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Publications

  1. Thijs, M.; Laletas, E.; Quinn, C. M.; Raguraman, S. V.; Carr, B.; Bierganns, P. Total and Class-Specific Determination of Fluorinated Compounds in Consumer and Food Packaging Samples Using Fluorine-19 Solid-State Nuclear Magnetic Resonance Spectroscopy. Analytical Chemistry 2024, DOI: 10.1021/acs.analchem.3c04404.
  2. Ganguly, H. K.; Ludwig, B. A.; Tressler, C. M.; Bhatt, M. R.; Pandey, A. K.; Quinn, C. M.; Bai, S.; Yap, G. P. A.; Zondlo, N. J. 4,4-Difluoroproline as a unique 19F NMR probe of proline conformation. Biochemistry 2024, DOI: 10.1021/acs.biochem.3c00697.
  3. Integrated Structural Biology; Royal Society of Chemistry, 2023. DOI: 10.1039/9781837670154.
  4. Zhou, J.; Yang, P.; Kots, P. A.; Cohen, M.; Chen, Y.; Quinn, C. M.; de Mello, M. D.; Anibal Boscoboinik, J.; Shaw, W. J.; Caratzoulas, S.; et al. Tuning the reactivity of carbon surfaces with oxygen-containing functional groups. Nat Commun 2023, 14 (1), 2293. DOI: 10.1038/s41467-023-37962-3.
  5. Sarkar, S.; Zadrozny, K. K.; Zadorozhnyi, R.; Russell, R. W.; Quinn, C. M.; Kleinpeter, A.; Ablan, S.; Meshkin, H.; Perilla, J. R.; Freed, E. O.; et al. Structural basis of HIV-1 maturation inhibitor binding and activity. Nat Commun 2023, 14 (1), 1237. DOI: 10.1038/s41467-023-36569-y.
  6. Kots, P. A.; Vance, B. C.; Quinn, C. M.; Wang, C.; Vlachos, D. G. A two-stage strategy for upcycling chlorine-contaminated plastic waste. Nature Sustainability 2023, 6 (10), 1258-1267. DOI: 10.1038/s41893-023-01147-z.
  7. Zhang, C.; Guo, C.; Russell, R. W.; Quinn, C. M.; Li, M.; Williams, J. C.; Gronenborn, A. M.; Polenova, T. Magic-angle-spinning NMR structure of the kinesin-1 motor domain assembled with microtubules reveals the elusive neck linker orientation. Nat Commun 2022, 13 (1), 6795. DOI: 10.1038/s41467-022-34026-w.
  8. Sarkar, S.; Runge, B.; Russell, R. W.; Movellan, K. T.; Calero, D.; Zeinalilathori, S.; Quinn, C. M.; Lu, M.; Calero, G.; Gronenborn, A. M.; et al. Atomic-resolution structure of SARS-CoV-2 Nucleocapsid protein N-terminal domain. J Am Chem Soc 2022, 144 (23), 10543-10555. DOI: 10.1021/jacs.2c03320.
  9. Quinn, C. M.; Xu, S.; Hou, G.; Chen, Q.; Sail, D.; Andrew Byrd, R.; Rozovsky, S. 77Se-13C based dipolar correlation experiments to map selenium sites in microcrystalline proteins. J Biomol NMR 2022, 76 (1-2), 29-37. DOI: 10.1007/s10858-022-00390-4.
  10. Porat-Dahlerbruch, G.; Struppe, J.; Quinn, C. M.; Gronenborn, A. M.; Polenova, T. Determination of accurate  19F chemical shift tensors with R-symmetry recoupling at high MAS frequencies (60–100 kHz). J Magn Reson 2022, 340, 107227. DOI: 10.1016/j.jmr.2022.107227.
  11. Porat-Dahlerbruch, G.; Struppe, J.; Quinn, C. M.; Gronenborn, A. M.; Polenova, T. 19F fast MAS (60-111 kHz) dipolar and scalar based correlation spectroscopy of organic molecules and pharmaceutical formulations. Solid State Nucl Magn Reson 2022, 122, 101831. DOI: 10.1016/j.ssnmr.2022.101831.
  12. Kots, P. A.; Xie, T.; Vance, B. C.; Quinn, C. M.; de Mello, M. D.; Boscoboinik, J. A.; Wang, C.; Kumar, P.; Stach, E. A.; Marinkovic, N. S.; et al. Electronic modulation of metal-support interactions improves polypropylene hydrogenolysis over ruthenium catalysts. Nat Commun 2022, 13 (1), 5186. DOI: 10.1038/s41467-022-32934-5.
  13. Byron, C.; Silva-Quinones, D.; Sarkar, S.; Brown, S. C.; Bai, S.; Quinn, C. M.; Grzenda, Z.; Chinn, M. S.; Teplyakov, A. V. Attachment Chemistry of 4-Fluorophenylboronic Acid on TiO2 and Al2O3 Nanoparticles. Chemistry of Materials 2022, 34 (23), 10659-10669. DOI: 10.1021/acs.chemmater.2c02789.
  14. Zadorozhnyi, R.; Sarkar, S.; Quinn, C. M.; Zadrozny, K. K.; Ganser-Pornillos, B. K.; Pornillos, O.; Gronenborn, A. M.; Polenova, T. Determination of Histidine Protonation States in Proteins by Fast Magic Angle Spinning NMR. Front Mol Biosci 2021, 8, 767040. DOI: 10.3389/fmolb.2021.767040.
  15. Vance, B. C.; Kots, P. A.; Wang, C.; Hinton, Z. R.; Quinn, C. M.; Epps, T. H.; Korley, L. T. J.; Vlachos, D. G. Single pot catalyst strategy to branched products via adhesive isomerization and hydrocracking of polyethylene over platinum tungstated zirconia. Applied Catalysis B: Environmental 2021, 299, 120483. DOI: 10.1016/j.apcatb.2021.120483.
  16. Sergeyev, I. V.; Quinn, C. M.; Struppe, J.; Gronenborn, A. M.; Polenova, T. Competing transfer pathways in direct and indirect dynamic nuclear polarization magic angle spinning nuclear magnetic resonance experiments on HIV-1 capsid assemblies: implications for sensitivity and resolution. Magn. Reson. 2021, 2 (1), 239-249. DOI: 10.5194/mr-2-239-2021.
  17. Quinn, C. M.; Zadorozhnyi, R.; Struppe, J.; Sergeyev, I. V.; Gronenborn, A. M.; Polenova, T. Fast  19F Magic-Angle Spinning Nuclear Magnetic Resonance for the Structural Characterization of Active Pharmaceutical Ingredients in Blockbuster Drugs. Anal Chem 2021, 93 (38), 13029-13037. DOI: 10.1021/acs.analchem.1c02917.
  18. Liang, L.; Ji, Y.; Zhao, Z.; Quinn, C. M.; Han, X.; Bao, X.; Polenova, T.; Hou, G. Accurate heteronuclear distance measurements at all magic-angle spinning frequencies in solid-state NMR spectroscopy. Chem Sci 2021, 12 (34), 11554-11564. DOI: 10.1039/d1sc03194e.
  19. Kraus, J.; Sarkar, S.; Quinn, C. M.; Polenova, T. Chapter Two – Solid-state NMR spectroscopy of microcrystalline proteins. In Annual Reports on NMR Spectroscopy, Webb, G. A. Ed.; Vol. 102; Academic Press, 2021; pp 81-151. DOI: 10.1016/bs.arnmr.2020.10.002.
  20. Guo, C.; Fritz, M. P.; Struppe, J.; Wegner, S.; Stringer, J.; Sergeyev, I. V.; Quinn, C. M.; Gronenborn, A. M.; Polenova, T. Fast 19F Magic Angle Spinning NMR Crystallography for Structural Characterization of Fluorine-Containing Pharmaceutical Compounds. Anal Chem 2021, 93 (23), 8210-8218. DOI: 10.1021/acs.analchem.1c00784.
  21. Struppe, J.; Quinn, C. M.; Sarkar, S.; Gronenborn, A. M.; Polenova, T. Ultrafast  1H MAS NMR Crystallography for Natural Abundance Pharmaceutical Compounds. Mol Pharm 2020, 17 (2), 674-682. DOI: 10.1021/acs.molpharmaceut.9b01157.
  22. Lu, M.; Russell, R. W.; Bryer, A. J.; Quinn, C. M.; Hou, G.; Zhang, H.; Schwieters, C. D.; Perilla, J. R.; Gronenborn, A. M.; Polenova, T. Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR. Nat Struct Mol Biol 2020, 27 (9), 863-869. DOI: 10.1038/s41594-020-0489-2.
  23. Hassan, A.; Quinn, C. M.; Struppe, J.; Sergeyev, I. V.; Zhang, C.; Guo, C.; Runge, B.; Theint, T.; Dao, H. H.; Jaroniec, C. P.; et al. Sensitivity boosts by the CPMAS CryoProbe for challenging biological assemblies. J Magn Reson 2020, 311, 106680. DOI: 10.1016/j.jmr.2019.106680.
  24. Bai, S.; Quinn, C. M.; Holmes, S. T.; Dybowski, C. High-resolution 13C and 43Ca solid-state NMR and computational studies of the ethylene glycol solvate of atorvastatin calcium. Magn Reson Chem 2020, 58 (11), 1010-1017. DOI: 10.1002/mrc.4937.
  25. Russell, R. W.; Fritz, M. P.; Kraus, J.; Quinn, C. M.; Polenova, T.; Gronenborn, A. M. Accuracy and precision of protein structures determined by magic angle spinning NMR spectroscopy: for some ‘with a little help from a friend’. J Biomol NMR 2019, 73 (6-7), 333-346. DOI: 10.1007/s10858-019-00233-9.
  26. Lu, M.; Wang, M.; Sergeyev, I. V.; Quinn, C. M.; Struppe, J.; Rosay, M.; Maas, W.; Gronenborn, A. M.; Polenova, T. 19F Dynamic Nuclear Polarization at Fast Magic Angle Spinning for NMR of HIV-1 Capsid Protein Assemblies. J Am Chem Soc 2019, 141 (14), 5681-5691. DOI: 10.1021/jacs.8b09216.
  27. Fritz, M.; Kraus, J.; Quinn, C. M.; Yap, G. P. A.; Struppe, J.; Sergeyev, I. V.; Gronenborn, A. M.; Polenova, T. Measurement of Accurate Interfluorine Distances in Crystalline Organic Solids: A High-Frequency Magic Angle Spinning NMR Approach. J Phys Chem B 2019, 123 (50), 10680-10690. DOI: 10.1021/acs.jpcb.9b08919.
  28. Wang, M.; Lu, M.; Fritz, M. P.; Quinn, C. M.; Byeon, I. L.; Byeon, C. H.; Struppe, J.; Maas, W.; Gronenborn, A. M.; Polenova, T. Fast Magic-Angle Spinning 19F NMR Spectroscopy of HIV-1 Capsid Protein Assemblies. Angew Chem Int Ed Engl 2018, 57 (50), 16375-16379. DOI: 10.1002/anie.201809060.
  29. Quinn, C. M.; Wang, M.; Polenova, T. NMR of Macromolecular Assemblies and Machines at 1 GHz and Beyond: New Transformative Opportunities for Molecular Structural Biology. Methods Mol Biol 2018, 1688, 1-35. DOI: 10.1007/978-1-4939-7386-6_1.
  30. Quinn, C. M.; Wang, M.; Fritz, M. P.; Runge, B.; Ahn, J.; Xu, C.; Perilla, J. R.; Gronenborn, A. M.; Polenova, T. Dynamic regulation of HIV-1 capsid interaction with the restriction factor TRIM5α identified by magic-angle spinning NMR and molecular dynamics simulations. Proc Natl Acad Sci U S A 2018, 115 (45), 11519-11524. DOI: 10.1073/pnas.1800796115.
  31. Lu, M.; Sarkar, S.; Wang, M.; Kraus, J.; Fritz, M.; Quinn, C. M.; Bai, S.; Holmes, S. T.; Dybowski, C.; Yap, G. P. A.; et al. F Magic Angle Spinning NMR Spectroscopy and Density Functional Theory Calculations of Fluorosubstituted Tryptophans: Integrating Experiment and Theory for Accurate Determination of Chemical Shift Tensors. J Phys Chem B 2018, 122 (23), 6148-6155. DOI: 10.1021/acs.jpcb.8b00377.
  32. Fritz, M.; Quinn, C. M.; Wang, M.; Hou, G.; Lu, X.; Koharudin, L. M. I.; Struppe, J.; Case, D. A.; Polenova, T.; Gronenborn, A. M. Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MM. Phys Chem Chem Phys 2018, 20 (14), 9543-9553. DOI: 10.1039/c8cp00647d.
  33. Wang, M.; Quinn, C. M.; Perilla, J. R.; Zhang, H.; Shirra, R.; Hou, G.; Byeon, I. J.; Suiter, C. L.; Ablan, S.; Urano, E.; et al. Quenching protein dynamics interferes with HIV capsid maturation. Nat Commun 2017, 8 (1), 1779. DOI: 10.1038/s41467-017-01856-y.
  34. Struppe, J.; Quinn, C. M.; Lu, M.; Wang, M.; Hou, G.; Lu, X.; Kraus, J.; Andreas, L. B.; Stanek, J.; Lalli, D.; et al. Expanding the horizons for structural analysis of fully protonated protein assemblies by NMR spectroscopy at MAS frequencies above 100 kHz. Solid State Nucl Magn Reson 2017, 87, 117-125. DOI: 10.1016/j.ssnmr.2017.07.001.
  35. Quinn, C. M.; Polenova, T. Structural biology of supramolecular assemblies by magic-angle spinning NMR spectroscopy. Q Rev Biophys 2017, 50, e1. DOI: 10.1017/S0033583516000159.
  36. Fritz, M.; Quinn, C. M.; Wang, M.; Hou, G.; Lu, X.; Koharudin, L. M. I.; Polenova, T.; Gronenborn, A. M. Toward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin. J Phys Chem B 2017, 121 (15), 3574-3585. DOI: 10.1021/acs.jpcb.6b09479.
  37. Suiter, C. L.; Quinn, C. M.; Lu, M.; Hou, G.; Zhang, H.; Polenova, T. MAS NMR of HIV-1 protein assemblies. J Magn Reson 2015, 253, 10-22. DOI: 10.1016/j.jmr.2014.12.009.
  38. Quinn, C. M.; Lu, M.; Suiter, C. L.; Hou, G.; Zhang, H.; Polenova, T. Magic angle spinning NMR of viruses. Prog Nucl Magn Reson Spectrosc 2015, 86-87, 21-40. DOI: 10.1016/j.pnmrs.2015.02.003.
  39. Quinn, C.; McDermott, A. Quantifying conformational dynamics using solid-state R1ρ experiments. Journal of Magnetic Resonance 2012, 222, 1-7, Article. DOI: 10.1016/j.jmr.2012.05.014.
  40. Quinn, C.; McDermott, A. Monitoring conformational dynamics with solid-state R1ρ experiments. Journal of Biomolecular Nmr 2009, 45 (1-2), 5-8, Article. DOI: 10.1007/s10858-009-9346-7.