DSR BioNUS SensitivityMicellesJOVE FigureTinoco
     Publications   |   DSR Lab Downloads   |   Concepts in Magnetic Resonance A  |   Concepts in Magnetic Resonance B   |   NEPA NMR Conference
        Chengtong Zhang (Chem/Phys '20)  - AMBER / micelles 
        Mark Roginkin (Biomed '20)  - NUS
        Noy Hassid (Bioch '21) - metabolomics
        Emma Robinson (MS '18) - metabolomics 
        Echo He (BS '20)* - micelles
        Raeanne Geffert (Bioch '20)* - micelles
        Chad Sussman (Bioch '19)* -micelles (*with Strein lab)
        Sophie Kong (Bioch '20)# - micelles (#with Krout lab)
        Group Alums
     Some Pictures:

        SUMMER 2014 Crew!                                              SUMMER 2014 Sigma Xi                                                    ENC 2013 Pictures                      
        Group Photo Summer 2014                                                        Matt Miele Sigma Xi 2014  Rajasri Alaparthi Sigma Xi 2014  Reilly Sonstrom Sigma Xi 2014                                          
        (Matt, Levi, Broc, Reilly, Rai, DSR)                      (Levi, Matt, Raj, Reilly)                                                           (Broc, Riju, Mel)


Aug 1 2018. Mark calendars for Emma Robinson's thesis defense!
June 2018. Congrats to Sophie Kong for winning one of the poster awards at Chirality in Princeton; and lab alum Reilly Sonstrom received for her PhD work at UVA!
May 2018. Read all about chiral binding sites in our newest article on Langmuir featuring Adam, Jenna, Kyle and Greg!
May 2018. Congratulations to Emma Wang (BS Biochem '18) on Phi Beta Kappa and starting a PhD candidacy at Yale in the fall!
May 2018. Quantile scheduler updated with more user-friendly features. Please visit our Downloads Page to get it!
May 2018. DSR and Frank did the NUS Tutorial at ENC 2018 - want to know how to SMILE or IST or maximize your entropy? What is the bandwidth of NUS anyway? While we wait for the video to go up, check out all of the ENC tutorial videos.
Spring 2018. Personalized medicine and our exciting collaboration with Geisinger shared in a Bucknell 360 Online Lecture.
Spring 2018. Quantile paper is live! Choosing NUS schedules is very intuitive with quantiles. Check it out at JMR.
Fall 2017. Emma Robinson giving a sneak peek of NAFLD metabolomic results at The Obesity Society. Poster Abstract.
Spring 2017. The quantile scheduler is now officially released - please visit our Downloads Page to get it.!
Spring 2017. Where did the time go? Congratulations to our graduating seniors D. Levi Craft ('17), Matt Taddeo ('17) and Ross Pirnie ('17)!
Spring 2016. Congratulations to our graduating seniors Reilly Sonstrom ('16) heading to UVA and Phillip Martin ('16) heading to PSU!
October 2015. Reilly Sonstrom (Cell Bio/Biochem'17) and Levi Craft (Eng. '18) presented posters at the Upstate NY NMR Conference.
October 2015. Get 20% 13C enrichment with 10% 13C glucose. We call it optimized fractional enrichment: congrats to first authors Broc and Reilly on this cool paper. (2015). Abstract.
April 2015. A great team effort led by Mel's thesis work puts NUS sensitivity on solid ground: Sensitivity of Nonuniform Sampling NMR, at J. Phys. Chem. B, (2015).
January 2014. Make NUS work for you. And this must be first use of Beer License in NMR software! Performance tuning non-uniform sampling for sensitivity enhancement of signal-limited biological, J. Biomol. NMR 58(4): 303-314, (2014). Abstract.
2014-15. Just noticed that the cross polarization tutorial is one of the top downloaded articles at Concepts.
Spring 2014. Some people are making a case that the Lambert function deserves to be a button on every calculator. We think so too!
2011-2012 NUS. You can calculate the sensitivity enhancement by NUS. It can even be compounded in multiple NUS dimensions.

Group Alumni:

   Xiaoyuan (Emma) Wang (Yale)
   D. Levi Craft (MS '19, Bucknell Chem. Eng.)
   Matthew Taddeo
   Ross Pirnie (w/ Strein lab) ( U. Penn)
   Reilly Sonstrom - (UVA)
   Phillip Martin - (PSU)
   Claire Ouimet - (B.S. 2014)
   Riju Gupta - (BS '14)
   Broc Wenrich (M.S. '14, TCMC)

  Melissa Palmer (B.S. '13, Picarro, San Francisco)
  Kendall Sandy (B.S. '13, Univ. Arizona)
  Adam Meier (B/S/ '13 w/ Strein lab, Univ. Arizona)

2012   Paris Barkan (Neuro '12, premed)
  Brandy Taylor (M.S. Chem '12, TBA)
  Broc Wenrich

  Thomas Mann (CHM '11, Stanford)


  Mark Sarcone (Bio '10)
  Lauren Manning (Bioch '10, Univ. Penn.)

2009   Will Tsai (CHM '09)
  Ze Jiang (CHM/MATH '09)
  Alyson Cobb (CHM '09)

  Paul Kennedy(M.S. '10, Penn State)
  Greg Manley (CHM '08, Yale Ph.D.)
  Jayne Kubat (CHM '08, Cornell DVM)
  Meghan Monaghan (CHM '08, Washington & Lee Law)

  Kyle Eckenroad (M.S. CHEM '07, Merck)
  Katie Selzler (BIO '07, Rochester Neuro. Ph.D.)
  Summer '07 Pic

  Lindsay Morris (CHM '06, ???)
  Laura Thompson (CHM '06, Ph.D. Univ. of Md)
  Matt Mosellen (CHM '06, George Mason Law)
  Michael Heinrich (CHM '06, Univ. Penn.)
  Brian Wilson (M.S. '06, Notre Dame)
  Jeff Stoltzfus (EE '06, ???)
  Summer '06 Pic

  Jamie Brown (BIO '04, ?)

Publications   (back to top)



[4] “Modern NMR Approaches for the Structure Elucidation of Natural Products Volume 2”, Antony J. Williams, Gary E. Martin, David Rovnyak, Editors. RSC Publishing, (2016).


[3] “Modern NMR Approaches for the Structure Elucidation of Natural Products Volume 1: Instrumentation and Software”, Antony J. Williams, Gary E. Martin, David Rovnyak, Editors. RSC Publishing, (2015).


[2] I. Tinoco, K. Sauer, J.C. Wang, J.D. Puglisi, G. Harbison, D. Rovnyak, “Physical Chemistry: Principles and Applications in Biological Sciences”, 5’th edition, Pearson, (2013).


[1] “Modern NMR Spectroscopy in Education”, D. S. Rovnyak and R. A. Stockland. Jr. (book) Editors. ACS Symposium Series, Oxford University Press, Volume 969, (2007).


Refereed Publications: (undergraduate coauthor; *M.S. or #M.A. coauthor)


[38] Meier, A.R., *Yehl, J.B., *Eckenroad, K.W., Manley, G.A., Strein, T.G., Rovnyak, D.,”Stepwise aggregation of cholate and deoxycholate dictates the formation and loss of surface-available chirally selective binding sites”,  Langmuir, 34 (22), pp 6489–6501 (2018) (https://pubs.acs.org/doi/10.1021/acs.langmuir.8b00467)


[37] Craft, D.L., Sonstrom, R.E., Rovnyak, V.G., Rovnyak, D. ,”Nonuniform sampling by quantiles”, J. Magn Reson. 288, 109-121 (2018).


[36] *Shauna L. Anderson, David Rovnyak, Timothy G. Strein,”Identification of Edible Oils by Principle Component Analysis”, in revision with J. Chem. Ed. 94(9), 1377-1382 (2017)

[35]  *Matthew M. Miele, *Shauna L. Anderson, *Scott C. Blackburn, *Sarah L. Bradley, D. Levi Craft, *Conor J. Flynn, Tyler J, Fulton, and David Rovnyak, “NMR Characterization of Adulterants in Health Supplements”, The Chemical Educator 21, 139-142 (2016).


[34] *Matthew M. Miele, B.A. Irving, B. R. Wenrich*, P.L. Martin, D. Rovnyak, “Reproducibility and Stability of Aqueous Metabolite Levels in Extracted Serum by NMR Spectroscopy” Current Metabolomics 5(1), 45-54 (2016).


[33] Kyle W. Eckenroad*, Gregory A. Manley, Jenna B. Yehl*, Ross T. Pirnie, Timothy G. Strein, David Rovnyak “An edge selection mechanism for chirally selective solubilization of binaphthyl atropisomeric guests by cholate and deoxycholate micelles” Chirality 28(7)  525-533 (2016).

[32] Shauna L. Anderson*, David Rovnyak, Timothy G. Strein, “Direct Measurement of the Thermodynamics of Chiral Recognition in Bile Salt Micelles” Chirality 28(4) 290-298 (2016).


[31] Melissa Palmer, Gupta, R., Richard, M., Suiter, C.L., Hoch, J.C., Polenova, T., Rovnyak, D.,”Application of nonuniform sampling for sensitivity enhancement of small molecule heteronuclear correlation NMR spectra” , 93-118,  in “Modern NMR Approach for the Structure Elucidation of Natural Products”, Eds: Gary E. Martin, Antony J. Williams, and David Rovnyak, RSC Publishing, (2015).


[30] *Wenrich, B. R., Sonstrom, R.E., Gupta, R.A., Rovnyak, D.,"Enhanced biosynthetically directed fractionalcarbon-13 enrichment of proteins for backbone NMR assignments", Protein Expr Purif  115, 1-10 (2015)


[29] Palmer, M.R., Suiter, C.L., Henry, G.E., Rovnyak, J., Hoch, J.C., Polenova, T., and D. Rovnyak, “Sensitivity of Nonuniform Sampling NMR”, J. Phys. Chem. B, 119, 6502-15 (2015).


[28] Rebecca Force, Shui Ling Chen, Emily Fortier, Emily Rowlands, Jean Jeneks, David Rovnyak, and Geneive Henry,”Spirocyclin acylphloroglucinol derivatives from Hypericum pyramidatum”, Nat. Prod. Comm. 9, 889-1058 (2014).


[27] Brian W. Williams and David Rovnyak, “A closed-form solution for the optimal time evolution of an exponentially decaying signal with thermal noise”, Concepts in Magnetic Resonance A 43(2): 54-56 (2014).


[26] Melissa R. Palmer, Broc R. Wenrich*, Phillip Stahlfeld, David Rovnyak, “Performance tuning non-uniform sampling for sensitivity enhancement of signal-limited biological NMR”, J. Biomol. NMR 58(4): 303-314, (2014).


[25] Christopher L. Suiter, Sivakumar Paramasivam, Guangjin Hou, Shangjin Sun, David Rice, Jeffrey C. Hoch, David Rovnyak, Tatyana Polenova, “Sensitivity gains, linearity and spectral reproducibility in nonuniformly sampled multidimensional MAS NMR spectra of high dynamic range”, J. Biomol. NMR 59: 57-73, (2014).


[24] Sivakumar Paramasivam, Suiter, C.L., Hou, G., Sun, S., Palmer, M., Hoch, J. C., Rovnyak, D. and Tatyana Polenova,” Enhanced Sensitivity by Nonuniform Sampling Enables Multidimensional MAS NMR Spectroscopy of Protein Assemblies“ J. Phys. Chem. B 116(25): 7416-7427 (2012).


[23] Rovnyak, D., Sarcone, M.D., Jiang Z.,”Sensitivity Enhancement for Maximally Resolved Two-Dimensional NMR Spectra by Nonuniform Sampling”, Magnetic Resonance in Chemistry 49(8), 483-491 (2011). (DOI: 10.1002/mrc.2775)


[22] Rovnyak, D., *Kennedy, P., “Application of shaped adiabatic pulses to MQMAS NMR spectroscopy of S=3/2 nuclei”, Journal of Magnetic Resonance, 196, 191-199 (2009).


[21] *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).


[20] Hebling, C. M., Thompson, L.E., *Eckenroad, K.W., Manley, G.A., Fry, R.A., Mueller, K.T., Strein, T.G., Rovnyak, D., “Sodium Cholate Aggregation and Chiral Recognition of the Probe Molecule (R,S) 1,1’-binaphthyl-2,2’ diylhydrogenphosphate (BNDHP) Observed by 1H and 31P Nuclear Magnetic Resonance Spectroscopy”, Langmuir, 24, 13866-13874 (2008).


[19] Rovnyak, D.,”Tutorial on Analytic Theory of Cross Polarization”, Concepts in Magnetic Resonance, 32A, 254-276 (2008).


[18] 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).


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


[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] *Eckenroad, K.W., Thompson, L.E., Strein, T.G., Rovnyak, D.,"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).


[14] Thompson, L.E., Rovnyak, D.,"Accessible NMR experiments studying the hydrodynamics of 15N-enriched ubiquitin at low fields", 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.


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


[11] Rovnyak, D., Stern, A.S., Hoch, J.C., Wagner, G., “Resolution and Sensitivity of High Field Nuclear Magnetic Resonance Spectroscopy” J. Biomol. NMR, 30, 1-10 (2004).


[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, 15-21 (2004).


[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, 43-55 (2003).


[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, 11423-11429 (2000).


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


[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, 9817-9822 (2000).


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


[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, 79-83 (1997).


[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, 10654-10655 (1996).


[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, 9326-9332 (1996).


[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, 210-217 (1995).