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  [FOCUS AREA [1]] [FOCUS AREA [2]] [FOCUS AREA [3]] [FOCUS AREA [4]] [FOCUS AREA [5]] [Oral Presentations on Posters]  


The meeting will include 50 microsymposia (each comprising four oral presentations) which are divided into five Focus Areas. There will be ten microsymposium sessions with five microsymposia (one from each Focus Area) running in parallel in each session.
Please note: The pattern of abstract submissions to the various microsymposia has lead to the merging of some microsymposia and the extension of others. The lists of speakers given below are incomplete and will be augmented as more information becomes available.
The five Focus areas are:
FOCUS AREA [1] Biological and Macromolecular Crystallography
FOCUS AREA [2] Materials and Minerals
FOCUS AREA [3] Experimental and Computational Techniques
FOCUS AREA [4] Chemical Crystallography
FOCUS AREA [5] Special Techniques

FOCUS AREA [1]: Biological and Macromolecular Crystallography  Chair
1 Crystallisation

Victor Bolanos-Garcia (U. Cambridge, UK)
"Controlling nucleation and coarsening (Ostwald ripening) during protein crystallization."
Lubica Urbanikova (Slovak Academy of Sciences, Bratislava, Slovak Republic)
"Crystallization of actin-binding domain of plectin and its isoforms"
Joe Ng (U. Alabama, Huntsville, USA)
"Ab initio crystallographic structure determination from protein to electron density without crystal manipulation."
Alina Castell (Uppsala U., Sweden)
"Crystallization of HIV-1 reverse transcriptase"
T Bergfors ()
T Unge ()
2 Synchrotron radiation and radiation damage

Zbigniew Dauter (Brookhaven National Laboratory, Upton, USA)
"Positively damaging synchrotron radiation."
Tsutomu Kouyama (Nagoya U. Chikusa, Nagoya / RIKEN Harima Institute, Kouto Mikazuki, Hyogo, Japan)
"Specific Damages Induced by X-ray Radiation and Structural Changes in the Proton Pumping Cycle of Bacteriorhodopsin."
Gunnar Berglund (Uppsala U., Sweden)
"Structural determination of reactive intermediates in the horseradish peroxidase reaction cycle."
Edward Mitchell (European Synchrotron Radiation Facility, Grenoble, France.)
"Houston: do we have a problem?"
E Garman ()
M Weik ()
3 Structure refinement and analysis

Roberto Steiner (U.York, UK)
"Maximum-likelihood macromolecular crystallographic refinement using fast-evaluated Fisher's information."
Christian Jelsch (Lab. Cristallisation & Modelisation Materiaux Mineraux & Biologiques. CNRS, France)
"Advanced Structure and Charge Density Refinement with Software MoPro."
Kristina Nilsson (U. Lund, Sweden)
"Quantum refinement: A method to determine protonation and oxidation states of metal sites in protein crystal structures."
Jozef Ševcík (Slovak Academy of Sciences, Bratislava, Slovak Republic)
"Crystal structure of a multifunctional actin binding domain of plectin."

G Murshudov ()
4 Atomic resolution

Andrea Schmidt (EMBL, Hamburg, Germany)
"Trypsin revisited: how ultra-high resolution structures explain molecular properties and catalysis."
Alberto Podjarny (IGBMC, Strasbourg, France)
"Native and MAD studies of Aldose Reductase at subatomic resolution."
Christian Jelsch (Lab. Cristallisation & Modelisation Materiaux Mineraux & Biologiques. CNRS France)
"The Ultrahigh Resolution Structure of a Novel Lysine 49 PLA2 from Agkistrodon acutus Venom."
C Jelsch ()
V Lamzin ()
5 Proton and electron transfer processes

Mike Jormakka (Imperial College, London, UK)
"Formate dehydrogenase-N-structure and electron transfer"
Ivana Kuta Smatanova ( Inst. Physical Biology USB CB & Inst. Landscape Ecology AS CR, Nove Hrady, Czech Republic)
"Crystallisation study of membrane protein complexes from Pisum sativum."
Vilmos Fülöp (U. Warwick, UK)
"Structure and kinetic properties of cytochrome cd1 nitrite reductase."
Pedro Matias (ITQB, Oeiras, Portugal)
"Sulphate respiration in Desulfovibrio bacteria: A brief crystallographic overview."
MA Carrondo ()
S Mc Sweeney ()
6 HIV / AIDS (Infectious diseases)

Eddy Arnold (Rutgers U., NJ, USA)
"Inhibitor conformational flexibility and positional variation are important for activity against drug-resistant virus: crystal structures of highly potent non-nucleoside inhibitors of HIV-1 reverse transcriptase."
Torsten Unge (U. Uppsala, Sweden)
"HIV-1 protease inhibitors - symmetric or asymmetric that's the question?"
Peter Kwong (NIH, MD, USA)
"Atomic-level investigations into the molecular trickery of the HIV-1 envelope."
Alexander Wlodawer (NCI, MD, USA)
"Cyanovirin-N - an Anti-HIV Protein with a New Twist."
A Wlodawer ()
T Sewell ()
7 Molecular recognition in molecules and large macromolecular complexes.

Rolf Hilgenfeld (U. Lübeck, Germany)
"Structural basis of (p)ppGpp metabolism and the stringent response: Cross-talk between opposing active sites in a bifunctional RelA/SpoT homolog."
Rita Berisio (Max-Planck Research Unit for Ribosomal Structure, Hamburg, Germany)
"Ribosomal crystallography: structural basis for protein synthesis inactivation and exit tunnel gating."
Zippi Shakked (Weizmann Inst. Israel)
"Gene Regulation: the importance of being flexible."
Florante Quiocho (Baylor Med Center, Texas, USA)
"Molecular Recognitions in Small (ABC-transport Protein Components) and Large (Virus) Protein Assembly."
A Yonath ()
C Kenyon ()
8 Enzyme catalysis

1. Enzyme mechanism
Gideon Davis (U. York, UK)
"Structural Enzymology of Glycoside Hydrolysis: back to the future."
Mats Sandgren (Uppsala U., Sweden)
"Crystal-complex structures of Humicola grisea Cel12A, Reveal how a Cellulose Chain is Bound in the 35 Å Long Substrate Binding Cleft, Occupying Binding Sites -4 to +2 of the Enzyme."
Simona Fermani (U. Bologna, Italy)
"Different catalytic efficiency of NADP- and NAD-dependent reactions of photosynthetic GAPDH from Spinacia oleracea: a crystallographic interpretation."
Kunchithapadam Swaminathan (National University of Singapore)
"Isomaltulose Synthase (PalI) of Klebsiella sp. LX3: Crystal Structure and Implication of Mechanism."
Annabelle Varot (U. York, UK)
"X-ray structure of the 6-phospho-beta-glucosidase from Thermotoga maritima at 2.5 angstrom."

2. Enzymes and disease
Kanchan Anand (U. Lübeck, Germany)
"Designing drugs for the treatment of SARS: Structural studies on coronavirus proteinases and their complexes with inhibitors."
Pedro Alzari (Institut Pasteur, Paris, France)
"The catalytic mechanism of trypanosomal trans-sialidases."
Chris Schofield (U. Oxford, UK)
"The Mechanism of the Hypoxic Response."
Annaleise Grummitt (U. Oxford, UK)
"Crystallographic Investigations into the Reaction Cycle of Isopenicillin N Synthase."
G Dodson ()
R Hilgenfeld ()
9 Transcription and translation

Ada Yonath (DESY, Hamburg, Germany & Weizmann Inst, Rehovot, Israel)
"New structural insights into translation on ribosomes."
Jens Nyborg (Aarhus U., Denmark)
"Eucaryotic initiation- and elongation factors."
Nenad Ban (ETH, Zürich, Switzerland)
"t-RNA like region of tmRNA in complex with SmpB."
N.H. Hopcroft (U. York, UK)
"Structural Studies of TRAP/RNA Interactions."
Jean-Paul Renaud (U. Strassbourg, France)
"Molecular basis for antagonism in the orphan nuclear receptor ERRγ."
A Liljas ()
J Nyborg ()

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FOCUS AREA [2]: Materials and Minerals  Chair
1 New developments in the field of aperiodic crystals

Ronan McGrath (U. Liverpool, UK)
"Quasicrystal surfaces: structure and use as templates for the formation of aperiodic nanoclusters and thin films."
Jaques Darriet (Institut de Chimie de la Matière Condensée de Bordeaux-CNRS, France)
"New families of oxides related to the 2H-hexagonal perovskite : The series A1+x(A'xB1-x)O3 (A = Sr, Ba ; A', B = d-transition metals) and (A'2O2-d)(AnBn-1O3n) (A, A' = Ca, Ba, La; B = d-transition metals)."
Markus Valkeapää (Göteborg U., Sweden)
"Single crystal growth and the structure determination of misfit layer oxide (TlSr2O3)(CoO2)."
Holger Klein (Laboratoire de Cristallographie, Grenoble, France)
"A TEM study of defects in the complex intermetallic x'-Al-Pd-Mn phase: dislocations and more."
G Chapuis ()
W Steurer ()
2 Advances in electron crystallography

Doug Dorset (CSR, ExxonMobil Research and Engineering Co., USA)
"Electron Crystallography of Zeolites - Possibilities and Pitfalls."
Ute Kolb (Johannes Gutenberg U., Mainz, Germany)
"Structure analysis of organic samples by electron diffraction combined with powder diffraction."
Holger Klein (Laboratoire de Cristallographie, Grenoble, France)
"Structure determination of a PbMnO2.75 phase by electron crystallography."
Atle Kverneland (Stavanger U. College, Norway)
"Structure solution of the hardening eta´- precipitate in Al-Zn-Mg alloys by the precession technique in electron diffraction."
U Kolb ()
C Kübel ()
4 Mineralogical Crystallography

Herta Effenberger (U. Wien, Austria)
"Tsumcorite and structurally related compounds."
Daniela Pinto (U. Bari, Italy)
"Structural investigations on natural Ag-free lillianite and galenobismutite sample. A comparative study."
Ping Liu (R&D Centre, Sandvik Materials Technology, Sandviken, Sweden)
"Crystallographic orientation relationship and phase identification in stainless steels."
Petra Simoncic (U. Bern, Switzerland)
"Domain structure in the zeolite mordenite."
T Balic-Zunic ()
E Tilmanns
5 Modular aspects of inorganic crystals - in memory of Boris B. Zvyagin

Elena Belokoneva (Lomonosov Moscow State U., Russia)
"Extended OD-theory (blocks, rods, layers) and modular aspects in inorganic crystal chemistry."
Hans Grimmer (ETHZ and PSI, Switzerland)
"The twin laws of tetragonal crystals that are compatible with Mallard's rule."
Giovanni Ferraris (U. Torino, Italy)
"Pseudo-symmetry, twinning and structural disorder in layer titanosilicates."
Stefano Merlino (Università di Pisa, Italy)
"Modular character of the phases in tobermorite group."
S Merlino ()
M Nespolo ()
6 From minerals to materials science

Juan Rodriguez-Carvajal (CEA/Saclay, France)
"Magnetic structure of mineral paramelaconite and related materials: a S=1/2 pyrochlore lattice."
Giuseppe Cruciani (U. Ferrara, Italy)
"Siting of transition metal ions in zeolites by XRD"
Susana Rios (U. Cambridge, UK)
"Microstructure of radiation-damaged zircon and its pressure dependence: evidence for nanovoids."
Mike Thackeray (Argonne National Laboratory, USA)
"From Gems to Lithium Battery Materials."
J Kreisel ()
E Scandale ()
7 Relaxor ferroelectric materials

Brahim Dkhil (Ecole Centrale Paris, France.)
"Average and local structures overview in relaxor ferroelectrics."
Philip Lightfoot (U. St Andrews, UK)
"Crystallography of SrBi2Ta2O9 and Related Materials."
Jens Kreisel (ENSP, Grenoble, France)
"The effect of high-pressure on relaxor ferroelectrics. An X-ray scattering investigation."
P Thomas ()

9 Crystallography in Africa

Karimat El-Sayed (Ain-Shams U., Cairo, Egypt)
"The Past, The Present, The Future Of Crystallography In Egypt."
Mostafa Radwan (Cairo U., Fayoum, Egypt)
"Egypt and Crystallography."
Nourredine Benali-Cherif (Mentouri Constantine U., Constantine, Algeria)
"Art and crystalline symmetry."
Kossi Napo (U. Lomé, Togo)
"Thin films of zinc oxide (ZnO) obtained by CBD method."
A Thalal ()
G. Kamau ()
10 Perovskites ancient and modern - in memory of Helen D Megaw

Mike Glazer (U. Oxford, UK)
"The scientific work of Helen D. Megaw."
Giovanni Ferraris (U. Torino, Italy)
"Perovskite-type modules - From Earth mantle to structure engineering."
Chris Howard (ANSTO, Menai, Australia)
"A Group Theoretical Approach to Perovskite Crystallography."
Peter Daniels (U. Bayreuth, Germany)
"Crystal structures in the perovskite related system AnBnO3n+2."
M Glazer ()
P Boucher ()

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FOCUS AREA [3]: Experimental and Computational Techniques  Chair
3 Grazing angle techniques

Petr Mikulik (Masaryk U., Brno, Czech Republic)
"Developments in diffuse X-ray reflectivity and small-angle scattering from rough multilayered structures."
Janos Major (MPI Stuttgart, Germany)
"Neutron reflectometry combined with spin echo momentum encoding."
Adrian Rennie (Uppsala U., Sweden and King's College London, U.K)
"Adsorption of Polymers and Surfactants to Polymer Substrates - a Neutron Reflection Study."
Svetlana Zheludeva (Russian Academy of Sciences, Moscow, Russia)
"X-ray total reflection fluorescence study of Langmuir monolayers on water surfaces."
J Daillant ()
G Fragneto ()
4 Automatic structure determination: Challenges for the future

David Watkin (U. Oxford, UK)
"We Have Taught Computers Crystallography - How Do We Teach Them Chemistry?"
Louis Farrugia (U. Glasgow, Scotland)
"The WinGX program system."
Simon Coles (U. Southampton, UK)
"Automation in service and high throughput crystallography: Towards the 'dark laboratory'."
Ton Spek (Utrecht U., The Netherlands)
"PLATON/SYSTEM-S, A Crystallographic Shell for Small Molecule Single Crystal Structure Determination and Refinement in either an Automatic or a Guided Mode."
AL Spek ()
D. Billing ()
5 Modern programming languages and techniques Can they lead to higher reliability and programmer productivity?

Juan Rodriguez-Carvajal (CEA/Saclay, France)
"CRYSFML: a crystallographic library in modern FORTRAN."
To be announced

Juergen Kopf (U. Hamburg, Germany)
"Control Program for Single Crystal Diffractometer: The Use of the QT C++ Class Library."
Kevin Cowtan (U. York, UK)
"C++/C/Python Crystallographic software development using the Clipper C++ libraries: An order-of-magnitude advance."
L Cranswick ()
J Dillen ()
6 Diffraction image processing and data quality

Zbigniew Dauter (Brookhaven National Laboratory, Upton, USA.)
"Criteria of diffraction data quality."
Jim Pflugrath (Rigaku/MSC, USA)
"d*TREK - Crystal Clear Data Acquisition and Processing for CCD and Imaging Plate Detectors for Macromolecules and Small Molecules."
Harry Powell (MRC-LMB, Cambridge, UK)
"Scusi - ho sbagliato il numero."
Rob Hooft (Bruker Nonius BV, Delft, The Netherlands.)
"Further developments in EVAL14: a ray-tracing approach to 2D diffraction image integration."
Ken Shankland (RAL, Chilton, UK)
"Optimising powder diffraction data quality for structure determination purposes."
E Dodson ()
S Parsons ()
7 Algorithms of the future

Thanassis Hountas (Agricultural U. Athens, Greece)
"A solution of the phase problem by means of Quantum Mechanics. A novel approach or a next step?"
Anders Markvardsen (RAL, Chilton, UK)
"A Hybrid Monte Carlo algorithm for structure solution from powder diffraction data."
Sinisa Prokic (ETH, Zurich, Switzerland)
"Expol: data analysis software for extracting more single-crystal-like intensities from data collected on a textured sample."
Niels Volkman (The Burnham Institute, La Jolla, CA, USA)
"Docking of atomic models into reconstructions from electron microscopy."
D Watkin ()
A Urzhumtsev ()
8 High resolution X-ray diffraction at new European SR sources

Wolfgang Eberhardt (SR source "BESSY-II", Germany)
"X-Ray Scattering and crystallography at BESSY; An Overview"
Michèle Sauvage - Simkin (Synchrotron Soleil, France)
"SOLEIL : a new 3rd generation source for competitive X-ray diffraction research."
Michail Kovalchuk (RAS, Institute of Crystallography, Moscow and RRC "Kurchatov Institute", Moscow, Russia)
"Possibilities of Kurchatov Synchrotron Radiation Source for high resolution x-ray diffraction study."
MV Kovalchuk ()
B Capelle ()
9 Crystallography at extreme conditions: recent results and new developments

Michele Catti (U. Milano Bicocca, Italy)
"On the mechanisms of the B1/B2 high-pressure phase transition: novel first-principles results."
Pierre Fertey (LCM3B and U. Nancy, France)
"In-situ diffraction from crystals under high electric fields: low quartz and isotypes"
Gregory Rozenberg (U. Tel-Aviv, Israel)
"High pressure Structural Transformations in RFeO3 perovskites related to magnetic phenomena"
Alexandros Lappas (IESL-FORTH, Greece)
"Pressure Influence on Structure-Property Relations of Ternary Metal Chalcogenides"
M. Catti ()
P. Fertey
10 Crystallisation techniques frontier

Danniella Stock (LMB Cambridge UK)
"Protein/Nucleic Acid Crystallisation Facilities at the LMB Cambridge."
Peter Kwong (NIH, USA)
"Enhancing protein crystallization through precipitant synergy."
Peter Nollert (DeCode, USA)
"Quick and Cheap: Rapid Preparation of Micro Crystallization Experiments using the Cubic Phase Method."
Lawrence DeLucas (CBSE 206, Birmingham, Alabama, USA.)
"Efficient Protein Crystallization."
N Chayen ()
H Einspahr ()

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FOCUS AREA [4]: Chemical Crystallography  Chair
1 Synergy of experiment and theory in studies of charge, spin and momentum densities

Claude Lecomte (LCM3B, CNRS and University of Nancy, France)
"Frontiers in Charge Density Studies."
Pierre Becker (Ecole Centrale Paris and CNRS, France)
"A Pseudo-Atomic Decomposition Of The First Order Density Matrix In Solids: Comibined Refinement Of Diffraction And Compton Experiments."
Santiago García-Granda (U. Oviedo, Spain)
"A procedure towards the automatic solution of crystal structures by means of topological analysis of Fourier maps."
Gideon Steyl (Rand Afrikaans U., Johannesburg, South Africa)
"Mechanistic Study Of Five Coordinated Vaska-Type Rhodium(I) Tropolonato Complexes."
Maciej Kubicki (Adam Mickiewicz U., Poznan, Poland)
"Experimental electron density of 1,2-dimethyl-4-nitro-5-morpholinoimidazole hydrate: the wide range of weak hydrogen bonds."
P Becker ()
C Gatti ()
2 Impact of charge and spin density studies on molecular sciences

Anne Spasojevic - de Biré (Ecole Centrale Paris, France)
"Charge density studies as an experimental tool for a better understanding of drug interactions."
Bartosz Zarychta (U. Opole, Poland)
"Charge density and topological properties of 1-nitroindoline."
Herbert Boller (U. Linz, Austria)
"Bond valences in complex (oxo)-thiometallates: some inferences on the chemical bonding."
Finn Krebs Larsen (U. Aarhus, Denmark)
"Charge density studies of polynuclear transition metal carboxylates using low temperature and high-enrgy synchrotron radiation."
FK Larsen ()
N Ghermani ()
3 Rooted in Nature compounds-chirality, absolute structure, absolute configuration

Jan Boeyens (U. Pretoria, South Africa)
"Chirality and Space-time Structure."
D. Bradley G. Williams (Rand Afrikaans U., South Africa)
"On The Importance of X-ray Crystallography for the Synthetic Chemist: Chirality and Structure."
Anita Coetzee (Bruker Nonius BV, Delft, The Netherlands)
"Knowing Your Left From Your Right: Considerations For Absolute Structure Determination Of Light Atom Structures."
Bill Duax (Hauptman-Woodward Institute & SUNY, Buffalo, NY, USA)
"Mechanism of Ion Transport and Gating In Gramicidin Nanotubes."
J Grochowski ()
T Auf der Heyde ()
4 Towards the unification of shared-proton interactions

Gastone Gilli and Luigi Nassimbeni (U. Ferrara, Italy, U. Cape Town, South Africa)
"Hydrogen Bonding as a Proton-Shared Interaction. An Overview"
Gautam Desiraju (U. Hyderabad, India)
"Bridges and bonds: The X-H···A interaction."
Ingeborg Csoeregh (Stockholm U., Sweden)
"Versatility of Hydrogen Bonding in Closely Related Crystalline Inclusion Complexes"
Paola Gilli (U. Ferrara, Italy)
"Discrimination Between Single-Well and Double-Well H-Bonds by Variable-Temperature X-Ray Crystallography in beta-Diketone Enol RAHB Systems"
G Gilli ()
L Nassimbeni ()
5 Molecular interactions at extreme conditions

Elena Boldyreva (SB RAS, Novosibirsk, Russia)
"Pressure - Induced Strain In Molecular Crystals And Intermolecular Interactions."
Andrzej Katrusiak (Adam Mickiewicz U., Poznan, Poland)
"On Compressibility Of Hydrogen-Bonded Crystals."
Simon Parsons (U. Edinburgh, Scotland)
"Molecules Under Pressure."
Nicole Pearson (U. Natal, Pietermaritzburg, South Africa)
"Structural And Physical Studies On Thiocyanate Complexes Of Iron(III) Porphyrins."
E Boldyreva ()
G Hearne ([email protected])
6 Inclusion compounds and intercalates: Structure and application

Luigi Nassimbeni (U. Cape Town, South Africa)
"Physico-chemical aspects of inclusion compounds."
Petra Bombicz (CRC, Hungary)
"Inclusion Compounds of p-tert-butylcalix[4]arene with Disordered Dioxane and Dioxalane."
Giovanni Ughetto (CNR, Italy)
"DNA intercalation of disaccharide anthracyclines: crystal structures of the complexes with the DNA hexamer d(CGATCG)."
Yurii Simonov (Academy of Sciences of Moldova)
"Supramolecular Networks in Binary Dithio-oxamide / Dithiobiurea - Crown Ether Compounds."
S Bourne ([email protected])
S Candeloro ()
7 Structure-properties relationship in molecular crystals

Session 1
Gerd Kaupp (U. Oldenburg, Germany)
"Solid-state reactions with molecular crystals."
Anna Meij (Rand Afrikaans U., Johannesburg, South Africa)
"Coordination Mode and Solution Properties of Pd(Ii) Phosphine Complexes."
Manuel Fernandes (U. Witwatersrand, Johannesburg, South Africa)
"Interrelationships between phase transformations and the solid-state photochemistry of o-ethoxy-trans-cinnamic acid."

Session 2
Fernando Lahoz (U. Zaragoza, Spain)
"Molecular Structural Design for Property Control in Transition Metal Complexes."
Gautam Desiraju (U. Hyderabad, India)
"Crystal design,structure and function."
Leonard Barbour (U. Stellenbosch, South Africa)
"Guest Diffusion in a Nonporous Organic Solid."
Krzysztof Wozniak (U. Warsaw, Poland)
"From Weak Interactions to Covalent Bonds: a Continuum in the Solid State."
C Wilson ()
DC Levendis ()
8 Core chemical crystallography

Angeles Monge (C.S.I.C., Madrid, Spain)
"Developing strategies to design organic-inorganic polymeric materials: From construction to properties."
William Clegg (U. Newcastle, UK)
"Supramolecular chemistry: the impact of modern crystallographic developments"
Davide Viterbo (U. del Piemonte Orientale, Alessandria, Italy)
"Validation of disordered crystal structures employing the periodic ab initio CRYSTAL code"
Marc Hostettler (U. Bern, Switzerland)
"Engineering a spin crossover compound - the solvent game"
F Lahoz ()
J Rutherford ()
9 From structural knowledge to chemical reactivity

Mike Hursthouse (U. Southampton, UK)
"High-Throughput Small Molecule Chemical Crystallography and GRID-enabled Structural Science."
Marek Kubicki (U. Burgundy, France)
"Cone angles of substituted cyclo-pentadienyl rings; influence on molecular structure and reactivity."
Helgard Raubenheimer (U. Stellenbosch, South Africa)
"The crystal structure's the thing."
Roland Boese (U. Essen, Germany)
"The Melting Point Alternation of n-Alkanes and Derivatives,- Still a Mystery?"
C Mealli ()
PH van Rooyen ()
10 Structural applications in coordination complexes / Structural applications in coordination chemistry

Session 1
Peter Comba (U. Heidelberg, Germany)
"Structure correlation in bispidine coordination compounds: Isomerism and tunable reactivity."
Gabor Laurenszcy (U. Lausanne, Switzerland)
"Catalytic activity in aqueous hydrogenation and solid state structure of some Ru- and Rh-phosphine complexes."
Stefanus Otto (SASOL, South Africa)
"X-Ray Crystallography as an Invaluable Tool for the Coordination Chemist."
Orde Munro (University of Natal, Pietermaritzburg, South Africa)
"X-Ray Structural and 103Rh NMR Studies on Novel Complexes of Rh(III) Porphyrins."

Session 2
Hilde Grove (Memorial U. Newfoundland, St. John's, Canada)
"Structural and Magnetic Properties of Polynuclear Copper and Cobalt Complexes with Tritopic Ligands."
Klaus Koch (U. Stellenbosch, South Africa)
"Complexity with simplicity: A Study of the interesting variety of modes of co-ordination of the deceptively simple N-alkyl-N'-aroyl/acyl-thioureas and N,N-dialkyl-N'-aroyl/acyl-thioureas"
Victor Kravtsov (Academy of Sciences of Moldova, Chisinau, Moldova)
"The p-p stacking interaction as an excellent tool in sustaining of solid-state architecture of the copper complexes."
Ola F. Wendt ( Lund U., Sweden)
"The trans influence in group 10 complexes - an old concept revisited."
A Roodt ()
P Comba ()

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FOCUS AREA [5]: Special Techniques  Chair
1 Powder diffraction in applied and industrial mineralogy

Ian Madsen (CSIRO, Australia)
"Powder Diffraction in the Mineral Processing Industries."
Reinhard Kleeberg (Freiberg U. of Mining and Technology ,Germany)
"Quantitative Phase Analysis of Complex Mineral Samples by the Rietveld Method."
Johannes Retief (SASOL Technology, South Africa.)
"The In Situ Reduction Of A Cobalt Catalyst On An Alumina Carrier."
Julius Schneider (U. München, Germany)
"Very high temperature X-ray powder diffraction in air."
J de Villiers ()
I Madsen ()
2 Fast diffraction - high energy and high throughput powder diffraction

Paul Barnes (Birkbeck College, London, UK)
"Exploiting intense radiation sources to study physical/chemical gradients within materials science systems."
Simone Techert (Max Planck Inst. Goettingen, Germany)
"Photo­induced transient structural changes in organic solids probed by time­resolved X­ray diffraction."
Chris Gilmore (U. Glasgow, UK)
"High throughput powder diffraction ­ The search for polymorphs and salts."
Harald Reichert (Max Planck Inst. Stuttgart, Germany)
"Structure refinement using time­resolved high energy diffuse x­ray scattering."
R Dinnebier ()
S Verryn ()
4 Structure determination from powder diffraction data

Christian Baerlocher (ETH, Zurich, Switzerland)
"Texture: An experimental approach to extract more reliable intensities from powder diffraction data."
Jonathan Wright (ESRF, Grenoble, France)
"Using anisotropic thermal expansion to improve intensity extraction from powder diffraction data."
Vincent Favre-Nicolin (CEA/DRFMC/SP2M, Grenoble, France)
"FOX: Improving Algorithms for Direct-Space Ab Initio Structure Determination from Powder Diffraction."
Céleste Reiss (PANalytical, The Netherlands)
"Structure Determination Of Two Organic Compounds From Laboratory X-Ray Data Collected With An RTMS Detector."
L McCusker ()
GJ Kruger ()
5 Joint powder diffraction and non-diffraction techniques

Jerzy Pielaszek (PAN, Warazawa, Poland)
"Combined in-situ XRD and impedance measurements of Li-Mn spinels at temperatures -25 to +100°C."
Helen Turner (U. Southampton, UK)
"Vibrational Circular Dichroism as a Complementary Technique to XRD for Absolute Stereochemistry Determination."
A Kishi (Rigaku Corp., Tokyo, Japan)
"Humidity controlled simultaneous instrument for XRD and Differential Scanning Calorimetry(XRD-DSC), and its latest application."
Michela Brunelli (ESRF, Grenoble, France)
"Combined powder diffraction, spectroscopy and DFT calculation to elucidate molecular crystal structures: three examples."
K Shankland ()
C Frampton ()
6 Polymorphism

Alajos Kálmán (CRC, Budapest, Hungary)
"Similarity between the polymorphism of 5-tert-butyl-2-hydroxycyclopentanecarboxylic acid and 2-hydroxycycloheptanecarboxylic acid."
Gert Kruger (Rand Afrikaans U., Johannesburg, South Africa)
"Polymorphism in the n-Alkylammonium Iodides."
Grazyna Wójcik (Wroclaw U. of Technology, Poland)
"Molecular Interactions and Dynamics in Two Polymorphs of m-Nitrophenol as Studied by Multi-Temperature X-Ray Diffraction."
Jose Montejo-Bernardo (U. Oviedo, Asturias, Spain)
"Monohydrate and Dihydrate polymorphs of azithromycin. Similarities and differences."
J Bernstein ()
M Caira ()
7 Use of synchrotron and neutron powder diffraction

Jeremy Cockroft (Birbeck College, London, UK)
"Recent Powder Diffraction Studies of the Applicability of the Rietveld Method to Protein Crystal Structure Refinement."
Jean-Louis Hodeau (CNRS Cristallographie, Grenoble, France)
"Contrast Method using Anomalous Scattering and/or Neutrons for Element Selective Powder Diffraction."
Helmut Ehrenberg (Tech. U. Darmstadt, Germany)
"Low-temperature structures of binary Zintl phases and magnetostructural correlations in Cu(W,Mo)O4: Combined synchrotron and neutron powder diffraction studies."
Thomas Hansen (Institut Laue-Langevin, Grenoble, France)
"Faster than seconds and deep into the earth's core with the high-intensity neutron powder diffractometer D20."

See also the Joint Extension Session with MS 9
A Hewat ()
A Fitch ()
8 Indexing powder diffraction patterns: Opportunity for new heuristic and global optimisation methods

Robin Shirley (U. Surrey, UK)
"Ab initio powder indexing of impure samples and mixtures using joint-probability-based heuristics"
Victor Zlokazov (Joint Institute for Nuclear Research, Dubna, Russia)
"AUTOX: ab initio indexing using genetic algorithms."
Armel Le Bail (U. Le Mans, France)
"McMaille v3: indexing via Monte Carlo search, matching against an idealised powder profile."
Frank Stowasser (Bruker AXS, Karlsruhe, Germany)
"A Monte Carlo approach to Indexing of powder diffraction patterns with least squares refinement applied in an iterative manner."
R Shirley ()
C Rademeyer ()
9 Time resolved spectroscopy

Eric Collet (U. Rennes, France)
"Probing Photoinduced Phase Transition With 100 Picosecond X-Ray Diffraction."
Savo Bratos (U. Paris, France)
"Time-Resolved X-Ray Diffraction And Absorption: Statistical Theories And Their Application."
Jacqueline Cole (U. Cambridge, UK)
"Photocrystallography: developing methodologies to better understand photonic materials."
Davide Boschetto (LOA, Palaiseau, France)
"Femtosecond X-ray diffraction applications to optical phonon study near sub-picosecond melting threshold"

See also the Joint Extension Session with MS 7
A. Rousse ()
S. Techert ()


Joint Extension Session

Use of synchrotron and neutron powder diffraction

Ralph Gilles (Technische U. München & Technische U. Darmstadt, Germany)
"Features and first test measurements of single components from the New Structure Powder Diffractometer (SPODI)."
Pekka Suortti (U. Helsinki, Finland)
"Dynamical and kinematical diffraction at high photon energies."

Time resolved spectroscopy

Marius Schmidt (München U., Germany)
"Protein Kinetic: Structures and Mechanism from Time-Resolved Crystallography"
Dominique Bourgeois (ESRF, Grenoble, France)
"Catching transient species in protein crystals: from low temperature trapping to real-time movies."

A Hewat ()
A Fitch ()

A. Rousse ()
S. Techert ()

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SELECTED Oral presentations on posters  Chair
1 D.G. Billing (U. Witwatersrand, Johannesburg, South Africa)
"Crystal chemistry of organic-inorganic hybrids: (CnH2n+1NH3)2 PbI4 (n = 4,5,6,7,8,9,10)."
T. le Roex (U. Cape Town, South Africa)
"Structure and kinetic reactivity of a diol host compound."
A.N. Westra (U.Stellenbosch, South Africa)
"First-reported Pt(IV) complexes with S,O-coordinating monopodal and bipodal thiourea ligands."
R. Meijboom (U. Cape Town, South Africa)
"Lithiated dendrimers."
P. Franklyn (U. Witwatersrand, Johannesburg, South Africa)
"Utilisation of Powder XRD for Nanocrystalline Solid-state Studies."
Clive Oliver (U. Cape Town, South Africa)
"Inclusion of the bronchodilator tulobuterol in native and methylated cyclodextrins."
M. Haumann (Rand Afrikaans U., Johannesburg, South Africa)
"Ligand modified cobalt carbonyl complexes as hydro-formylation catalysts."
S. Otto
A. Roodt
2 Carlotta Conesa-Moratilla (Accelrys Ltd. UK)
"X-Cell: a novel algorithm for powder indexing."
Gert Kruger (U. Natal, Durban)
"Ab initio Mechanistic study of Wurtz reactions on Halo-Adamantane."
Soheir El-Derby (U. Heidelberg, Germany)
"Dimorphism & new inclusion compounds of 2,4,6-Tris(Iso-propylamino)-1,3,5-Trinitrobenzene: energetic & structural influence of intermolecular Interactions upon the resulting structure."
Thishana Singh (Durban Inst. Tech, South Africa)
"Computational study of penta-cyclo undecane (PCU) cage lactam formation."
Marion Kerscher (U. Heidelberg, Germany)
"Trapped structures of distorsional isomers of hexacoordinate copper(II) complexes."
H.G. Kruger
O. Munro

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