ORSAY JULY 3 - 4 2000
EUROPEAN WORKSHOP ON X-RAY ABSORPTION FOR BIOLOGY
July 3, 2000
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10:30 |
ASCONE Isabella |
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Introduction |
Topic 1
New and/or recently published
BioXAS results
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10:45 |
PENNER-HAHN James - University of Michigan - U.S.A. Zn catalyzed alkyl-transfer reactions: a new class of biological Zn sites. |
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11:20 |
GNIDA Manuel - Medical University of Lübeck - GERMANY Active site structure of CO dehydrogenase of Oligotropha carboxidovorans. Structural implications of different activities. |
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11:45 |
MANGANI Stefano - Università di Siena - ITALY XAS characterization of the Atx1 protein from the prokaryote Bacillus subtilis. |
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12:10 |
MURPHY Loretta - Daresbury Laboratory CLRC - U. K. |
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The Role of XAFS In Understanding The Catalytic Cycle Of Cu, Zn SOD. |
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12:35-14:00 |
Lunch |
Topic 2
Primary data
acquisition. Recording conditions required to obtain information of biological
relevance (e.g. quality of spectra, stability of biological samples upon
irradiation, electrochemical stabilization of redox proteins, control of sample
chemical and/or physical conditions).
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14:00 |
GOULON - José European Synchrotron Radiation Facility - FRANCE |
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From Difference analyses to Dichroism: new experimental challenges to extract more information from X-ray Absorption spectra |
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14:35 |
CHAMPLOY Frédéric - Université Paris XII - FRANCE |
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Photoreduction of B12 samples caused by X-ray radiation. |
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15:00 |
MARASSI Roberto - Università di Camerino - ITALY |
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Hydroxocobalamin, a vitamin B12 model studied by XAS as function of pH under electrochemical control. |
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15:25 |
SALVATO Benedetto - Università di Padova - ITALY |
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Protection from X-ray damage by solid matrix embedding of proteins. |
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15:50-16:20 |
Coffee break and posters |
Topic 3
Methods and instrumentation for biological
samples.
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16:20 |
SIMIONOVICI Alexandre - European Synchrotron Radiation Facility - FRANCE |
| State of the art and prospects for X-ray microtechniques: XAS and other spectroscopies. | |
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16:55 |
BERTRAND Loïc - Laboratoire de Recherche des Musées de France - FRANCE |
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XAS study of metal fixation in archaelological keratinised biomaterials. |
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17:15 |
SOLE Armando - European Synchrotron Radiation Facility - FRANCE |
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ID26, an ultra-diluted sample beam line; equipment for biology. |
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17:35 |
COGNIGNI Andrea - LURE - FRANCE |
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Electrochemical cells dedicated to biological samples. |
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17:55-19:00 |
Posters |
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19:00 |
Buffet dinner |
July 4, 2000
Topic 4
Specific problems of data analysis with biological samples (e.g. effect on XAS spectra of one ligand distance variation, complementarity of X-ray diffraction and XAS data, precision in measurements, statistical error
treatment...)
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09:00 |
BENFATTO Maurizio - Laboratori Nazionali Frascati INFN - ITALY |
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Recent developments in XANES analysis for biology. |
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09:35 |
MICHALOWICZ Alain - Université Paris XII - FRANCE |
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Is it possible to get accurate Co-axial ligands bond lengths in Vitamin B12 and related macrocyclic model compounds by fitting EXAFS spectra ? |
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10:00 |
PURANS Juris - University of Latvia - LATVIA |
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Very precise local structure from EXAFS: reinvestigation of local structure of hydrated Ln 3+ ions. |
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10:25 |
CURIS Emmanuel - LURE - FRANCE |
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A minimal hypotheses model for determination, propagation and usage of statistical errors in XAS. |
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10:50-11:10 |
coffee break |
Topic 5
New and/or recently published BioXAS results
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11:10 |
FEITERS Martinus C. - University of Nijmegen - THE NETHERLANDS |
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Differences in the Cu environments of Helix pomatia (vineyard snail) and Limulus polyphemus (horseshoe crab) hemocyanins detected by EXAFS. |
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11:35 |
SABATUCCI Annalaura - Università di Camerino - ITALY |
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Structural properties of the binuclear ative site of mollusc and arthropod oxy- and deoxy-hemocyanins. Evidences from EXAFS and XANES spectroscopy. |
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12:00 |
HEINZ Uwe - University of the Saarland - GERMANY |
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EXAFS investigations of Zinc and Cadmium beta lactamases. |
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12:25-14:00 |
Lunch |
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14:00 |
HASNAIN S. Samar - University of Manchester - U.K. |
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Why EXAFS is necessary for metalloproteins studies? Some recent results. |
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14:35 |
MORANTE Silvia - Dipartimento di Fisica - INFM - ITALY |
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Resolving the structure of Tetanus Neurotoxin by X-ray Absorption Spectroscopy |
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15:00 |
NICOLIS Ioannis – Université Paris V - FRANCE |
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XAS characterization and XRF monitoring, applied on an arsenic based antitumor drug |
Topic 6
EXAFS and XANES data analysis programs: latest versions. Speakers should indicate specific performance in the treatment of data from biological samples e.g.: amino acid identification, interfaces between protein data bank/XAS programs and protein data bank/simulations, potentials. What is existing and what should be
developed.
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15:25 |
PROVOST Karine GPMD - Université Paris XII- FRANCE |
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CRYSTALFF, a bridge between crystallography, molecular modelling and EXAFS multiple scattering calculation with FEFF. |
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15:45 |
DENT Andy - Daresbury Laboratory CLRC - U.K. |
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EXCURV98 for Biological Systems. |
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16:05 |
DI CICCO Andrea - Università di Camerino - ITALY |
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GNXAS program: advances in multiple scattering EXAFS data analysis. |
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16:25 |
FOURME Roger |
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Conclusions |
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Practical session on computers
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BioXAS 2000 workshop includes a practical session on computer for demonstration of several programs for the XAS data analysis. The demonstration of each program is planned for 1.5 hours so that each interested participant can discover two programs. Each demonstration should include the full treatment of a test case, from experimental data to a structural model. At the end of the first session, the participant will have two possibilities: either to discuss at an advanced level with the program specialist, or to follow another demonstration on a different program. Participants involved: XAS non-specialists: first contact with XAS analysis; XAS specialists who would like to discover another software or to get information on updated versions; XAS specialists who have specific questions about a particular software. |
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16:40 |
MICHALOWICZ Alain |
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Introduction to the practical session |
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| 16:55 –17:10 | Coffee break |
Five programs are available:
GNXAS, (Di CICCO Andrea and COGNIGNI Andrea), EXCURV (DENT Andy, MURPHY Loretta), LASE (CURIS Emmanuel and NICOLIS Ioannis), CRYSTALFF and coupling with FEFF (PROVOST Karine and MICHALOWICZ Alain), XMAN (BENFATTO Maurizio).