ECM23_posters

23rd

European
Crystallographic
Meeting

August 6 to 11, 2006 - Leuven | Belgium

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ORGANIZING SECRETARIAT Momentum Grensstraat 8 B-3010 Leuven - Belgium Phone +32 16 40 45 55 Fax +32 16 40 35 51 E-mail info@momentum-pco.be
Last updated: February 7th, 2007

POSTERS Two posters sessions are scheduled during the congress. Poster sessions are scheduled daily between 15h30 and 17h00. Poster session 1 will be held on Monday, August 7th and Tuesday, August 8th. Posters belonging to following microsymposia will be on display: MS: 1, 2, 3, 7, 8, 9 (1st part), 12, 13 (1st part), 14, 15, 16, 17, 18, 19, 21, 22, 28, 29, 32, 33, 35, 36, 41 (1st part), 42 (1st part), 43, 44, 45, 46, 47. Authors of posters are kindly requested to stay at their poster for discussion either on 7th (odd poster numbers) or on August 8th (even numbers). Poster session 2 will be held On Wednesday August 9th and Thursday August 10th. Posters belonging to following microsymposia will be on display: MS: 4, 5, 6, 9 (2nd part), 10, 11, 13 (2nd part), 20, 23, 24, 25, 26, 27, 30, 31, 34, 37, 38, 39, 40, 41 (2nd part), 42 (2nd part). Below is a table with all accepted posters, ordered per microsymposium. In the right column you will find the number of the posters session during which it will be on dsiplay. Click on the title to visualize the abstract. New! IUCr Poster Prize: click here for more information Oxford Cryosystems Poster Prize: click here for more information The abstracts of all the presentations have been electronically published now as an online supplement of Acta Crystallographica (Volume A62) accessible through the Crystallographic Journals online - http://journals.iucr.org. They are no longer available from this site. To search abstracts on the IUCr site: 1) Click on 'Back issues' of the first item 'Foundations of Crystallography Online' 2) Choose 'Volume A62 (2006) and click on the last item 'Volume A62, Part a1 (pp. s1-s311) Abstracts of the 23rd European Crystallography Meeting, Leuven, Belgium, August 2006'. All abstracts are ordered as in the meeting abstract book. OR: you can use the 'Search' engine and look up by author name, keywords, affiliation.

MS N°	Author - title	Poster session
MS1	m01.p01 Higashiura Refinement of Taka-amylase crystallized in microgravity environment at 1.0Å resolution m01.p02 Miedaner Trapping and mobility of soluble and insoluble impurities in ice monitored via Cryo-Synchrotron-Tomography m01.p03 Piskunova Direct Observation of Elementary Processes of Crystal Growth m01.p04 Sánchez- Pastor Crystal growth and replacement processes in the Ba-Sr-SO4-CO3-H2O system m01.p05 Tanaka Controlling Diffusion in Gel-Tube Method 1 m01.p06 Tomcová Crystallographic and X-ray diffraction analysis of metalloenzymes from purple sulphur bacterium m01.p07 Vanhee TIM: a model protein for the study of crystal growth in space and gels m01.p08 Willaert Design and construction of a microfluidic device for studying protein nucleation and crystallisation	1
MS2	m02.p01 Esnouf A distributed web-based system for the management of high-throughput crystallization trials at the Oxford Protein Production Facility m02.p02 Gottschlich New Developments for Automated Protein Crystallization in Microplates m02.p03 Mallett Increasing Crystallization Trials Productivity through Imaging Automation m02.p04 Pérez-Priede Machine Learning Strategies for Protein Crystallization m02.p05 Pothineni Image Analysis for Monitoring Crystal Growth	1
MS3	m03.p01 Hasegawa Installation of mail-in system at SPring-8 protein crystallography beamlines m03.p02 McAuley The Macromolecular Crystallography Beamlines for Phase 1 at Diamond m03.p03 Vagin Complete automation of molecular replacement m03.p04 Venkataraman Remote services for model building in macromolecular crystallography m03.p05 Winter DNA & e-HTPX: High Throughput and Remote Access Protein Crystallography m03.p06 Yang Towards Data Management for PX Structure Determination With CCP4	1
MS4	m04.p01 Gan Crosslinking of DNA duplexes: a novel binding mode by bisacridine derivatives m04.p02 Kondo Crystal structures of Homo sapiens cytoplasmic A site with and without the antibiotic apramycin m04.p03 Schneider Conformational variability of DNA and comparison to RNA m04.p04 Shimizu Crystal structures of d(CGAA) and d(CGAAGC): Parallel-stranded duplexes and their dimer m04.p05 Van Hecke Incorporation of a Disaccharide Nucleoside into the Backbone of Double Stranded DNA: Crystallization and Preliminary X-Ray Diffraction	2
MS5	m05.p01 Guillot Advances in charge density studies of ultra high resolution protein structures 2	2
MS6	m06.p01 Brandt Structural studies on collagen binding integrin alphaI domains m06.p02 Dewilde Elucidation of the molecular interaction mechanism between PAI-1 and a PAI-1 inhibiting antibody fragment Fab-55F4C12 m06.p03 Elias Associations between Human Paraoxonase and Human Phosphate Binding Protein m06.p04 Finet New insights into the quaternary structure of small Heat Shock Proteins under stress investigated by Small Angle X-ray Scattering m06.p05 Hofmann High-salt Peridinin-Chlorophyll-Protein from A.carterae: The Structure of the Monomeric Antenna Protein Complex m06.p06 Huether The three dimensional structure of polycystin 1, gene expression from alternate coding frames in pkd1 and autoimmunity m06.p07 Juan Two different lipoamide dehydrogenases (E3s) from Thermus thermophilus: Crystal structures and their evolutionary relationship m06.p08 Massant The arginine repressor of the hyperthermophile Thermotoga neapolitana: crystallization and preliminary x-ray diffraction analysis m06.p09 Najmudin Structure and function of PKD-CBM44 and CBM30 modules of the bifunctional Clostridium thermocellum cellulase, CtCel9D-Cel44A m06.p10 Nicolet Towards Atomic Detail of Intermediate Filament Structure m06.p11 Smeets Possible interactions between human mitochondrial thioredoxin 2 and human peroxiredoxin 5 m06.p12 Strelkov Structural Insight into Intermediate Filament Assembly Using Small-Angle X-ray Scattering m06.p13 Streltsov Structure of the Insulin Receptor Ectodomain Homodimer m06.p14 Viitanen Structural studies on sterol carrier protein-2 from plants	2
MS7	m07.p01 Cuypers The crystal structure of the Dps-2 from Deinococcus radiodurans m07.p02 Heras Disulfide Formation in Gram Positive Bacteria: Structure of a Redox Catalyst m07.p03 Lawrence S. solfataricus DPS-like Protein Contains a Ferritin-Like Di-Iron Binding Site m07.p04 Peeters Crystallization and preliminary X-ray diffraction analysis of the C-terminal domain of an archaeal transcription regulator m07.p05 Yoon Structure of UDP-N-Acetylglucosamine Enolpyruvyl Transferase from Haemophilus influenzae in Complex with UDP-N-Acetylglucosamine and Fosfomycin : X-ray Crystal Analysis & Docking Study	1
MS8	m08.p01 Johanning Structure Analysis of Light Harvesting Complexes from the Dinoflagellate Amphidinium carterae m08.p02 Kuta Smatanova Toward the getting of photosystem II core complex crystals from Pisum sativum m08.p03 Stachnik Coupling of electron transfer and proton uptake in the reaction center mutant L210DN of Rhodobacter sphaeroides m08.p04 Szczesio Asymmetric distribution of cations binding sites in high resolution crystal structures of double-stranded gramicidin D complex with Na+ and K+	1
MS9	m09.p01 Bielak Inhibitory Complexes of N10-formyltetrahydrofolate Synthetase Indicate Negative Cooperativity between Subunits m09.p02 Bott Structure of a novel acyltransferase m09.p03 Bunkóczi Structure and function of human PPTase: implications from ternary complexes m09.p04 de Ruyck Structure of Thermus thermophilus type 2 Isopentenyl Diphosphate Isomerase inferred from crystallography and molecular dynamics m09.p05 Fermani Merging crystallography, site-directed mutagenesis and molecular modelling to unravel the regulatory mechanism of photosynthetic GAPDH m09.p06 Fyfe Structure of Pteridine Reductase (PTR1) from Trypanosoma bruce m09.p07 Grochulski X-Ray Structure of a Bound Phosphonate Transition State Analog and Enantioselectivity of Candida rugosa lipase toward Chiral Carboxylic Acids m09.p08 Hagelüken SdsA1 from P. aeruginosa, defines a new mechanistic class of sulfatases m09.p09 Jaskolski Structure and mode of action of chagasin, a protease inhibitor from T. cruzi m09.p10 Kerff Structure of the class D beta-lactamase OXA-29, a different carbonated dimer m09.p11 Lammens Fructan 1-Exohydrolase IIa from Cichorium intybus in complex with ligands	1
MS9	m09.p12 Michalska Crystal structure of plant asparaginase m09.p13 Mikami X-ray crystallographic analysis of type I pullulanases from Klebsiella pneumoniae and Bacillus subtilis m09.p14 Miyahara Three-Dimensional Structure of Rat-Liver Acyl-CoA Oxidase in Complex with Fatty Acid m09.p15 Nagarajan Structural analysis of the Plasmodium falciparum cysteine protease falcipain-2 m09.p16 Rigolet Towards a functional mapping of the BLM helicase m09.p17 Simpson Crystal structures of two aldo-keto reductase enzymes from Arabidopsis thaliana m09.p18 Vandermarliere A Glycosyl Hydrolase Family 11 Xylanase With An Extended Thumb Region m09.p19 Versees New catalytic strategies for leaving group activation in nucleoside hydrolases m09.p20 Wahl Tailor Made Activation Segment for Autoinhibition m09.p21 Wojtkowiak Crystallographic studies of 1,3-ß glucanase from potato	2
MS10	m10.p01 Dhaliwal Cost, space, time: What are the limits for publishable structures? m10.p02 Kocharyan X-ray diffraction in single crystals under the influence of temperature gradient m10.p03 Kotnik DHS1100 - A new high temperature attachment for 4-circle X-ray goniometers m10.p04 Lebedinsky Growth of CsI(Tl) Scintillation Film m10.p05 Pareek Atomic structure of fluorapatite (100) water interface: A Grazing Incidence X-ray Diffraction (GIXRD) study m10.p06 Pelliccia Lithium Fluoride film detectors for hard x-ray contact microscopy at high spatial resolution m10.p07 Schierbeek First Results of Åxiom 200, a High-speed, Photon-counting X-Ray Area Detector	2
MS11	m11.p01 Bolognesi Structure of a group III truncated hemoglobin from Camphylobacter jejuni m11.p02 Calderone Structural and functional characterization of two new class D beta-lactamases: OXA-46 and OXA-48 m11.p03 Rucktooa Structural studies of the B. pertussis extracytoplasmic solute receptor DctP7 m11.p04 Sauvage The penicillin-binding proteins of class C1	2
MS12	m12.p01 Croce Structural characterization of bioactive glasses m12.p02 Mishnev X-Ray Line Profile Analysis of Nanostructured Oxytocin m12.p03 Sleutel Molecular resolution imaging of growing Triosephosphate isomerase crystals	1
MS13	m13.p01 Bachechia Aurophilic interactions in polynuclear Au(I) complexes with phosphine ligands containing imidazole rings m13.p02 Bathori Non crystallographic rotations observed between four o-halogen substituted tris-phenoxy-1,3,5-triazine derivatives m13.p03 Becker Dynamic charge density, a simple approach to chemical reaction mechanism m13.p04 Benguedouar Hydrogen bonding in an organic-inorganic hybrid compound m13.p05 Besbes-Hentati First electrosynthesis and structural characterization of an aryl ether trimer m13.p06 Borowiak Supramolecular structures of thymine derivatives m13.p07 Bouacida Conformation angles and hydrogen bond in DL-Phenylglycinium chloride m13.p08 Cameron Investigation of I…S interactions by Charge Density Studies m13.p09 D'Oria The nature of the C-H···F interaction found in molecular crystals evaluated by ab initio calculations m13.p10 Duax Folding, Cofactor Binding, Catalysis, Oligomerization and Function of 13000 Short Chain Oxidoreductase Enzymes m13.p11 Englert Structural studies of chiral resolution m13.p12 Fabian Close packing vs specific interactions: para-disubstituted benzene derivatives m13.p13 Gilli Pi-Bond Cooperativity and Anticooperativity Effects in Resonance-Assisted Hydrogen Bonds (RAHBs) m13.p14 Gorfman X-ray diffraction study of chemical bonds under external electric field m13.p15 Grineva Comparison of Crystal Structures Formed by Similar Molecules with Different Functional Groups m13.p16 Hall Structural Studies of Thioredoxins and Associated Inhibitor Based Complexes m13.p17 Hammer Simulation of the absorption of acetone on ice at surfaces, bulk ice and small-angle grain boundary m13.p18 Hooley Ligand Complexes of von Willebrand Factor Domain A1 m13.p19 Moors Tryptophan Rotamers as evidenced by X-ray, Fluerenscence and Molecular Dynamics	1
MS13	m13.p20 Özbey C - HoooF , N / C - HoooS and C - Hooopi interactions in 5-fluoro-1H-indole-2,3-dione-3-thiosemicarbazones m13.p21 Kazak N,N-Bis(2-hdroxybenzylidene)phenylen-1,2-diamine m13.p22 Kendrick Molecular Modelling of Hydrogen Bonding in Urea and Dimethyl Urea m13.p23 Kurpiewska Structural insight into protein stability - bovine pancreatic ribonuclease A variants studies m13.p24 Maletta Macrophagic Metalloelastase (MMP-12): determinants of ligand binding m13.p25 Parkin dSNAP: Applications of cluster analysis to real chemical and structural problems m13.p26 Plutecka Factors controlling the helicity and stacking of N-(1,8-naphthaloyl)-2-aminobenzoic acid esters: interplay between weak hydrogen bonds, p-p stacking and dipolar interactions m13.p27 Ponnusamy Structure of non-structural protein 9 of human coronavirus 229E m13.p28 Popov A-type Amylose single crystals: unit cell refinement from synchrotron radiation microdiffraction data m13.p29 Rademeyer Non-covalent interactions in 2-phenylethylammonium perhalometallates m13.p30 Schneider Crystal structure of the bacterial protein HemS in complex with haem m13.p31 Schwalbe Hydrogen bonded hexagonal rings: effect on molecular geometry m13.p32 Wójcik X-ray diffraction and quantum chemical studies of interactions in polymorphs m13.p33 Wolf Explaining the Packing of Tetrahedral Molecules m13.p34 Wollert Structure-based re-engineering of InlA - an invasin of Listeria monocytogenes	2
MS14	m14p01 Christensen Modulations in AlB2-type Rare Earth Germanides and Silicides m14p02 Evain (3+2)-dimensional superspace approach of the structure of lévyclaudite-(Sb), a member of the cylindrite-type minerals m14p03 Guiblin The organic modulated structure of 3,4-diphenyl-2a,5a,6,7,8,8a,8b-heptahydro-furo[4,3,2-de]chromen-2-one m14p04 Kocian An alternative approach for the description of modulated structures using differential geometry m14p05 Nishi 2T and 4T Polytypes of Ca(Gex, Si1-x)O3 Wollastonite m14p06 Perez-Mato Apparently complex high-pressure phases of some elements as simple modulated structures m14p07 Schmidt Quantitative explanation for the stacking disorder in tris(bicyclo[2.2.1]hexeno)benzene m14p08 Thar Neutron structure investigation of Ca2Y2Cu5O10 m14p09 Warczewski On the symmetry of magnetic structures in terms of the fibre bundles m14p10 Woike The modulated structure of the holographic data stoage material SrxBa1-xNb2O6 investigated by neutron and x-ray diffraction	1
MS15	m15.p01 Weirich Arteriosclerotic Aorta Calcifications characterized by TEM and Electron Crystallography m15.p02 Weirich Structure of CsxNb2.54W2.46O14 determined by exit wave reconstruction	1
MS17	m17.p01 Karakhanyan On distortion of Kikuchi lines	1
MS18	m18.p01 Kotulanova Powder X-ray microdiffraction in research of wall painting damage by salts m18.p02 Thalal Moroccan geometric patterns	1
MS19	m19.p01 Ben Yahia KMnVO4 and Na3MnV2O7.5: New oxygen-deficient perovskite type structures m19.p02 Bindi Superionic phase-transitions in the minerals of the pearceite-polybasite group m19.p03 Bismayer Transition of laser-treated dental enamel m19.p04 du Plessis Iron carbide phase transitions during High-Temperature Fischer-Tropsch m19.p05 Gagor Cu+ ordering in Cu6PS5I and Cu6PSe5I ionic conductors m19.p06 Garin Quantitative detection of intermediate phases in welds of Fe-Cr-Ni-C alloys m19.p07 Golubev Nanostructured ordering in natural fullerene-like carbon m19.p08 Hatert The transition from alluaudite- to wyllieite-type phosphates: which is the role really played by aluminium? m19.p09 Ilyasov Structure and the phase transitions of some crystals in system Fe-WC-Me after discrete plasma influence m19.p10 Kudrenko Structural aspects of solid state amorphization in single crystalline samples of Eu2(MoO4)3 m19.p11 Marmeggi Phonon softening in alpha-u metal at low temperature m19.p12 Mihailova Chemically-induced renormalization phenomena in relaxor-ferroelectric PbSc0.5Ta0.5O3 m19.p13 Ohshima Secondary ordering in ternary alloy CuMnPt6 m19.p14 Pasciak Interpretation of diffuse scattering in Pb(Sc1/2Ta1/2)O3 via Monte Carlo simulation m19.p15 Pischedda Pressure effects on maghemite (?-Fe2O3) with an ordered vacancy sub-lattice m19.p16 Rios Observation of the second percolation threshold during recrystallization in amorphous pyrochlore m19.p17 Shakhtshneider Effect of hydrostatic pressure up to 6 GPa on the crystal structures of ammonium and sodium hexafluorosilicates, (NH4)2SiF6 and Na2SiF6 a phase transition in (NH4)2SiF6 at 0.2-0.3 GPa m19.p18 Sparta Low temperature phase transition in BaCuSi2O6 m19.p19 Wolska X-ray and neutron diffraction studies on cation distribution in the LiMn2O4/LiFe5O8 spinel solid solutions	1
MS20	m20.p01 Baburin Modified Voronoi approach to the analysis of crystal structures: binary intermetallics m20.p02 Ben-Abraham Intermediate quasiperiodic-periodic structures m20.p03 Bezrodna Polydisperse TiO2 particles with metal-modified surface: XRD and AFM studies m20.p04 Borrmann High-resolution X-ray Diffraction to elucidate Homogeneity Ranges in Intermetallics m20.p05 Capitani Refinement of the crystal structure of a terrestrial 6H-SiC m20.p06 Engel Structure systematics in K-Co-Mo-O compounds m20.p07 Gobechiya Crystal Chemical Features of Na2FeTi(??4)3 and Rb2FeTi(??4)3 Orthophosphates with NZP Structure Type m20.p08 Oeckler Real structure investigations on oxonitridosilicates MSi2O2N2 (M = Ca, Sr, Ba, Eu) m20.p09 Peskov Crystallochemical analysis of inorganic salts with pyramidal anions My(LO3)z (L = S, Se, Te, Cl, Br, I) m20.p10 Röhr Mixed trielides A^IIM^III_2 (A^II=Ca,Sr,Ba M^III=Al,Ga,In): A structural chemical and theoretical study m20.p11 Rondeux Solid State synthesis and crystal chemistry of new fillowite-type phosphates m20.p12 Siidra Pb31O22Br10Cl8 - the new lead-oxyhalide compound with the most complex tetrahedral structure m20.p13 Zubkova Crystal structures and topology of two modifications of holtite	2
MS21	m21.p01 Fleurant Radiation-induced debromination monitored by polarized X-ray absorption spectroscopy m21.p02 Servaes A comparative UV-Vis and EXAFS investigation of the coordination of the uranyl ion UO22+ in solution m21.p03 Van Deun EXAFS study of the phosphodiester bond cleavage by Mo-containing polyoxometallates	1
MS22	m22.p01 Blanco-García X-ray diffraction techniques applied to prospection of fluvial aggregates m22.p02 Bornefeld Examinations of the structure of highly polymerized alkali containing C-S-H phases m22.p03 Garbev An unusual phase transition Ca2[SiO3(OH)](OH) - Ca6[Si2O7][SiO4](OH)2 (dellaite) as revealed by single crystal IR and X-ray powder diffraction m22.p04 Gasharova Raman and IR spectroscopic study of nano-crystalline calcium silicate hydrates of type C-S-H(I) m22.p05 Kotova Radiospectroscopy of vein quartz of the subpolar ural deposits m22.p06 Liu Quantitative Analysis of Multi-Phase Steels of Ferrite and Austenite m22.p07 Mertens Use of quantitative X-ray diffraction for academic and industrial applications m22.p08 Mousser X ray and scanning electronic microscopy study of the thermal treatment influences on morphology and mineral composition of Algerian kieselguhr m22.p09 Pajdzik Three-dimensional Examination of Birefringent Materials Using a New Optical Technique m22.p10 Pöllmann Synthesis, Characterization and properties of alcali and earth-alcalisulfonates m22.p11 Stöber The Crystal Structure of Manganese modified Brownmillerite Solid Solutions	1
MS23	m23.p01 Ochrombel Dynamic method for measurement of piezoelectric coefficients m23.p02 Schiltz Polarized Resonant Scattering in Macromolecular Crystallograp	2
MS24	m24.p01 Baumbach Synchrotron-Radiation Computed Laminography - A New Method for the Three-Dimensional Imaging of Flat Objects	2
MS26	m26.p01 Alekseeva Crystal Structure of Zr-doped KTiOPO4 crystals at 293 and 105 K temperatures m26.p02 Arima Structural and Compositional Study by SFM of the Crystal Surfaces of Halogen-Bonded Hybrid Materials Containing Long-Chain Perfluorocarbons m26.p03 Blatova Analysis of solid conductors by means of Voronoi-Dirichlet partition m26.p04 Brüning Mesoionic fluorescent organic yellow pigment m26.p05 Çaliskan 4-Bromo-2-{[4-(3-metistyl-3-methyl-cyclobutyl)thiazol-2-yl]hydrazono-methyl}phenol, with N-H···N, C-H···pi and pi···pi interactions] m26.p06 Christensen New open-framework germanates with different types of inorganic molecular clusters m26.p07 Dobrynin Novel propeller-like phosphorus containing compounds m26.p08 Dobrzanska The Phenomenon of Dynamic Cooperativity in the Solid State m26.p09 Krawczuk Recognition of structural helices responsible for optical activity of selected urea adducts m26.p10 Metrangolo Halogen Bonding-Based Crystal Engineering: From Borromean Links to Homochiral Double Helices m26.p11 Pietraszko Diffuse scattering and local structure in distorted perovskite crystal Na0.5Bi0.5TiO3 m26.p12 Ramajo-Escalera Synthesis and Crystal Structure of Layered Zinc Phosphates: Accurate Hydrogen bonding in (NH4)Zn2(PO4)(HPO4) m26.p13 Simonov Molecular Complexes of Homologous Alkanedicarboxylic Acids and D-Tartaric acid with Isoniazid m26.p14 Yuge Tunable Organic Clay Mimic Structures with Di(Primary Ammonium) Dicarboxylates	2
MS27	m27.p01 Bombicz Isostructurality of co-crystals of an esther substituted dinitro calixarene host m27.p02 Boldyreva Monoclinic and tetragonal polymorphs of the sulfathiazole (1:1) adduct with pyridine m27.p03 Ibragimov Further development of the general rule on correlation between host-guest ratio and topology of polymorphic inclusion compounds and their crystallization temperatures m27.p04 Rychlewska New Class of Chiral, Inclusion Forming Crystals with Host Molecules Derived from trans-1,2- Diaminocyclohexane m27.p05 Semeniuk A new salt of halofantrine	2
MS28	m28.p01 Benmerad Nanotubular Cyclodextrin Dimers m28.p02 Duarte Molecular conformation and crystal packing studies on h3-h5 Ni complexes of N-heterocyclic carbenes m28.p03 Ferreira da Silva Supramolecular arrangements of titanium dichloride ketimide complexes with Cp type ligands m28.p04 Jacobs Supramolecular cocrystallisation : a new paradigm for the organic solid state m28.p05 Kovaleva Supermolecular Constitution of Natural Organic Minerals m28.p06 le Roex Gas Storage by Inclusion Compounds m28.p07 Sanchez Ballester Supramolecular chemistry of pyridine- and pyrazine-carboxylic acids with Cu (I) m28.p08 Schwarzer Structural Study of a Designed Series of Compounds Featuring Rigid Molecular Geometry and Specific Fluorine Substitution m28.p09 Su Inclusion Properties of Quinolines by a Diol Host Compound m28.p10 Suwinska Self assembly of palladium complexes of azacalix[4]arenes m28.p11 Talis The Constructions of Algebraic Geometry and Symmetry Laws of Gas Hydrate Structure m28.p12 Turgunov Crystal engineering with tri-cyclic quinazoline derivatives	1
MS29	m29.p01 Cooper Crystal structure prediction of the series of a-amino acids m29.p02 Cruz-Cabeza Importance of molecular shape in the overall stability of hydrogen bond motifs in the crystal structures of various carbamazepine type drugs m29.p03 Germaneau Monte-Carlo simulation of the incommensurate structure of p-Azoxyphenetol m29.p04 Gourlay Recent Advances in Crystal Structure Prediction: The Prediction of Enantiopure Separation	1
MS30	m30.p01 Baerlocher Ab initio structure solution from powder diffraction data using charge flipping m30.p02 Barsky Studies of Two Polymorphic Systems: 2-Chloro-4-nitrobenzoic Acid and (2-Furyl) oxoacetamide m30.p03 Camus Extracting structural information from protein powder diffraction data m30.p04 Eggonopoulos-Papadopoulos Crystallographic study and comparisons of compounds A2Sr2B2C2OX m30.p05 Elerman Effects of alloying on magnetocaloric characteristics of Gd5(Si2Ge2) m30.p06 El-Sayed Structural Investigation of Amorphous Li2O-WO3-B2O3 Glass m30.p07 Guguta The Crystal Structure of Aspartame Anhydrate from Powder Diffraction Data m30.p08 Jenner Protein powder diffraction at cryocooled conditions m30.p09 Maniukiewicz X-ray Powder Diffraction Study of Hydrogel Chitosan Membrans m30.p10 Massüger Using Preferred Orientation to Resolve Overlapping Reflections m30.p11 Schmid Structures of defect perovskites in the SrO - ZrO2 - Nb2O5 system m30.p12 Schmitt Triangular Copper(II) TPPZ Supra-Molecular Species: Anion Encapsulation m30.p13 Sereda New 1D, 2D and 3D chiral MOF's based on cyclohexane-1,2-diamine m30.p14 Többens Atomic and domain structure of the low temperature phase of barium metagermanate m30.p15 Wishkerman Polymorphism in 4-methoxy-3-nitrobenzaldehyde	2
MS31	m31.p01 Mechiakh Analysis of structural eletrical and optical properties of Sol-Gel titanium oxide (TiO2) thin films m31.p02 te Nijenhuis Preferred orientation studies on nanomaterials m31.p03 Tsybulya Nanostructure and peculiarities of X-ray powder diffraction patterns of low temperature Al2O3 polymorphs	2
MS32	m32.p01 Andrejašic PURY: A General Parameter Set Generator for Geometry of Macromolecular Structures m32.p02 Burla Patterson Deconvulution and SAD phasing in IL MILIONE m32.p03 Cascarano IL MILIONE: a new suite for crystal structure solution m32.p04 Kelley Ligand Pose Analysis using Fourier "Difference or Difference" Analysis m32.p05 Pavelcik Automatic building of nucleic acids structures m32.p06 Remacle Recent developments in version 6.0 of the CCP4 crystallographic program suite m32.p07 Urzhumtsev Low resolution ab initio phasing of Sarcocystis muris lectin SML-2	1
MS33	m33.p01 Baysen Investigating the molecular formation properties of ethyl 4-(2-oxybenzothiazolin-3-yl) butanoate using pm3, am1, mndo methods m33.p02 Bürgi Order and Disorder in a Mn-based Prussian Blue Analogue: Synchrotron Diffraction and Magnetic Susceptibility Study m33.p03 Jelsch Advanced Automated Charge Density Refinement & Interaction Energy Analyses m33.p04 Ozcan Investigation of different substituents's affects to the crystal and molecular structures in some anesthetic compounds m33.p05 Pantos Accumulation & inversion of the normal matrix using an atomic nearest neighbour sparsity scheme and an analysis of the effect of using such a scheme m33.p06 Puschmann Olex2: A Comprehensive Molecular Graphics Tool for Small-Molecule Structures	1
MS34	m34.p01 Bourhis Small molecule crystallography for the future m34.p02 Evrard Modelling Bound Ligands with ARP/wARP m34.p03 Garcia-Granda ROTFINDER: A Python Graphical User Interface to Perform Molecular Replacement m34.p04 Hall A Model for Coelescing Distributed Data Ontologies m34.p05 Lagoutte High resolution crystallography & electrostatic interaction energy computation m34.p06 Langer Recognition of Secondary Structural Elements in low-resolution crystallographic electron density maps m34.p07 Rolfe HAPPy - an Experimental Phasing and Model Building Pipeline from CCP4 m34.p08 Sadki Open Source Software for small molecule Crystallography m34.p09 Sneddon dSNAP: Working towards automatic interpretation of structural chemistry m34.p10 Stahl An Analysis of Ligand Structures in the Protein Data Bank m34.p11 Stephenson The CCP14: freely available crystallographic software for academia (collaborative computational project number 14) m34.p12 Torre-Fernández Bijvoet revisited. A Python class to check Friedel pairs m34.p13 Welter The CRYSTALBUILDER project : an easy way for single crystal structure analysis m34.p14 Wlodek Automated Ligand Refinement with a Combined Force Field and Shape Potential	2
MS35	m35.p01 Khachaturyan The control of x-ray diffracted beam by the surface acoustic wave in the grazing geometry m35.p02 Levonyan The formation of the X-ray phase contrast under the diffraction focusing of the spherical wave m35.p03 Nakajima Birefringence in multiple X-ray scatterings deduced from the alternative theory of Pendelloesung beat m35.p04 Pennartz Multilayer Optic Based Components for Synchro-tron Sources	1
MS36	m36.p01 Boldyreva X-ray diffraction and Raman spectroscopy studies of high-pressure polymorphs of L- and DL-serine m36.p02 Degtyareva Simple metals at high pressure: the Fermi sphere - Brillouin zone concept m36.p03 Degtyareva BRIZ: a visualization program for Brillouin zone - Fermi sphere configuration m36.p04 Dubrovinsky Beating the Miscibility Barrier Between Iron Group Elements and Magnesium by High-Pressure Alloying m36.p05 Fraysse Low-symmetry structures in the Zr-rich side of the pressure-temperature-composition phase diagram of Pb(Zr(1-x)Ti(x))O3 m36.p06 Jørgensen On the Compression Mechanism of FeF3 m36.p07 Kantor Structural and electronic properties of ferropericlase at high pressures m36.p08 Kantor Sound wave velocities of Fe-Ni alloy at high pressure and temperature m36.p09 Lyubutin High-Pressure Structural, Electronic and Magnetic Transformations in Compound Iron Oxides m36.p10 Makovicky The crystal structure of the LEP compound PbBi2S4 (galenobismutite) at the hydrostatic pressures between 0 and 10 GPa m36.p11 Malkov Change of Real Structure During Growth of Spherulite Crystals in Amorphous Selenium Films m36.p12 Minina Indestructive Technique for Elastic Uniaxial Stress of Monocrystals m36.p13 Noreland Controlled-temperature diffraction experiments on samples in glass capillaries m36.p14 Oganov Valence and spin states of iron in (Mg,Fe)SiO3 perovskite and post-perovskite at pressures of the Earth's lower mantle m36.p15 Polian Investigation of Mn site configuration in wurtzite and rock-salt Zn1-xMnxO by means of XAS experiments under pressure	1
MS37	m37.p01 Goderis Evidence for a mesomorphic phase in precisely branched polyethylenes m37.p02 Job Time-resolved SAXS study of the formation of resorcinol-formaldehyde aqueous gels m37.p03 Mohamed Effect of annealing on the microphase separation of polyurethane and polyurethaneurea elastomers m37.p04 Shiozawa A model of the solution structure of human Pex5p obtained by small angle X-ray scattering	2
MS38	m38.p01 Miki Nanocarbon Thin Films Prepared at Room Temperature by Synchrotron-Radiation-Stimulated Photochemical Reaction	2
MS39	m39.p01 Abid Synthesis And Crystal Structural of Two Metal-3,4 Xylidinium Cyclohexaphosphates m39.p02 Busi Crystal Structures and Thermal Behavior of Bis[dibenzyldimethylammonium]CuBr4 and Bis[dibenzyldimethylammonium]CuCl4 crystallized from acetonitrile and dilute HX solutions m39.p03 Fernández de Luis Structural Characterization of a New Nickel (II) Hybrid Vanadate: Ni8(4-4´Bpy)16V24O68 m39.p04 Fornero Characterization of fibrous minerals by Raman Spectroscopy m39.p05 Hodorowicz Organic/inorganic hybrid materials containing benzyldimethyl-n-alkylammonium haloplumbates with n = 2-4 m39.p06 Lemmerer Temperature Dependant Phase Transitions of Organic-Inorganic Hybrid Perovskites m39.p07 Roces Hydrothermal Synthesis and Crystal Structure of a new family of Lanthanide Phosphonates: [H3N(CH2)4NH3]Ln[hedpH2][hedpH] m39.p08 Roodt Packing behaviour in pseudo Vaska-type complexes m39.p09 Serrano Mild Hydrothermal Synthesis and Structural Study of a New Nickel Pyrazyne Vanadate m39.p10 Svoboda Which Parameter to Select For Estimating the Degree of Strain in Substituted Tetrahydropyrans? m39.p11 Vivani New inorganic-organic solids based on zirconium aminopolyphosphonates	2
MS40	m40.p01 Arroyo-de Dompablo Computational investigations on fluorinated-polyoxyanionic compounds as cathode materials for lithium batteries m40.p02 Kharitonova Sinthezis and Properties of Solid Solutions in One-Layer Aurivillius Phases	2
MS41	m41.p01 Akriche Crystal Chemistry and Sructure of MII Organic Diphosphate Hydrates (MII = Co, Cu) m41.p02 Artem'eva Crystal chemical Role of Oxalate and Malonate Ions m41.p03 Djeghri A New Azelato Barium(II) Coordination Polymer Containing Chains of Water Molecules m41.p04 Ben Hassen Structural and magnetic charecteristics of the er2cu2in1 m41.p05 Bényei Intramolecular Hydrogen Bonds in Heterodisubstituted Ferrocene Diamides m41.p06 Ðilovic Oxovanadium(V) thiosemicarbazonato complexes m41.p07 Dîrtu Structures of new Cu(II) and Co(II) 4-amino-1,2,4-triazole coordination compounds m41.p08 Fedorova First nitrate complexes with chain structure m41.p09 Gándara Synthesis, structure and properties of Ni and Co arylsulfonates m41.p10 Garcia Supramolecular interactions in the 2-D coordination polymers: [M(btre)2(NCS)2] (MII = Fe, Co) m41.p11 Gieck [Co(bppz)2](ClO4)2·MeOH: a new 2,6-bis(pyrazol-1-yl)pyrazine complex m41.p12 Glazunova Structure feature of 3-d metal and aluminum trifluoroacetates and their acetates analogs m41.p13 Gravereau Structural filiations in the new SrLiMTi4O11 (M=Cr,Fe)titanates m41.p14 Guehria-Laïdoudi synthesis and structure of a cerium succinato-bridged ionic open framework m41.p15 Guille Studies in the Structural Chemistry of Compounds resulting from barbituric and violuric acids m41.p16 Gutierrez-Puebla GeO2 Natrolite-Type Infinite 4 and 8 R-Containing Layers in a 2D Pure-Ge Framework m41.p17 Hamadène The polymeric anhydrous rubidium hydrogen oxalate m41.p18 Hansson Structural class distribution for cis/trans-PtX2L2, X=halogen, L=neutral ligand the structures of two polymorphs of cis-PtCl2(Bz2S)2 m41.p19 Harrington Four years of the EPSRC srs service m41.p20 Hawxwell The Design and Synthesis of Metal-Carboxylate Coordination Polymers m41.p21 Jokiniemi The structural study of metal complexes of bisphosphonate amide ester m41.p22 Kastas Synthesis, Crystal Structure and Spectral Studies of M(hsm)2(sac)2 complexes (M=Cu, Ni and Cd)	1
MS41	m41.p23 Kia Synthesis and crystal structures of three new rhenium(I)-tricarbonyl diimine complexes m41.p24 Kinzhybalo Aqua magnesium(II) phthalocyanine bis(diethylamine) solvate m41.p25 Lah Cu(II) complexes with dicarboxylic acids and 3-aminopyridine m41.p26 Milic Structural Characterisation of Two Molybdenum(V) Thiosemicarbazonato Complexes and Mo-containing Intermediates Derived from X2[MoCl5] (X = NH4 or PyH) m41.p27 Monge New Rare-Earth MOFs: Through polyhedral diversity to multifunctional properties m41.p28 Nockemann Crystal Structures of Anionic Lanthanide Complexes as Constituents of Ionic Liquids m41.p29 Pertlik Crystal chemistry of divalent lead: Characteristics of Pb-Ox-Cly-polyhedra m41.p30 Plachinda Synthesis and crystal Structures of high temperature borate in REE2O3 -Al2O3 - CuO - B2O3 system m41.p31 Rubin-Preminger Trends in hydrogen and halogen bridging in halopyridine cobaloximes m41.p32 Saithong Crystal Structures and Interactions in Packing of Copper(I) Halide Complexes Containg 3-Mercapto-4-methyl-4H-1,2-4-triazole m41.p33 Sladic Crystal structure of nickel(II) complex with 2-{1-[6-(1-selenosemicarbazonoethyl)-2-pyridyl]ethylidene}hydrazine carbonitrile m41.p34 Slepokura X-ray crystal and molecular structures of thymidine and guanosine 3',5'-cyclic monophosphates m41.p35 Snejko Novel Layered Indium Polymeric Framework: Structure and Catalytic Properties m41.p36 Stahl Isostructural strontium formate, fumarate and acetylendicarboxylate m41.p37 Tinant Detailed characterization of new Pd-based cluster compounds m41.p38 Zeller How complicated can it get: Diprotonated meso-tetra (5'-methylthien-2'-yl) porphyrin as its bistriflate salt m41.p39 Zviedre Synthesis and Crystal Structure of Potassium Bis(malonato)borate	2
MS42	m42.p01 Bartoszak-Adamska Comparison of C-tritylation products of two tricyclic analogs of acyclovir m42.p02 Blaszczyk Structural basis for superiority of quaternary N-triazynylammonium tetrafluoroborates as new coupling reagents in peptide synthesis m42.p03 Çelik Syntesis, crystallographic structure and semiempirical studies of N-[3-amino-5-methylisoxale]-3,5-di-tert-butylsalicylaldimine m42.p04 Dincer Benzoin thiosemicarbazone and benzoin 4-ethylthiosemicarbazone m42.p05 Donmez Structure and Magnetic Properties of a Manganese (III) Schiff-Base Complex m42.p06 Dyachenko Structure of new derivatives of 1,8-diaminonaphtalenes ("proton sponge") m42.p07 Glowka Is planarity of pyridin-2-yl- and pyrazin-2-yl-formamide thiosemicarbazones related to their tuberculostatic activity? m42.p08 Kazheva New molecular conductors with cobalt bis(dicarbollide) anion m42.p09 Klisuric Hydrogen Bonding and Structure-Activity Analysis of Some Antiandrogens m42.p10 Koseki Two polymorphs with different fluorescent properties of 2,5-bis(dimethylamino)-3,6-dicyanopyrazine dye m42.p11 Latreche 1-isopropyl-3,5-bis(p-fluorophenyl)- 1,3,5-triazacyclohexane	1
MS42	m42.p12 Leisegang Single crystal X-ray diffraction analysis of CeCu2Si2 m42.p13 Maluszynska Crystal structure and ferroelectricity in thiourea pyridinium salts inclusion compounds m42.p14 Pogorzelec-Glaser Imidazolium Salts of Dicarboxylic Acids - Crystal Structure in the Low Temperature Range 12K -120K m42.p15 Rzaigui Fulgide Photochromism in Crystal : Loss of Cristalline Order in the Photochromic Transformation of 3-Furylfulgide m42.p16 Stout Structural insights in the SoxY protein of Chlorobium limicola f. thiosulfatophilum m42.p17 Tercan 4',4',6',6'-tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2-benzoxazaphosphinine-2,2'-(2(lambda)5,4(lambda)5, 6(lambda)**5-cyclotriphosphazene)] m42.p18 Tokmakov Crystal Structure of Benzylidene-1,3-indandiones m42.p19 Vologzhanina Specific Features of the Lanthanides Stereochemistry in the Structures of Halide Containing Compounds m42.p20 Wolska Structural Characterization of New Potential 5-HT1A Receptor Ligands m42.p21 Wolstenholme A Topological Analysis of the Intra/Intermolecular Interactions of 5-Methylbenzo-Phenanthrene	2
MS43	m43.p01 De Borger The conformational landscape of stilbenes: a reassuring observation m43.p02 Elsegood 10 Years of small molecule crystallography at the SRS - A users perspective m43.p03 Sahin The photooxygenation of tetrahydronaphtalene and its chemical transformation	1
MS46	m46.p01 Kopsky Tensor distinction of pairs of completely transposable domain states in multiferroics m46.p02 Mikhailova Synthesis and crystal structure of a new rhenium scandium oxide, Sc6ReO12	1