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

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) Postdcotoral 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)

Fall 2007: Physical Chemistry Lab
Fall 2007: CHEM 357, Proteins in 3D

Spring 2007: CHEM 340, Biological Physical Chemistry
Spring 2007: CHEM 347. 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. Here is the quick breakdown :

1) I advocate for introducing advanced NMR methods to undergraduate students and researchers. The pace of NMR research is breathtaking, and its growing importance in structural and cell biology cannot be understated! We develop and disseminate laboratory and course experiences that effectively introduce undergraduate students to NMR [12,14,17].

2) NMR is an ideal tool to better understand how inorganic elements are utilized in large biological polymers known as proteins. Proteins carry out life-sustaining tasks in our cells, and often rely upon inorganic elements like sodium, potassium, cobalt. zinc, and many others to perform such tasks. We are obtaining a variety of proteins and model compounds containing inorganic centers for solid- and liquid-phase NMR studies.

3) We are working to develop improved and new technologies for practicing NMR spectroscopy and interpreting NMR data[10-11][13]. The broad success of NMR in material and biological sciences is overshadowed by the fact that NMR is not yet reaching its potential. Many aspects of NMR data analysis are computationally intensive and today’s modern desktop computers are now opening up frontiers to apply new methods of computer analysis to NMR data.

4) 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, and have begun to localize regions of interest and allow for preliminary model building. Much more to come!

Recent Publications

[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)", Submitted (2008).

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