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A. J. Shaka

Professor, Chemistry
School of Physical Sciences

Ph.D., Oxford University, 1984, Physical Chemistry

B.S., Harvey Mudd College, 1980, Chemistry

Phone: (949)824-8509
Fax: (949) 824-8571
Email: ajshaka@uci.edu

University of California, Irvine
4134 Natural Sciences Building 1
Mail Code: 2025
Irvine, CA 92697

picture of A. J. Shaka

Physical and Biophysical Chemistry; NMR Spectroscopy; Chemistry of Aging; Nuclear Power; Radiochemistry
URL The Shaka Group
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
2007 Fellow, American Association of Arts and Sciences
2010 Emmy Award, Best Instructional Series (chemistry distance learning, Coastline College)
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)
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.
Publications Sensitivity analysis of solutions of the harmonic inversion problem: are all data points created equal?
Celik H, Shaka AJ, Mandelshtam VA.
J. Magn. Reson. (2010) 206, 120-126.
  Selective heteronuclear Hartmann-Hahn: a multiple-pulse sequence for selective magnetization transfer in the structural elucidation of "isotagged" oligosaccharides.
Meng X, Nguyen WH, Nowick JS, Shaka AJ.
J. Magn. Reson. (2010) 203, 73-80.
  Sensitive, quantitative carbon-13 NMR spectra by mechanical sample translation.
Donovan K, Allen M, Martin RW, Shaka AJ.
J. Magn. Reson. (2009) 197, 237-241.
  Enhanced spectral resolution by high-dimensional NMR using the Filter Diagonalization Method and "hidden" dimensions.
Meng X, Nguyen BD, Ridge CD, Shaka AJ.
J. Magn. Reson. (2009) 196, 12-22.
  "Ersatz" and "Hybrid" NMR spectral estimates using the Filter Diagonalization Method.
Ridge CD, Shaka AJ.
J. Phys. Chem. A. (2009) 113, 2036-2052.
  SOGGY: Solvent-optimized double gradient spectroscopy for water suppression. A comparison with existing techniques.
Nguyen BD, Meng X, Donovan KJ, Shaka AJ.
J. Magn. Reson. (2007) 184, 263-274.
  Minimizing the overlap problem in protein NMR: a computational framework for precision amino acid labeling.
Sweredoski MJ, Donovan KJ, Nguyen BD, Shaka AJ, Baldi P.
Bioinformatics (2007) 23, 2829-2835.
  "From gene to HSQC in under five hours: high throughput NMR proteomics.
Keppetippola S, Kudlicki W, Nguyen BD, Meng X, Donovan KJ, Shaka AJ.
J. Am. Chem. Soc. (2006) 128, 4508-4509.
  Adjustable, broadband, selective excitation with uniform phase.
Cano KE, Smith MA, Shaka AJ.
J. Magn. Reson. 2002, 155, 131-139.
  Improved Broadband Inversion Performance for NMR in Liquids.
Smith MA, Hu H, Shaka AJ
J. Magn. Reson. 2001, 151, 269-283.
  Broadband proton decoupling for in vivo brain spectroscopy in humans.
Barker PB, Golay X, Artemov D, Ouwerkerk R, Smith MA, Shaka AJ.
Mag. Res. Med. 2001, 45, 226232.
American Chemical Society
American Association for the Advancement of Science
American Nuclear Society
Nuclear Energy Institute
Nuclear Advocacy Network
Thorium Energy Alliance
Graduate Programs Chemical Biology

Link to this profile http://www.faculty.uci.edu/profile.cfm?faculty_id=2175
Last updated 10/15/2010