1. Biological and Material Solid State NMR NHMFL NMR User Committee Meeting, Tallahassee, October 2, 2009 Zhehong Gan

2. Instrumentations and Capabilities 900UWB: PISEMA/Bicelle 3.2mm VT HX MAS 3.2mm Bruker HCN MAS 830NB (Keck)1.8, 4 and 7mm MAS 2.75mm HX MAS (Samoson) 600WB(1&2) PISEMA/Bicelle 4mm HXY MAS (Bruker) 4mm HFX MAS (Bruker) (soon in 2009)3.2mm HCN low-E MAS (funded by UCGP) 1.3mm HXY 60kHz ultrafast MAS (Bruker)

3. Enhancing Spectral Resolution of HETCOR Spectra at 900 MHz Fu, R.; Gordon, E.D.; Hibbard, D.J.; and Cotten, M., J. Am. Chem. Soc. 131 (31), 10830-10831 (2009) Myriam Cotten/Hamilton College; Riqiang Fu/NHMFL Supported by NSF (CHE-0832571), Research Corporation, Dreyfus Foundation, & NIH R01 AI23007

4. HETCOR Spectra of Aligned T 21 G 22 Piscidin 3 Peptide at 900 MHz Myriam Cotten/Hamilton College; Riqiang Fu/NHMFL

5. M2 Protein Drug Target for Flu Virus This 22-62 tetrameric construct (25kDa) has been shown to function as a proton channel blockable by the anti-viral drug, amantadine. Below is a PISEMA spectrum of uniformly aligned, amino acid specific ( 15 N Leu, 15 N Val, 15 N Phe) labeled sample in DOPC DOPE lipids. Spectra for the entire backbone have been obtained and assigned. Structure is very different from the solution NMR structure obtained in DHPC in that the amphipathic helix interacts interfaces with the lipid bilayer as opposed to forming a water soluble domain. In collaboration with David Busath, BYU & Huan-Xiang Zhou, FSU Physics

6. A Model H-bonded Solid: NH 4 H 2 PO 4 (ADP) N PO 4 H NMR Study of Structural Phase Transition on 900 MHz Naresh Dalal/FSU; Riqiang Fu, Bill Brey, Jason Kitchen/NHMFL Order-disorder behavior Isotropic chemical shift, δ iso, is invariant to rotational and translational changes. Displacive behavior Any change in δ iso detected at a phase transition implies a change in the electronic structure of the molecular moiety.

7. High field, Probe and Pulse sequence Development for Material Applications Gan et al, JMR, 200 (2009) 2, Sideris et al Science 321 (2008) 113 Efficient SPAM-MQMAS pulse sequence Balanced probe circuit delivers high B 1 field Sensitivity enhancement with high B 0, B 1 and SPAM-MQMAS for low-  nuclei

8. Optimizing QCPMG for low-  wideline NMR at High Fields I. Hung/NHMFL

9. 35 Cl QCPMG NMR spectra of (a) Cp2ZrCl2, (b) Cp2TiCl2, (c) Cp2MoCl2 and (d) Cp2WCl2 acquired at 25 and 19.6 T QCPMG NMR using Resistive Magnets I. Hung, K. Shetty. W. Brey, Z. Gan/ NHMFL P. Ellis/PNNL, SSNMR submitted

10. Sc 2 O 3 18 6 coord. Sc 140 User highlight: High field, fast MAS and MQMAS of Ionic Conductors L. Buannic, F. Blanc, C. Grey StonyBrooks 11.7T 19.6T 36kHz MAS 1-pulse Q-filtered spin-echo SPAM-MQMAS BZSc30 Low-field (500MHz) spectra at users’ lab show no sign of 5-coord Sc site of interest in Sc-doped Ba-Zr perovskites which has been found and measured under high magnetic field, fast MAS, Q-filtered, and SPAM-MQMAS pulse sequence.

11. 14 N NMR: indirect detection and PISEMA AlaGlyGly, 600MHz, 4mm 10kHz MAS, 128 scans per point 14 N PISEMA of N-acetyl-D-valine (600MHz, 128 t 1 /8 scans) I. Hung, C. Qian, W. Brey, Z. Gan, Supported by UCGP

12. Users and Collaborators Materials and Quadrupolar Nuclei -C. Grey/StonyBrooks 25 Mg, 27 Al, 89 Y, 45 Sc, clay, zeolite, ion-conductor -L. Polles/Rennes 95 Mo nanoparticle catalyst -S. Sen/UCDavis 73 Ge glasses -H. Jakobsen/Aarhus 33 S, 17 O, instrumentation -Warwick, St Andrews/UK Natural abundant 17 O, 45 Ca minerals and glasses -G. Wu/Queens protein-ion binding/ 39 K MQMAS -B. Chemlka/UCSB 25 Mg, 45 Ca, 67 Zn, nanomaterials -Amoureux/Lille Low-  probe development -Hernandez-Maldonado/Puerto Rico porous sorbent and catalyst -Cheng, Yang/Xiamen Battery materials Bio-solids and membrane proteins -S. Opella (UCSD) -G. Veglia (Minnesota) -A. Rammamoorthy (Michigan) -M. Cotten (Hamilton College)