XL Congresso Associazione Italiana di Cristallografia (AIC) PROGRAM Siena, 19-22 September 2011 Meeting Program Monday, 19th September Location: Rectorate of the University of Siena, via Banchi di Sotto 55 15:00 Registration 16:30-17:00 Aula Magna Opening ceremony 17:00-18:00 Plenary Lecture - Venkatraman Ramakrishnan Unraveling the structure of the ribosome 18:00 Palazzo Comunale di Siena, Piazza del Campo Visit to the museums and welcome party Tuesday, 20th September Location: Centro Conferenze “Le Scotte”, Strada Le Scotte 4 08:30 Registration 09:00-10:00 Prize “Mario Mammi” Lecture - Dario Braga The growing world of crystals forms 10:00-10:30 Coffee Break 10:30-13:00 Parallel sessions MS1: Comprehensive approach to structural characterization Chair: Simona Quartieri 10:30-11:00 KN1: Average crystal structure, local ditortions and microstructures in columbite Michele Zema 11:00-11:30 KN2: Structure and properties of composites Gloria Tabacchi dye-zeolite hybrid 11:30-11:50 OP1: Superionic phase transitions in silver sulfosalts: the case of fettelite, [Ag6As2S7][Ag10HgAs2S8] Silvio Menchetti 11:50-12:10 OP2: Porous materials at low temperature and high pressure: a comparative study of cancrinite G. Diego Gatta 12:10-12:30 OP3: The high pressure structure of Mn2(CO)10 Piero Macchi 12:30-12:50 OP4: Intermolecular interactions and dye dispersion of polyene-diphenylaniline D5 on TiO2 and their role in the efficiency of DSSC solar cells Marco Milanesio 12:50-13:10 OP5: CrysAlisPro: User Inspired Software Alex Griffin MS2: Molecular recognition and self assembly Chair: Pierangelo Metrangolo 10:30-11:00 KN1: Diagnostics with cavitands Chiara Massera 11:00-11:30 KN2: The metalloligand (ML) approach to the synthesis of metal-frameworks (MOFs) with different potential applications. The case of β-diketonate complexes Lucia Carlucci 11:30-11:50 OP1: Fine tuning of weak interactions to control supramolecular association of half-sandwich Ru complexes Alessia Bacchi 11:50-12:10 OP2: Unusual crystal pattern of brucine in its diastereomeric salt in a tricyclic acetic acid derivative. A case of cystallization-induced dynamic resolution Paola Paoli 12:10-12:30 OP3: The influence of crystal structure on molecular conformation: a case study Valeria Ferretti 12:30-12:50 OP4: Supramolecular architectures: the key of chargedassisted hydrogen bonds and weak intermolecular interactions Angiolina Comotti 12:50-13:10 OP5: Anion coordination and anion-templated assembly under halogen bonding control Giancarlo Terraneo 13:10 Lunch 14:00-16:30 Poster session and coffee break 16:30-19:00 Parallel sessions MS3: Structure Determination for Medicinal Chemistry Chair: Renzo Cini 16:30-17:00 KN1: Metal-based indolo[3,2-d]benzazepines and indolo[3,2c]quinolines as potential antitumor drugs Vladimir Arion 17:00-17:30 KN2: Development of Ru coordination compounds as potential antitumor agents Ennio Zangrando 17:30-17:50 OP1: Characterization of the intercalation of organic molecules into layered double hydroxides by fast in situ XRPD Eleonora Conterosito 17:50-18:10 OP2: Ionic co-crystals of active pharmaceutical ingredients and their applications in the pharmaceutical industry Giulio I. Lampronti 18:10-18:30 OP3: Probing the HDAC catalytic site: new VS known biasing binding elements for the Zinc Manuela Rodriquez 18:30-18:50 OP4: Metal-oxicam complexes from X-ray structure to innovative ways for drug delivery Gabriella Tamasi 18:50-19:10 OP5: Adducts formed between anticancer metallodrugs and selected proteins: insights from X-ray diffraction and mass spectrometry studies Luigi Messori MS4: Defect Structures, Crystal Growth, Nonocrystals Chairs: Andrea Zappettini, Claudio Ferrari 16:30-17:00 KN1: Real-time structural investigation of organic thin films Silvia Milita 17:00-17:30 KN2: X-ray studies of nanocrystal formation and ordering Leander Tapfer 17:30-17:50 OP1: Characterization of bulk single crystals by X-ray topography performed with and advanced sild-state 2D detector with high lateral resolution Fabio Masiello 17:50-18:10 OP2: Growth of Germanium nanowires using Manganes nano-droplets S.J. Rezvani 18:10-18:30 OP3: Micro pulling-down growth og LuAG and LLF single crystal fibers for laser applications Stefano Veronesi 18:30-18:50 OP4: Organic semiconducting single crystals for optolectronic applications Beatrice Fraboni 18:50-19:10 OP5: Structural GIXRD analysis of tetracene thin films grown on different substrates: morphology and transport correlations Giuseppe Tarabella Wednesday, 21st September Location: Centro Conferenze “Le Scotte”, Strada Le Scotte 4 09:00-10:00 Plenary Lecture - Alain Baronnet Biocrystal status and growth in Ca-carbonate mollusk shells 10:00-10:15 Coffee Break 10:15-11:00 Prize “Mario Nardelli” Lecture - Fabrizio Nestola Diamond and crystallography: messages from the deep earth 11:00-13:00 Session MS 5: Highlights of Italian Crystallography Chair: Stefano Mangani 11:00-11:30 KN1: Vapor-liquid-solid and vapor-solid growth processes: structural implications of catalist consumption during selfcatalysed growth of GaAs nanowires Silvia Rubini 11:30-12:00 KN2: Structure and function of enzymes in purine catabolism Giuseppe Zanotti 12:00-12:30 KN3: A combined “DFA-RDF” total scattering approach to investigate SiO2/TiO2 nanocomposites Antonietta Guagliardi 12:30-13:00 KN4: When work and hobby coincide Tullio Pilati 13:00 Lunch 14:30-15:15 Prize “Mario Nardelli” Lecture - Elisa Boanini New bio-inspired materials: a crystallographic point of view 15:15-15:35 Doctoral Thesis Prize - Irene Russo Krauss Structural studies of nucleic acids and proteins involved in nucleic acid recognition 15:35-17:00 Flash presentations and Poster session 17:00-17:30 Coffee Break 17:30-19:00 AIC General Assembly 21:00 Social Dinner, Chiostro di San Francesco Thursday, 22nd September Location: Centro Conferenze “Le Scotte”, Strada Le Scotte 4 09:00-10:00 Plenary Lecture - Kari Rissanen Supramolecular crystallography: interplay of intermolecular interactions in the solid state 10:00-10:30 Coffee Break 10:30-13:00 Parallel sessions MS 6: Biocrystallography Chair: Hugo Monaco 10:30-11:00 KN1: Cell division and revival from dormacy in pathogenic bacteria: a structural perspective Rita Berisio 11:00-11:30 KN2: Playing with pH and carbonic anhidrase: a story of inhibition and X-ray induced activation Maurizio Polentarutti 11:30-11:50 OP1: Ligands binding studies of a twinned crystal with X8PROSPECTOR and PROTEUM2 suite Marianna Biadene 11:50-12:10 OP2: The crystal structure of human complement factor I reveals heavy-chain allosteric control and explains disease associated polymorphisms Pietro Roversi 12:10-12:30 OP3: X-ray structural analysis of salicylate 1,2-dioxygenase from pseudaminobacter salicylatoxidans: substrates adducts of wild-type and of selectively mutated enzymes Marta Ferraroni 12:30-12:50 OP4: Structural insight into iron pathways in ferritin Cecilia Pozzi MS 7: Porous Materials Chairs: Consiglia Tedesco, Angiolina Comotti 10:30-11:00 KN1: Nanoporous molecular crystals Neil B. McKeown 11:00-11:30 KN2: Co-crystalline and nanoporous crystalline structures of polymers Gaetano Guerra 11:30-11:50 OP1: Chemical selectivity in structure determination by modulation enhanced X-ray diffraction: proof of principle by simulated and real data Davide Viterbo 11:50-12:10 OP2: Heat of adsorption for crystalline materials determined from microcalorimetry and traditional isosteric methods Jeffrey Kenvin 12:10-12:30 OP3: Host-guest interactions in luminescent MOF Lucia Maini 12:30-12:50 OP4: Porous borosilicates upon heating: enexpected flexibility and boron coordination change probed by in situ timeresolved synchrotron powder diffraction Lara Leardini 12:50-13:10 OP5: Supramolecular assembly of 1D fluorinated metal organic frameworks directed by halogen bond Luca Colombo 13:10 Closing Ceremony