PROGRAM OF THE

XXXIII Annual Congress on Magnetic Resonance

Tuesday, September 16

10.00-19.00 REGISTRATION

19.00-21.00 Welcome Reception

Wednesday, September 17

8.30-9.00 OPENING OF THE MEETING

9.00-10.30 PLENARY LECTURES, Aula Magna. Chair: P. Fantazzini

9.00-9.45 P. T. Callaghan, Victoria University at Wellington, New Zealand

Surprising connections - the diverse world of magnetic resonance 9.45-10.30 P. J. Cozzone, CNRS Marseille, France Magnetic resonance spectroscopy and spectroscopic imaging of the human brain: clinical applications 10.30-10.50 STELAR: Lothar Helm, Ecole Polytechnique Fédérale, Lausanne, Switzerland

NMR relaxometry applied to gadolinium based MRI contrast agents

10.50-11.20 COFFEE BREAK

11.20-12.50 PARALLEL SESSIONS

NMR IN BIOMEDICINE, Aula Magna. Chair: F. Conti 11.20-11.50 A. Bifone, GlaxoSmithKline, Verona Pharmacological MRI: mapping drug-induced brain activation 11.50-12.10 N. Culeddu, CNR, Sassari NMR experts and MRI quality test, an application 12.10-12.30 F. M. Cavagna, Bracco Imaging, Milano Intravascular contrast agents for MR imaging: technologies and new clinical applications in cardiac, oncologic, and neurologic imaging 12.30-12.50 S. Grande, Istituto Superiore di Sanità and INFN, Roma Changes in ¹H MRS signals from mobile lipids and from lipid precursors during cell growth: a multivariate analysis study MATERIALS SCIENCE, Aula B.Chair: R. Simonutti 11.20-11.50 D. Capitani, CNR Montelibretti Materials studied with a portable NMR instrumentation 11.50-12.10 R. Gobetto, University of Torino Solid state NMR investigation of hydrogen bond in supramolecular adducts 12.10-12.30 K. Severing, University of Freiburg, Germany ²H-NMR investigations on the biaxiality on a liquid crystalline side chain polymer 12.30-12.50 M. Mauri, University of Milano-Bicocca Continuous flow Xe-OPSE NMR applied to the characterization of materials 12.50-14.30 LUNCH, Hotel Elefante

14.30-16.00 PLENARY LECTURES, Aula Magna. Chair: M. Piccioli

14.30-15.15 R. Konrat, University of Vienna, Austria

Automated biomolecular NMR spectroscopy for large scale structural genomics 15.15-16.00 D. O. Cicero, University of Roma, Tor Vergata Selectivity and flexibility in DNA-protein interactions: the E2 DNA-binding domain from Human Papillomavirus 16.00-16.20 S-IN: Brent Lefebvre, ACD Toronto, Canada

ACD/Combi NMR: ¹H and ¹³C automated verification

16.20-16.50 COFFEE BREAK

16.50-18.20 PARALLEL SESSIONS

RELAXATION/LOW RESOLUTION, Aula Magna. Chair: M. Fasano 16.50-17.20 M. Botta, University of Piemonte Orientale Reversible Oxy-Anion Binding in Aqueous Solution at a Gd(III) Center: an NMR Relaxometric Study 17.20-17.40 N. Ghofraniha, University of Roma, La Sapienza ¹⁷O-water multipole relaxation 17.40-18.00 L. Casciani, University of Roma, La Sapienza

Polymeric materials characterization by application of multivariate analysis to low field nuclear magnetic resonance data

18.00-18.20 L. Laghi, University of Bologna The effect of ageing on the egg white - a water proton relaxation study
METHODOLOGY, Aula B. Chair: M. Tatò 16.50-17.20 D. Carbonera, University of Padova Optically Detected Magnetic Resonance of Photosynthetic Reaction Centers 17.20-17.40 S. Bradamante, Institute of Molecular Science and Technology, CNR Milano Application of a NMR-compatible microgravity-based bioreactor for on-line monitoring cell cultures 17.40-18.00 N. Niccolai, University of Siena Peptide-protein interactions studied by surface plasmon and nuclear magnetic resonances 18.00-18.20 L. B. Pasternack, Scripps Research Institute, La Jolla, CA High-resolution diffusion-ordered spectroscopy to probe the microenvironment of Jandajel and Merrifield resins 18.20-20.30 Free Dinner

20.30-22.00 GIDRM AND GIRM MEETINGS, Aula Magna

(with after-dinner drinks...)

Thursday, September 18

9.00-10.30 PLENARY LECTURES, Aula Magna. Chair: P. A. Temussi

9.00-9.45 M. Llinas, Carnegie Mellon University, USA, "Lincei Lecturer"

The CLOUDS approach to biomolecular NMR structure computation 9.45-10.30 P. Fantazzini, University of Bologna More than seventeen years of NMR in porous media at the University of Bologna 10.30-10.50 VARIAN: E. Kupce, Varian, Oxford, UK

Fast multi-dimensional NMR spectroscopy

10.50-11.20 COFFEE BREAK

11.20-12.50 PARALLEL SESSIONS

NMR AND BIOINFORMATICS, Aula Magna. Chair: N. Niccolai 11.20-11.50 R. H. Fogh, University of Cambridge, United Kingdom CCPN - New NMR analysis software and an NMR data standard 11.50-12.10 F. Capozzi, University of Bologna NMR folding investigations of recombinant EF-hand calcium-binding proteins 12.10-12.30 A. Rosato, University of Firenze Bioinformatic and NMR tools for the characterization of molecular features of metalloproteins 12.30-12.50 S. C. E. Tosatto, University of Padova

A divide & conquer approach to fast loop modeling

"GIULIO CESARE BORGIA" MINISYMPOSIUM ON POROUS MEDIA AND MATERIALS,
Aula B. Chair: P. T. Callaghan

11.20-11.50 J.-P. Korb, CNRS Palaiseau, France Surface dynamics of liquids in porous media: a field cycling approach 11.50-12.10 M. Balzarini, ENI Divisione E&P, San Donato Milanese NMR diffusion measurements and MRI image analysis in reservoir rocks 12.10-12.30 R. Toffanin, PROTOS Trieste High resolution NMR imaging for the quantitative analysis of trabecular bone architecture 12.30-12.50 M. Gussoni, University of Milano Modeling biological and material porous systems by ¹H NMR T₁ and T₂ relaxation and imaging 12.50-14.30 LUNCH, Hotel Elefante

14.30-16.00 PARALLEL SESSIONS

FUNCTIONAL PROTEOMICS, Aula Magna. Chair: M. Paci 14.30-15.00 M. Casu, University of Cagliari Solution Structural Investigation of Pig Metmyoglobin cavities and surface by ¹²⁹Xe NMR Spectroscopy

15.00-15.20 R. Ugolini, University of Verona

Folding studies on liver basic fatty acid binding protein 15.20-15.40 A. M. D'Ursi, University of Salerno Conformational behaviour of Ab(25-35) in different environmental conditions 15.40-16.00 M. Valerio, University of Roma, La Sapienza Study of aggregation and folding of proteins by NMR and molecular dynamics: 1-40 and 1-28 b-amyloids

"GIULIO CESARE BORGIA" MINISYMPOSIUM ON POROUS MEDIA AND MATERIALS,
Aula B. Chair: P. T. Callaghan

14.30-15.00 G. Maddinelli, EniTecnologie Milano Application of NMR techniques in petrochemical industrial research 15.00-15.20 C. Casieri, University of L'Aquila Use of model systems to interpret NMR in-situ measurements for cultural heritage materials 15.20-15.40 M. Alesiani, University of Roma, La Sapienza Porous structure properties determination by NMR imaging and relaxation 15.40-16.00 S. Spera,Istituto Donegani, Novara A solid-state NMR study of β zeolite, carried out with the help of probe molecules

16.00-18.00 POSTER SESSION & COFFEE BREAK

18.00-19.00 PLENARY LECTURE, Aula Magna. Chair: C. Marchioro

18.00-19.00 GIRM GOLD MEDAL: A. Spisni, University of Parma

My first 30 years of acquaintance with the spins Friday, September 19

9.00-9.45 PLENARY LECTURE, Aula Magna. Chair: L. Zetta

G. Esposito, University of Udine

Near the borderline of the structural and functional information that can be obtained by NMR spectroscopy 9.45-10.45 BEST POSTERS

10.45-11.15 COFFEE BREAK

11.15-12.55 PARALLEL SESSIONS

FUNCTIONAL PROTEOMICS, Aula Magna. Chair: H. Molinari 11.15-11.45 R. Fattorusso, Second University of Napoli Solution structure and dynamic behaviour of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: a molecular analysis of its reduced thermal stability 11.45-12.15 D. Picone, University of Napoli The swapping of terminal arms in ribonucleases 12.15-12.35 R. Pierattelli, University of Firenze Study of transient intermediates in biomolecular processes by NMR 12.35-12.55 A. Bernini, University of Siena

Surface accessibility of HEW lysozyme

MOLECULAR REACTIVITY AND DESIGN, Aula B. Chair: S. Chimichi 11.15-11.45 M. Peruzzini, CNR Firenze ³¹P NMR spectroscopy as an useful tool to evaluate the solution structure of transition metal complexes incorporating fragments and units derived from white phosphorus 11.45-12.15 G. Cerioni, University of Cagliari ¹⁷O NMR: a quasi-exotic tool for the organic chemist 12.15-12.35 F. Sancassan, University of Genova Lanthanide-Induced Shifts (L.I.S.) in structural and conformational analysis 12.35-12.55 S. Ripoli, University of Pisa

Solution molecular structure determinations: paramagnetic NMR of Ytterbium complexes

12.55-14.30 LUNCH, Hotel Elefante

14.30-16.00 PLENARY LECTURES, Aula Magna. Chair: S. Bradamante

14.30-15.15 A. Watts, University of Oxford, United Kingdom

Solid state NMR to resolve intimate structural and dynamic details about ligand-receptor interactions 15.15-16.00 R. Riccio, University of Salerno

Relative stereochemical analysis in chiral organic compounds with conformational mobility by quantum mechanical calculation of ¹³C NMR parameter

16.00-16.20 BRUKER: R. Kerssebaum, Bruker BioSpin GmbH, Germany

DOSY – Applications and limitations

16.20-16.50 COFFEE BREAK

16.50-18.20 PARALLEL SESSIONS

INTERACTOMICS, Aula Magna. Chair: G. Esposito 16.50-17.20 D. Bentrop, University of Freiburg, Germany Cytoplasmic domains of potassium ion channels and their protein-protein interactions 17.20-17.40 D. A. Middleton, University of Manchester Institute of Science and Technology, United Kingdom

Insights into protein-protein interactions within biomembranes by solid-state NMR

17.40-18.00 N. D'Amelio, University of Siena NMR structural model of the interaction of acifluorfen with the photosynthetic reaction center from Rhodopseudomonas viridis 18.00-18.20 G. M. Contessa, University of Roma, Tor Vergata Calmodulin modulation of the olfactory CNG channel: solution structure by NMR of a complex between a fragment of the N-terminal domain and calmodulin

MOLECULAR REACTIVITY AND DESIGN, Aula B.Chair: M. A. Cremonini

16.50-17.20 S. Provera, GlaxoSmithKline, Verona Use of HPLC-NMR for speeding up the structure elucidation process in pharmaceutical industry 17.20-17.40 A. Mele, Polytechnic University of Milano NMR study of the structure of some imidazolium-based room temperature ionic liquids 17.40-18.00 D. Maggioni, University of Milano Association equilibria involving (C₆F₅)₂B(OH) species in toluene-d₈ and CD₂Cl₂ solutions 18.00-18.20 S. Chimichi, University of Firenze Selective monoalkylation of dihydroxycoumarins via Mitsunobu dehydroalkylation: a regiochemical problem solved by NMR 18.20-18.30 CONCLUDING REMARKS

19.30-22.30 SOCIAL DINNER