooling method on cryoprotection and data quality

C. Schall, U. Chinte, B. Shah and L. Hanson

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Data mining and machine learning for improved crystallization success - expectations and reality

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The amazing versatility of proteins - structural polymorphism and evolution

A. M. Gronenborn, I.-J.L. Byeon and J. M. Louis

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The mechanisms of conversion of proteins into amyloid fibrils

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Structural changes in the bacterial toxin pneumolysin during pore formation

S. Tilley, E. Orlova, R. Gilbert, P. Andrew and H. Saibil

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Obeying Anfinsen: a serpin that folds to the most stable state

J. C. Whisstock, Q. Zhang, R. H. P. Law, K. Ruzyla, J. A. Irving, L. Cabrita, K. F. Fulton, A. M. Lesk, A. M. Buckle, J. Rossjohn and S. P. Bottomley

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Spontaneous resolutions in halogen bonded fluorinated networks

P. Metrangolo, H. Neukirch, T. Pilati and G. Resnati

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Invariom modeling for improving absolute structure determination

M. Strumpel, M. Schaefer, T. Koritsanszky and B. Dittrich

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Optical topographies of chiral structures

W. Kaminsky and B. Kahr

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Nonlinear optical properties of chiral polymers and systems

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Some reminiscences of non-centrosymmetric structures

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Modifying nucleation kinetics of polymorphic crystals in bulk and emulsion states

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Controlling crystal polymorphism: from stability prediction to crystallization process design

S. M. Reutzel-Edens

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Crystal structure prediction: theory, applications and challenges

F. J. J. Leusen

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Polymorphism in co-crystals and pharmaceutical co-crystals

M. Zaworotko and V. Peddy

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An exploration of polymorphism in molecular crystals using high pressure

C. R. Pulham, F. P. A. Fabbiani, D. R. Allan, A. J. Davidson, W. G. Marshall and S. Parsons

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Structural transitions in perovskites: successes of a group theoretical approach

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Phase transitions in relaxor ferroelectric based solid solutions

D. Pandey and A. K. Singh

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The phase diagram of Ca_2-xSr_xRuO₄: crystal structure and physical properties

M. Braden, O. Friedt, O. Schumann, J. Baier, P. Steffens, M. Kriener, T. Lorenz, F. Bouree, G. André, A. Gukasov, P. G. Radaelli, S. Nakatsuji and Y. Maeno

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Volume collapse at the Jahn-Teller transition in LaMnO₃

T. K. Chatterji, B. Ouladdiaf and F. Fauth

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Nucleation and growth mechanisms in solid-solid phase transitions

S. Leoni and D. Zahn

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Application of X-ray diffraction in the forensic science laboratory of Stuttgart Germany

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Soil mineralogy and other properties in forensic investigations

R. W. Fitzpatrick and M. Raven

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Applications of XRD in forensic casework

W. Heijnen, A. van de Craats, J. de Koeijer, L. Koomen and M. Warmerdam

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X-ray chemical analysis for forensic applications using synchrotron radiation

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The Zintl-Klemm concept applied to cations in oxides. An alternative interpretation of the structures of silicates

A. Vegas, D. Santamaría-Pérez and F. Liebau

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Uranyl selenates: from finite clusters to nanotubules

S. V. Krivovichev, V. Kahlenberg, I. Tananaev and B. Myasoedov

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Molecule-mineral inner-surface interactions in nanoporous silicates

C. A. Geiger and B. A. Kolesov

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TEM and XPS evidences of O/F ordering in NbO₂F

C. Ferraris, T. White, M. Srinivasan, A. di Bona and R. Smart

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Crystal structures and topology of new and rare arsenates

N. V. Zubkova, D. Y. Pushcharovsky, S. J. Teat, E. J. Mac Lean and H. Sarp

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Does the crystal structure of ammonium transporter tell us its function?

X.-D. Li, L. Zheng, D. Kostrewa, S. Bernèche and F. K. Winkler

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Two OMPs: autotranslocation and LPS-deacylation

L. Vandeputte-Rutten, C. J. Oomen, J. Tommassen and P. Gros

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X-ray structures of phospholipids in bovine heart cytochrome c oxidase

H. Aoyama, K. Shinzawa-Itoh, H. Terada, Y. Tadehara, E. Yamashita, T. Sugimura, T. Tsukihara and S. Yoshikawa

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Structure of rhodopsin as a G protein-coupled receptor

J. Li, P. Edwards, G. Schertler and M. Burghammer

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Dephosphorylation of the calcium pump coupled to counterion occlusion

C. Olesen, T. L. Sørensen, R. C. Nielsen, J. Møller and P. Nissen

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XAS and XRD: complementary tools to explore matter under extreme pressure

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Element- and site-specific study of the atomic origin of magnetic hardness in modern magnets

D. Haskel, J. Lang, Z. Islam, A. Cady, G. Srajer, M. Van Veenendaal, P. Canfield and A. Ankudinov

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X-rays to elucidate the structure of catalysts: probing the local and the crystalline structure by XAS and XRD

J.-D. Grunwaldt and A. Baiker

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Structural properties of semiconductor nanostructures determined via X-ray anomalous diffraction (DAFS) and absorption (EXAFS)

M. G. Proietti, J. Coraux, H. Renevier, V. Favre-Nicolin, C. Monat, M. Gendry and B. Daudin

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The power of the multi-disciplinary approaches to the study of minor and trace element incorporation in geo- and technological materials

S. Quartieri, R. Oberti, M. C. Dalconi, F. Boscherini, G. Iezzi and M. Boiocchi

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Time-resolved photocrystallography of short-lived molecular excited states

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Crystal structure prediction with WIEN2k

K. Schwarz and P. Blaha

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Correlation of structures and reactivity of bispidine coordination compounds

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Structure of halofullerenes using experimental and theoretical approaches

S. Troyanov, N. Shustova, A. Popov, I. Ioffe and E. Kemnitz

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The nature of the HB. 3. Towards a comprehensive HB theory

P. Gilli, V. Bertolasi, V. Ferretti and G. Gilli

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Roles of X-ray optics in the next generation X-ray source

M. Yabashi, K. Tamasaku, Y. Tanaka, T. Hara, T. Tanaka, S. Goto, T. Shintake, H. Kitamura and T. Ishikawa

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Ultrafast X-ray studies of structural dynamics

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Imaging of single molecules

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Parabolic refractive X-ray lenses

B. Lengeler, B. Benner, M. Kuhlmann and C. G. Schroer

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Solid state detectors for present and future X-ray sources

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Diffuse scattering and Monte Carlo studies of relaxor ferroelectrics

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Order and disorder in lysozyme crystals caused by the phase transition

K. Harata and T. Akiba

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X-ray and neutron diffuse scattering by cation and anion deficient zirconia

I. Kaiser-Bischoff, F. Frey and H. Boysen

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Diffuse scattering study of 2D superstructure in a T' electron-doped cuprate superconductor

B. J. Campbell, S. Rosenkranz, P. J. Chupas, H. J. Kang, P. Dai, Y. Kurita, S. Komiya and Y. Ando

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Cooperative evolution: a new algorithm for refining disordered structures

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Application of symmetry to magnetism and its consequences for crystallography

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CrysFML: a library to develop crystallographic programs in Fortran 95. Powder diffraction examples

J. Rodríguez-Carvajal and J. González-Platas

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Acta Cryst. (2005). A61, c22-c23
doi: 10.1107/S0108767305099034