A. J. ShakaProfessor, Chemistry |
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Research Interests |
Physical and Biophysical Chemistry; NMR Spectroscopy | |
| URL | The Shaka Group | |
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Academic Distinctions |
1980 Rhodes Scholar 1980 NCAA Postgraduate Fellow 1984 Junior Research Fellow 1986 Miller Research Fellow 1988 National Science Foundation Presidential Young Investigator 1988 Beckman Foundation Young Investigator 1992 School of Physical Sciences Distinguished Teaching Award 1993 National Science Foundation Presidential Faculty Fellow 1994 UCI Alumni Association Distinguished Teaching Award 1994 Camille and Henry Dreyfus Foundation Teacher-Scholar 1994 Alfred P. Sloan Fellow 1994 Rolex Achievement Award 1995 Who's Who Among America's Teachers |
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| Appointments |
1984-85, Junior Research Fellow, St. John's College, Oxford (with Ray Freeman) 1985-87, Miller Fellow, University of California, Berkeley (with Alex Pines) |
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Research Abstract |
Our main interest is in improving NMR techniques and applying them to high field solution experiments from small molecules to very large proteins. We collaborate with structural biologists, organic chemists, crystallographers, and theorists in the search for improved methods to identify and characterize molecular structure and dynamics in solution. Adjustable broadband selective excitation with uniform phase. ABSTRUSE pulses let us excite the very large carbon-13 bandwidth at 800 MHz with very modest transmitter power, and represent a breakthrough application of frequency modulated pulses for the controlled excitation of magnetization. A modification of the ABSTRUSE pulses lets us acquire nuclear Overhauser build-up curves that are far more accurate than previously possible, especially when coupled spin systems are involved. Filter diagonalization. The filter diagonalization method (FDM) is a powerful way to analyze multidimensional NMR spectra; it offers radically improved resolution compared to conventional Fourier transformation. We have been actively collaborating with Professor Vladimir Mandelshtam to implement FDM in a routine way for high-dimensional NMR experiments. Early in 2005 two-dimensional FDM will be available in the freely-distributed NMRPipe software package; we expect 3D and 4D analysis plug-ins to follow quickly. |
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| Publications |
"Adjustable, Broadband, Selective Excitation with Uniform Phase." Cano K. E., Smith M. A., Shaka A. J. J. Magn. Reson. 2002, 155, 131. |
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"Three-Stranded Mixed Artificial Beta-Sheets." Nowick, J. S., Smith E. M., Ziller J. W., Shaka A. J. Tetrahedron 2002, 58, 727. |
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"Improved Broadband Inversion Performance for NMR in Liquids." Smith M. A., Hu H., Shaka A. J. J. Magn. Reson. 2001, 151, 269. |
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"Broadband Proton Decoupling for in Vivo Brain Spectroscopy in Humans." Barker P. B., Golay X., Artemov D., Ouwerkerk R., Smith M. A., Shaka A. J., Mag. Res. Med. 2001, 45, 226. |
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"RRT: The Regularized Resolvent Transform for High-Resolution Spectral Estimation." Chen J. H., Shaka A. J., Mandelshtam V. A. J. Magn. Reson. 2000, 147, 129. |
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"Regularization of the Two-Dimensional Filter Diagonalization Method: FDM2K." Chen J.H., Mandelshtam V. A., Shaka A. J. J. Magn. Reson. 2000, 146, 363. |
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"The Multidimensional Filter Diagonalization Method - II. Application to 2D Projections of 2D, 3D, and 4D NMR Experiments." Hu H., De Angelis A. A., Mandelsthtam V. A., Shaka A. J. J. Magn. Reson. 2000, 144, 357. |
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"Observation of Long-Range Small-Molecule NOEs Using a Neoteric Sensitivity Enhancement Scheme." Van Q. N., Smith E. M., Shaka A. J. J. Magn. Reson. 1999, 141, 191. |
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Professional Societies |
American Chemical Society American Association for the Advancement of Science |
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| Graduate Programs |
Chemical Biology |
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| Link to this profile | http://www.faculty.uci.edu/profile.cfm?faculty_id=2175 | |
| Last updated | 12/16/2005 | |
