MUSASHI: NMR pulse width determination method by nonlinear least square curve fitting

Chemistry Letters

Volumn 34, Issue 4, 2005, Pages 540-541

  Kurimoto, Tomomitsu ^a   Asakura, Katsuo ^a   Yamasaki, Chiharu ^a   Nemoto, Nobuaki ^a  

^a JEOL LTD   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; AUTOMATION; CALIBRATION; NONLINEAR SYSTEM; PROTON NUCLEAR MAGNETIC RESONANCE; REGRESSION ANALYSIS; STRUCTURAL GENOMICS;

EID: 21644476580     PISSN: 03667022     EISSN: None     Source Type: Journal    
DOI: 10.1246/cl.2005.540     Document Type: Article

References (14)

1. S. Yokoyama, H. Hirota, T. Kigawa, T. Yabuki, M. Shirouzu, T. Terada, Y. Ito, Y. Matsuo, Y. Kuroda, Y. Nishimura, Y. Kyogoku, K. Miki, R. Masui, and S. Kuramitsu, Nat. Struct. Biol., 7, 943 (2000).
2. J. R. Wesener and H. Günther, J. Magn. Reson., 62, 158 (1985);
3. D. B. Lawn and A. J. Jones, Aust. J. Chem., 35, 1717 (1982).
4. J. Tang, C. P. Lin, M. K. Bowman, and J. R. Norris, J. Magn. Reson., 62, 167 (1985);
5. H. Barkhuijsen, R. De Beer, W. M. M. J. Bovée, and D. van Ormondt, J. Magn. Reson., 61, 465 (1985);
6. P. Stoica, N. Snadgren, Y. Selén, L. Vanhamme, and S. van Huffle, J. Magn. Reson., 165, 80 (2003).
7. 15N pulse width determination for labeled proteins in solution. This will be described elsewhere (Asakura et al., submitted).
8. D. C. Liu and J. Nocedal, Math. Program., 45, 503 (1989);
9. J. Nocedal, Math. Comput., 24, 773 (1980).
10. Available from http://www.ici.ro/camo/unconstr/lbfgs.htm
11. 6 was written in FORTRAN and was ported to Percival. The calculations were done on MacOS 10.3.7 on a PowerBook G4 (Apple Computer Inc., Cupertino, CA, USA).
12. 15N uniformly (≈98%) labeled chlorella ubiquitin solution was purchased (Chlorella Industry Co. Ltd., Tokyo, Japan). Data was obtained on a JEOL JNM-ECA600 spectrometer (JEOL LTD., Akishima, Japan) operating at 14.1 T. The temperature of the solution was set to 25°C. A set of arrayed single pulse experiment varying pulse width from 2 to 42 μs in 2 μs step with solvent suppression was carried out.
13. 7 for Red-hat Linux, Microsoft Windows and Apple MacOSX is available from http://www.jeol.com/. Delta-NMR supports not only JEOL's data format but also the other formats. This means that data acquired on systems other than JEOL's can be processed by Delta-NMR and MUSASHI. Although the current version of Delta-NMR (version 4.3) does not contain MUSASHI, we have a plan to port MUSASHI to Delta-NMR in the coming major revision of Delta-NMR. This new version of Delta-NMR also will be available from the same address shown above. For those that need help to install it, please have a contact with the author to whom corresponding should be addressed.
14. 6,7 and we here describe the idea of 90° pulse determination, we believe that a professional programmer or a graduate student in physical or analytical chemistry having knowledge of computer programming can implement a program equivalent to MUSASHI on his or her own system (on his or her favorite language or operating system) in a relatively short time. We are pleased to provide further information for those who wish to build their own upon the request to the author to whom corresponding should be addressed.