{"id":252,"date":"2013-12-02T14:11:17","date_gmt":"2013-12-02T13:11:17","guid":{"rendered":"http:\/\/www.ens-lyon.fr\/crmn\/pnmr\/?page_id=252"},"modified":"2015-12-02T15:58:45","modified_gmt":"2015-12-02T14:58:45","slug":"workshop-chamonix-2013","status":"publish","type":"page","link":"https:\/\/www.ens-lyon.fr\/crmn\/pnmr\/events\/workshop-chamonix-2013\/","title":{"rendered":"Workshop I – CHAMONIX 2013"},"content":{"rendered":"

Multidisciplinary Workshop 1
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“Pushing the Envelope of Nuclear Magnetic Resonance Spectroscopy for Paramagnetic Systems. <\/span><\/p>\n

A Combined Experimental and Theoretical Approach”<\/span><\/p>\n

Held in conjunction with Bruker’s pre-Alpine Conference<\/span><\/p>\n

September 7 & 8, 2013<\/span><\/p>\n

H\u00f4tel les Aiglons Resort & Spa,\u00a0 Chamonix, France<\/span><\/p>\n

\"L1100986\"<\/a><\/p>\n

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Program:<\/span><\/h2>\n

Saturday, September 7<\/strong><\/em><\/span><\/p>\n

14:00\u00a0G. Pintacuda (CNRS Lyon)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Broadband pulses for paramagnetic NMR of materials and proteins<\/span><\/p>\n

14:20 C. P. Grey (Cambridge)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 New NMR methods for paramagnetic materials for batteries<\/span><\/p>\n

14:40 F. Engelke (Bruker Biospin)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Low T ultra-fast magic angle spinning technology<\/span><\/p>\n

15:00 C. Cop\u00e9ret (ETH Z\u00fcrich)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Characterization of functional materials based on paramagnetic metal centers with\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 application in catalysis and bio-imaging<\/span><\/p>\n

\u00a015:20 Coffee Break<\/span><\/p>\n

\u00a016:00 M. Kaupp (TU Berlin)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Periodic solid-state calculations of paramagnetic NMR shift tensors using advanced DFT<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 methods<\/span><\/p>\n

16:20 J. Vaara (Oulu)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Paramagnetic NMR theory interfacing experiments: interpretation and excited states<\/span><\/p>\n

16:40 V. Malkin (Bratislava)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Fully relativistic paramagnetic NMR theory: development, interpretation and applications<\/span><\/p>\n

17:00 J. Kowalewski (Stockholm)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0 First principles simulations of NMR relaxation derived from Quantum Chemical calculations<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 of Zero-Field Splitting sampled over ab initio molecular dynamics (MD) simulations<\/span><\/p>\n

\u00a017:20 Coffee Break<\/span><\/p>\n

\u00a018:00 M. Ubbink (Leiden)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Assignment of NMR spectra of large tagged proteins on the basis of pseudocontact shifts<\/span><\/p>\n

18:20 C. Luchinat (CERM Florence)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Paramagnetic effects for metalloprotein structure and dynamics in solution and in crystals<\/span><\/p>\n

\u00a018:40 Plenary Lecture<\/strong><\/span>-J. H. Prestegard (Univ. Georgia)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Structure and Dynamics of Large and Glycosylated Proteins Using Paramagnetic Tags<\/span><\/p>\n

\u00a020:00 Dinner and presentation of Bruker’s news
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Sunday, September 8<\/em><\/strong><\/span><\/p>\n

\u00a09:30 Rob Schurko\u00a0(Windsor)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Broadband techniques for quadrupolar nuclei<\/span><\/p>\n

9:50 Umit Akbey\u00a0(FMP, Berlin)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 H\/C\/N\/D inverse Probe<\/span><\/p>\n

10:10 Eike Brunner (MIT)\u00a0<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 29Si BioNMR<\/span><\/p>\n

\u00a010:30 Coffee break<\/span><\/p>\n

\u00a011:00 Bob Griffin (MIT)\u00a0<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 DNP with radicals and metal ions<\/span><\/p>\n

11:20 Bradley F. Chmelka (UC Santa Barbara)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Solid-state DNP-NMR of inorganic-organic materials<\/span><\/p>\n

11:40 Tatyana Polenova (U. Delaware)<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 MAS NMR Spectroscopy of Paramagnetic Solid Materials: Rare-Earth-Substituted<\/span><\/p>\n

\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Polyoxotungstates and Vanadium-Doped Microporous Titanosilicates<\/span><\/p>\n

\u00a012:00\u00a0Lunch<\/span><\/p>\n

Photos:<\/h2>\n\n\t\t