Links:

Rovnyak Group Page
Bucknell Chem. Dept.
Bucknell NMR Conf. 2005
Bucknell NMR Conf. 2004
Downloads : NMR Education

courses : research : recent publications

David Rovnyak

Research Area: Biophysical Chemistry

Assistant Professor
Department of Chemistry
Bucknell University
Lewisburg, PA 17837

drovnyak AT bucknell DOT edu
Rooke 215
Office : 570-577-3676
FAX : 570-577-1739 (chem dept.)

2001-2003:	Fellow of the National Cancer Institute at Harvard Medical School, (NRSA Award, National Institutes of Health)
2000:	Harvard Medical School (G. Wagner) Postdoctoral Fellow 2000
1999-2000:	Massachusetts Institute of Technology (R.G. Griffin) Postdoctoral Assoc.
1993-1999:	Massachusetts Institute of Technology (R.G. Griffin) Ph.D. (Physical Chem.)
1989-1993:	University of Richmond B.S. (Chemistry)

Spring 2009: Biological Physical Chemistry
Spring 2009: Seminar: Biomolecular Nuclear Magnetic Resonance

Fall 2008: Physical Chemistry
Fall 2008: Introduction to Molecular Spectroscopy (with Prof. Castle)

See blackboard web sites for all course materials and announcements.

Please visit the group web page for more detailed information. Nuclear magnetic resonance (NMR) is an important spectroscopic method for understanding the structure and dynamics of molecules of all sizes.

We gratefully acknowledge the support of the NSF and Bucknell University in the acquisition of a 600 MHz Varian Inc. 4 channel combined solids/liquid spectrometer to drive this work:

1) Proteins carry out life-sustaining tasks in our cells, and often rely upon inorganic elements like sodium, potassium, cobalt. zinc, and many others. With crucial initial support from Research Corporation (2005-2007) we are pursuing studies of zinc solid state NMR in model compounds, (manuscripts in preparation for 2009!) including turning also to the Kastner lab for X-ray crystallography to obtain necessary insights into these compounds.[22] This work includes interest in new methods for NMR of inorganic nuclei.[23]

2) We are working to develop improved and new technologies for practicing NMR spectroscopy and interpreting NMR data[10-11][13,18]. The broad success of NMR in material and biological sciences is overshadowed by the fact that NMR is not yet reaching its potential. Non-traditional approaches to acquiring and processing data show great promise to enabling new science.

3) We collaborate closely with the Strein lab in the study of the molecular basis for chiral recognition of model analytes by bile salt micelles. Recent results have shown NMR to be a potent tool for studying chirally selective interactions involving bile salt micelles,[15,21] (manuscripts in preparation for 2009!). We are very grateful for the current 2007-2010 support of this work from the American Chemical Society Petroleum Research Fund!

4) I advocate for introducing advanced NMR methods to undergraduate students and researchers. The pace of NMR research is breathtaking! We develop and disseminate laboratory and course experiences that effectively introduce undergraduate students to NMR [12,14,17,19]. Outreach at the graduate level is a more recent interest.[20]

Recent Publications

[23] D. Rovnyak, Kennedy, P.E, "Application of shaped adiabatic pulses to MQMAS spectrsoscopy of Spin 3/2 nuclei", Journal of Magnetic Resonance. 96, 191-199 (2009).

[22] Kennedy, P.E., Francis, N., Rovnyak, D., Kastner, M.E., "Redetermination of cis-diaquadiglycolatozinc(II)", Acta Crystallographica Section E: Structure Reports Online E64, 1635 (2008).

[21] Christine M. Hebling, Laura E. Thompson, Kyle W. Eckenroad, Gregory A. Manley, Roderick A. Fry, Karl T. Mueller, Timothy G. Strein, David Rovnyak, "Sodium Cholate Aggregation Observed by ¹H and ³¹P NMR Spectroscopy of the Probe Molecule (R,S) 1,1’-binaphthyl-2,2’ diylhydrogenphosphate (BNDHP)", Langmuir, 24, 13866-13874 (2008).

[20] D. Rovnyak,"Tutorial on analytic theory for cross-polarization in solid state NMR", Concepts in Magnetic Resonance Part A 32A (4), 254-276 (2008).

[19] Rovnyak, D., Thompson, L.E., Selzler, K.J., ”Experimentation with 15N enriched ubiquitin”, in Modern NMR in Education, Rovnyak, D., Stockland, R.A., eds, V969, 219-233 (2007).

[18 ]J. A. Kubat, J. J. Chou, D. Rovnyak,"Nonuniform sampling and maximum entropy reconstruction applied to the accurate measurement of residual dipolar couplings" J. Magn. Reson. 186, 201-211 (2007).

[17] D. Rovnyak, R. Stockland Jr., Eds."Modern Nuclear Magnetic Resonance Spectroscopy in Education", American Chemical Society Symposium Series Book, Oxford University Press. (2007).

[16] Vladimir Gelev, Huseyin Aktas, Assen Marintchev, Takuhiro Ito, Dominique Frueh, Michael Hemond, David Rovnyak, Mirijam Debus, Sven Hyberts, Anny Usheva, Jose Halperin and Gerhard Wagner,” Mapping of the Auto-inhibitory Interactions of Protein Kinase R by Nuclear Magnetic Resonance”, J. Mol. Biol. 364, 352-363 (2006).

[15] K. W. Eckenroad, L. E. Thompson, T.G. Strein, D. Rovnyak, "Proton NMR assignments for R,S-1,1-binaphthol (BN) and R,S-1,1-binaphthyl-2,2-diyl hydrogen phosphate (BNDHP) interacting with bile salt micelles", Magnetic Resonance in Chemistry 45, 72-75 (2006).
Abstract

[14] Thompson, L.E., Rovnyak, D.,"Accessible NMR experiments studying the hydrodynamics of ¹⁵N-enriched ubiquitin at low fields", Accepted in Biochem. Molec. Biol. Ed.35, 49-56 (2006).

[13].   Zhen-Yu J. Sun, Sven G. Hyberts, David Rovnyak, Sunghyouk Park, Alan S. Stern, Jeffrey C. Hoch, Gerhard Wagner, "High-Resolution Aliphatic Side-Chain Assignments in 3D HCcoNH Experiments with Joint H-C Evolution and Non-Uniform Sampling" J. Biomol. NMR 32 (2005). 55-60.
Abstract

[12].   Rovnyak, D., Thompson, L., "An Accessible Two-Dimensional Solution NMR Experiment on Human Ubiquitin", Biochem. Molec. Biol. Ed. 33 (2005), 117-122.
Abstract (BaMBEd Site)

[11].   Rovnyak, D., Hoch, J.C., Stern, A.S., Wagner, G.,"Resolution and Sensitivity of High Field Nuclear Magnetic Resonance Spectroscopy", J. Biomol. NMR 30 (2004), 1-10.
This article is a free download

[10].   Rovnyak, D., Frueh, D.P., Sastry, M., Sun, Z.-Y.J., Stern, A.S., Hoch, J.C., Wagner, G.,"Accelerated Acquisition of High Resolution Triple-Resonance Spectra Using Non-Uniform Sampling and Maximum Entropy Reconstruction", J. Magn Reson. 170 (2004), 15-21.
Abstract (doi link)

[9].   Rovnyak, D., Filip, C., Itin, B., Stern, A.S., Wagner G., Griffin, R.G., Hoch, J.C., “Multiple Quantum Magic-Angle Spinning Using Non-Linear Sampling”, J. Magn. Reson. 161 (2003), 43-55.
Abstract (doi link)

[8].   Rovnyak, D., Baldus, M., Wu, G., Hud, N.V., Feigon, J., Griffin, R.G. “Localization of 23Na+ in a DNA Quadruplex by High-Field Solid-State NMR”, J.Am.Chem.Soc. 122 (2000), 11423-11429.
Abstract (doi link)

[7].   Rovnyak, D., Baldus, M., Griffin, R.G.,”Multiple-Quantum Cross Polarization in Quadrupolar Spin Systems during Magic Angle Spinning”, J. Magn. Reson. 142 (2000) 145-152.
Abstract (doi link)

[6]     Rovnyak, D., Baldus, M., Itin, B. A., Bennati, M., Stevens, A., Griffin, R.G., “Characterization of a Carbon-Nitrogen Network Solid with NMR and High Field EPR”, J. Phys. Chem. 104 (2000) 9817-9822.
Abstract (doi link)

[5].   Baldus, M., Rovnyak, D., Griffin, R.G.,”MAS Assisted Multi-Quantum Recoupling in S=3/2 Quadrupolar Spin Systems”, J. Chem. Phys. 112 (2000) 5902-5909.
Abstract (doi link)

[4].   Wu, G., Rovnyak, D., Huang, P.C., Griffin, R.G., “High-Resolution Oxygen-17 NMR Spectroscopy of Solids by Multiple Quantum Magic-Angle Spinning”, Chem. Phys. Lett. 277 (1997) 79-83.
Abstract (doi link)

[3].   Wu, G., Rovnyak, D., et al.,”Unusual P-31 Chemical Shielding Tensors in Terminal Phosphido Complexes Containing a Phosphorous-Metal Triple Bond.”, J. Am. Chem. Soc. 118 (1996) 10654-10655.
Abstract (doi link)

[2].   Wu, G., Rovnyak, D., Griffin, R.G.,”Quantitative Multiple-Quantum Magic-Angle Spinning NMR Spectroscopy of Quadrupolar Nuclei in Solids.”, J.Am.Chem.Soc. 118 (1996) 9326-9332.
Abstract (doi link)

[1].   Wu, G., Rovnyak, D., Sun, B., Griffin, R.G.,”High–Resolution Multiple-Quantum MAS NMR Spectroscopy of Half-Integer Quadrupolar Nuclei”, Chem. Phys. Lett. 249 (1995) 210-217.
Abstract (doi link)
Erratum (eds mis-spelled my name!)