Laboratory of Chemical Physics
National Institute of Diabetes and Digestive and Kidney Diseases
National Institutes of Health
Building 5, Room B1-27
9000 Rockville Pike
Bethesda, MD 20892
Experimental and theoretical aspects of developing improved methods for
accurate biomolecular structure determination via NMR spectroscopy; solid-state
NMR spectroscopy of low-frequency quadrupolar nuclei; quantum chemical calculation
and interpretation of NMR interaction tensors.
EDUCATION
Ph.D. in Chemistry, Dalhousie University, Halifax, Canada (2002).
Supervisor: Prof. R. E. Wasylishen
Thesis entitled "Insights from Across the Periodic Table into NMR Chemical
Shift, Electric Field Gradient, and Spin-Spin Coupling Tensors: New Information
from Solid-State NMR and Computational Chemistry"
B. Sc. (Hons) in Chemistry, Queen's University, Kingston, Canada (1998).
Honours project supervisor: Prof. R. P. Lemieux
RELEVANT EXPERIENCE AND ACTIVITIES
Member, Chemical Institute of Canada
Member, Canadian Society for Chemistry
Natural Sciences and Engineering Research Council (NSERC) of Canada Post-Doctoral
Fellow
Supervisor: Dr. Ad Bax
National Institutes of Health, Bethesda, MD, USA, 2003-present.
Post-Doctoral Fellow
Supervisor: R. E. Wasylishen
Department of Chemistry, University of Alberta, Canada, 2002.
Five-Time External User at the High-Field Magnetic Resonance Facility,
Environmental Molecular Sciences Laboratories
Pacific Northwest National Laboratories, Richland, WA, USA, 2001-2002.
23. David L. Bryce, Klaus Eichele, and Roderick E. Wasylishen "An 17O
NMR and Quantum Chemical Study of Monoclinic and Orthorhombic Polymorphs
of Triphenylphosphine Oxide" Inorg. Chem., 2003, 42, 5085-5096.
22. David L. Bryce and Roderick E. Wasylishen "Microwave Spectroscopy
and Nuclear Magnetic Resonance Spectroscopy - What is the Connection?" Acc.
Chem. Res., 2003, 36, 327-334.
21. Michelle A. M. Forgeron, David L. Bryce, Roderick E. Wasylishen,
and Roland Roesler "A Solid-State Multinuclear Magnetic Resonance Investigation
of Hexamethylborazine" J. Phys. Chem. A, 2003, 107, 726-735.
20. David L. Bryce and Roderick E. Wasylishen "Evaluation of the Influence
of Anisotropic Indirect Nuclear Spin-Spin Coupling Tensors on Effective
Residual Dipolar Couplings for Model Peptides" J. Biomol. NMR, 2003, 25,
73-78.
19. Roderick E. Wasylishen and David L. Bryce "A Revised Experimental
Absolute Magnetic Shielding Scale for Oxygen" J. Chem. Phys., 2002, 117,
10061-10066.
18. Juha Vaara, Jukka Jokisaari, Roderick E. Wasylishen, and David L.
Bryce "Spin-Spin Coupling Tensors as Determined by Experiment and Computational
Chemistry" Prog. Nucl. Magn. Reson. Spectrosc., 2002, 41, 233-304.
17. David L. Bryce and Roderick E. Wasylishen "A 95Mo and
13C Solid-State NMR and Relativistic DFT Investigation of Mesitylenetricarbonylmolybdenum(0)
- A Typical Transition Metal Piano-Stool Complex" Phys. Chem. Chem. Phys.
2002, 4, 3591-3600.
16. David L. Bryce and Roderick E. Wasylishen "Insight into the Structure
of Silver Cyanide from 13C and 15N Solid-State NMR
Spectroscopy" Inorg. Chem. 2002, 41, 4131-4138.
15. David L. Bryce and Roderick E. Wasylishen "Interpretation of Indirect
Nuclear Spin-Spin Coupling Tensors for Polyatomic Xenon Fluorides and Group
17 Fluorides: Results from Relativistic Density Functional Calculations"
Inorg. Chem. 2002, 41, 3091-3101.
14. David L. Bryce, Roderick E. Wasylishen, Jochen Autschbach, and Tom
Ziegler "Periodic Trends in Indirect Nuclear Spin-Spin Coupling Tensors:
Relativistic Density Functional Calculations for Interhalogen Diatomics"
J. Am. Chem. Soc. 2002, 124, 4894-4900.
13. David L. Bryce and Roderick E. Wasylishen "Ab Initio Characterization
of Through-Space Indirect Nuclear Spin-Spin Coupling Tensors for Fluorine-X
(X=F,C,H) Spin Pairs" J. Mol. Struct. 2002, 602-603, 463-472.
12. David L. Bryce, Guy M. Bernard, Myrlene Gee, Michael D. Lumsden,
Klaus Eichele, and Roderick E. Wasylishen "Practical Aspects of Modern
Routine Solid-State Multinuclear Magnetic Resonance Spectroscopy: One-Dimensional
Experiments" Can. J. Anal. Sci. Spect. 2001, 46, 46-82.
11. David L. Bryce and Roderick E. Wasylishen "The First Chromium-53
Solid-State Nuclear Magnetic Resonance Spectra of Diamagnetic Chromium(0)
and Chromium(VI) Compounds" Phys. Chem. Chem. Phys. 2001, 3, 5154-5157.
10. David L. Bryce, Myrlene Gee, and Roderick E. Wasylishen "High-Field
Chlorine NMR Spectroscopy of Solid Organic Hydrochloride Salts: A Sensitive
Probe of Hydrogen Bonding Environment" J. Phys. Chem. A 2001, 105, 10413-10421
.
9. David L. Bryce and Roderick E. Wasylishen "Modeling 2hJiso(N, N) in Nucleic Acid Base Pairs: Ab Initio Characterization
of the 2hJ(N, N) Tensor in the Methyleneimine Dimer
as a Function of Hydrogen Bond Geometry" J. Biomol. NMR 2001, 19, 371-375.
8. David L. Bryce, Roderick E. Wasylishen, and Myrlene Gee "Characterization
of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State
NMR Evidence for Anisotropic Boron Shielding" J. Phys. Chem. A 2001, 105,
3633-3640.
7. David L. Bryce and Roderick E. Wasylishen "Ab Initio Calculations
of NMR Parameters For Diatomic Molecules: An Exercise In Computational Chemistry"
J. Chem Educ. 2001, 78, 124-133.
6. David L. Bryce and Roderick E. Wasylishen "Symmetry Properties of
Indirect Nuclear Spin-Spin Coupling Tensors: First Principles Results for
ClF3 and OF2" J. Am. Chem. Soc. 2000, 122, 11236-11237.
5. Roderick E. Wasylishen, David L. Bryce, Corey J. Evans, and Michael
C. L. Gerry "Hyperfine Structure in the Rotational Spectrum of GaF.
A Comparison of Experimental and Calculated Spin-Rotation and Electric
Field Gradient Tensors" J. Mol. Spectrosc. 2000, 204, 184-194.
4. David L. Bryce and Roderick E. Wasylishen "Dipolar-Chemical Shift
and Rotational Resonance 13C NMR Studies of the Carboxyl-Methylene
Spin Pair in Solid Phenylacetic Acid and Potassium Hydrogen Bisphenylacetate"
J. Phys. Chem. A 2000, 104, 7700-7710.
3. David L. Bryce and Roderick E. Wasylishen "Indirect Nuclear Spin-Spin
Coupling Tensors in Diatomic Molecules: A Comparison of Results Obtained
by Experiment and First Principles Calculations" J. Am. Chem. Soc. 2000,
122, 3197-3205.
2. David L. Bryce and Roderick E. Wasylishen "Rotational Resonance in
Solid State NMR", an invited refereed contribution to the Encyclopedia of
Spectroscopy and Spectrometry, Lindon, J. C., Tranter, G. E.; Holmes, J.
L.; Academic Press Ltd.; 2000, pp 2136-2144.
1. David L. Bryce and Roderick. E. Wasylishen. "Beryllium-9 NMR Study
of Solid Bis(2,4-pentanedionato-O,O')beryllium and Theoretical Studies of
9Be Electric Field Gradient and Chemical Shielding Tensors.
The First Evidence for Anisotropic Beryllium Shielding" J. Phys. Chem. A
1999, 103, 7364-7372.
