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Solid-State 17O NMR Spectroscopy of Organic and Biological Molecules

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Modern Magnetic Resonance

Abstract

This chapter describes the latest advances in the field of solid-state 17O NMR spectroscopy of organic and biological molecules. Selected examples in the following areas are highlighted: (1) new oxygen-containing functional groups, (2) low-barrier hydrogen bonds, (3) acyl-enzyme intermediates, (4) probing molecular motion in organic solids, and (5) paramagnetic coordination compounds.

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References

  1. Zhu J, Ye E, Terskikh V, Wu G. Solid-state 17O NMR spectroscopy of large protein-ligand complexes. Angew Chem Int Ed. 2010;49:8399–402.

    Article  Google Scholar 

  2. Wu G. Recent developments in solid state NMR of quadrupolar nuclei and applications to biological systems. Biochem Cell Biol. 1998;76:429–42.

    Article  Google Scholar 

  3. Lemaitre V, Smith ME, Watts A. A review of oxygen-17 solid-state NMR of organic materials-towards biological applications. Solid State Nucl Magn Reson. 2004;26:215–35.

    Article  Google Scholar 

  4. Wu G. Solid-state 17O NMR studies of organic and biological molecules. Prog Nucl Magn Reson Spectrosc. 2008;52:118–69.

    Article  Google Scholar 

  5. Yamada K. Recent applications of solid-state 17O NMR. Annu Rep NMR Spectrosc. 2010;70:115–58.

    Article  Google Scholar 

  6. Wong A, Poli F. Solid-state 17O NMR studies of biomolecules. Annu Rep NMR Spectrosc. 2014;83:145–220.

    Article  Google Scholar 

  7. Wu G. Solid-state 17O NMR studies of organic and biological molecules: recent advances and future directions. Solid State Nucl Magn Reson. 2016;73:1–14.

    Article  Google Scholar 

  8. Theodorou V, Skobridis K, Alivertis D, Gerothanassis IP. Synthetic methodologies in organic chemistry involving incorporation of [17O] and [18O] isotopes. J Label Compd Radiopharm. 2014;57:481–508.

    Article  Google Scholar 

  9. Kong K, Tang A, Wang R, Ye E, Terskikh V, Wu G. Are the amide bonds in N-acyl imidazoles twisted? A combined solid-state 17O NMR, crystallographic, and computational study. Can J Chem. 2015;93:451–8.

    Article  Google Scholar 

  10. Lu J, Kong X, Terskikh V, Wu G. Solid-state 17O NMR of oxygen-nitrogen singly bonded compounds: hydroxylammonium chloride and sodium trioxodinitrite (Angeli’s salt). J Chem Phys A. 2015;119:8133–8.

    Article  Google Scholar 

  11. Gao Y, Toubaei A, Kong X, Wu G. Acidity and hydrogen exchange dynamics of iron(II)-bound nitroxyl in aqueous solution. Angew Chem Int Ed. 2014;53:11547–51.

    Article  Google Scholar 

  12. Wu G, Zhu JF, Mo X, Wang RY, Terskikh V. Solid-state 17O NMR and computational studies of C-nitrosoarene compounds. J Am Chem Soc. 2010;132:5143–55.

    Article  Google Scholar 

  13. Harris RK. Applications of solid-state NMR to pharmaceutical polymorphism and related matters. J Pharm Pharmacol. 2007;59:225–39.

    Article  Google Scholar 

  14. Kong X, Shan M, Terskikh V, Hung I, Gan Z, Wu G. Solid-state 17O NMR of pharmaceutical compounds: Salicylic acid and aspirin. J Phys Chem B. 2013;117:9643–54.

    Article  Google Scholar 

  15. Vogt FG, Yin H, Forcino RG, Wu L. 17O solid-state NMR as a sensitive probe of hydrogen bonding in crystalline and amorphous solid forms of diflunisal. Mol Pharm. 2013;10:3433–46.

    Article  Google Scholar 

  16. Kong X, Terskikh V, Toubaei A, Wu G. A solid-state 17O NMR study of platinum-carboxylate complexes: carboplatin and oxaliplatin. Can J Chem. 2015;93:945–53.

    Article  Google Scholar 

  17. Lucier BEG, Reidel AR, Schurko RW. Multinuclear solid-state NMR of square-planar platinum complexes-cisplatin and related systems. Can J Chem. 2011;89:919–37.

    Article  Google Scholar 

  18. Michaelis VK, Keeler EG, Ong TC, Craigen KN, Penzel S, Wren JEC, Kroeker S, Griffin RG. Structural insights into bound water in crystalline amino acids: experimental and theoretical 17O NMR. J Phys Chem B. 2015;119:8024–36.

    Article  Google Scholar 

  19. Zhang QW, Zhang HM, Usha MG, Wittebort RJ. 17O NMR and crystalline hydrates. Solid State Nucl Magn Reson. 1996;7:147–54.

    Article  Google Scholar 

  20. Wu G, Rovnyak D, Huang PC, Griffin RG. High-resolution oxygen-17 NMR spectroscopy of solids by multiple-quantum magic-angle spinning. Chem Phys Lett. 1997;277:79–83.

    Article  Google Scholar 

  21. Keeler EG, Michaelis VK, Griffin RG. 17O NMR investigation of water structure and dynamics. J Phys Chem B. 2016;120:7851–8.

    Article  Google Scholar 

  22. Nour S, Widdifield CM, Kobera L, Burgess KMN, Errulat D, Terskikh VV, Bryce DL. Oxygen-17 NMR spectroscopy of water molecules in solid hydrates. Solid State Nucl Magn Reson. 2016;94:189–97.

    Google Scholar 

  23. Kong X, Brinkman A, Terskikh V, Wasylishen RE, Bernard GM, Duan Z, Wu Q, Wu G. Proton probability distribution in the O···H···O low-barrier hydrogen bond: a combined solid-state NMR and quantum chemical computational study of dibenzoylmethane and curcumin. J Phys Chem B. 2016;120:11692–704.

    Article  Google Scholar 

  24. Thomas LH, Florence AJ, Wilson CC. Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction. New J Chem. 2009;33:2486–90.

    Article  Google Scholar 

  25. Parimita SP, Ramshankar YV, Suresh S, Row TNG. Redetermination of curcumin: (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one. Acta Crystallogr E. 2007;63:o860–2.

    Article  Google Scholar 

  26. Tang AW, Kong X, Terskikh V, Wu G. Solid-state 17O NMR of unstable acyl-enzyme intermediates: a direct probe of hydrogen bonding interactions in the oxyanion hole of serine proteases. J Phys Chem B. 2016;120:11142–50.

    Article  Google Scholar 

  27. Hedstrom L. Serine protease mechanism and specificity. Chem Rev. 2002;102:4501–24.

    Article  Google Scholar 

  28. Ba Y, Ripmeester JA, Ratcliffe CI. Water molecular reorientation in ice and tetrahydrofuran clathrate hydrate from line shape analysis of 17O spin-echo NMR spectra. Can J Chem. 2010;89:1055–64.

    Article  Google Scholar 

  29. Kong X, O’Dell LA, Terskikh V, Ye E, Wang R, Wu G. Variable temperature 17O NMR studies allow quantitative evaluation of molecular dynamics in organic solids. J Am Chem Soc. 2012;134:14609–17.

    Article  Google Scholar 

  30. Wang WD, Lucier BEG, Terskikh VV, Wang W, Huang Y. Wobbling and hopping: Studying dynamics of CO2 adsorbed in metal-organic frameworks via 17O solid-state NMR. J Phys Chem Lett. 2014;5:3360–5.

    Article  Google Scholar 

  31. Adjei-Acheamfour M, Böhmer R. Second-order quadrupole interaction based detection of ultra-slow motions: tensor operator framework for central-transition spectroscopy and the dynamics in hexagonal ice as an experimental example. J Magn Reson. 2014;249:141–9.

    Article  Google Scholar 

  32. Adjei-Acheamfour M, Storek M, Beerwerth J, Böhmer R. Two-dimensional second-order quadrupolar exchange powder spectra for nuclei with half-integer spins. Calculations and an experimental example using oxygen NMR. Solid State Nucl Magn Reson. 2015;71:96–107.

    Article  Google Scholar 

  33. Nava M, Lopez N, Müller P, Wu G, Nocera DG, Cummins CC. Anion-receptor mediated oxidation of carbon monoxide to carbonate by peroxide dianion. J Am Chem Soc. 2015;137:14562–5.

    Article  Google Scholar 

  34. Otting G. Protein NMR using paramagnetic ions. Annu Rev Biophys. 2010;39:387–405.

    Article  Google Scholar 

  35. Jaroniec CP. Solid-state nuclear magnetic resonance structural studies of proteins using paramagnetic probes. Solid State Nucl Magn Reson. 2012;43/44:1–13.

    Article  Google Scholar 

  36. Kong X, Terskikh VV, Khade RL, Yang L, Rorick A, Zhang Y, He P, Huang Y, Wu G. Solid-state 17O NMR of paramagnetic coordination compounds. Angew Chem Int Ed. 2015;54:4753–7.

    Article  Google Scholar 

  37. Wong A, Smith ME, Terskikh V, Wu G. Obtaining accurate chemical shifts for all magnetic nuclei (1H, 13C, 17O and 27Al) in tris(2,4-pentanedionato-O,O′)aluminium(III): A solid-state NMR case study. Can J Chem. 2011;89:1087–94.

    Article  Google Scholar 

  38. Deligiannakis Y, Louloudi M, Hadjiliadis N. Electron spin echo envelope modulation (ESEEM) spectroscopy as a tool to investigate the coordination environment of metal centers. Coord Chem Rev. 2001;204:1–112.

    Article  Google Scholar 

  39. Rapatskiy L, Cox N, Savitsky A, Ames WM, Sander J, Nowaczyk MM, Rögner M, Boussac A, Neese F, Messinger J, Lubitz W. Detection of the water-binding sites of the oxygen-evolving complex of photosystem II using W-band 17O electron–electron double resonance-detected NMR spectroscopy. J Am Chem Soc. 2012;134:16619–34.

    Article  Google Scholar 

  40. Cox N, Lubitz W, Savitsky A. W-band ELDOR-detected NMR (EDNMR) spectroscopy as a versatile technique for the characterisation of transition metal-ligand interactions. Mol Phys. 2013;111:2788–808.

    Article  Google Scholar 

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Authors and Affiliations

  1. Department of Chemistry, Queen’s University, 90 Bader Lane, Kingston, ON, Canada, K7L 3N6

    Gang Wu

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  1. Gang Wu
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Correspondence to Gang Wu .

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Editors and Affiliations

  1. Royal Society of Chemistry, London, United Kingdom

    Graham A. Webb

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Wu, G. (2017). Solid-State 17O NMR Spectroscopy of Organic and Biological Molecules. In: Webb, G. (eds) Modern Magnetic Resonance. Springer, Cham. https://doi.org/10.1007/978-3-319-28275-6_70-1

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  • DOI: https://doi.org/10.1007/978-3-319-28275-6_70-1

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-28275-6

  • Online ISBN: 978-3-319-28275-6

  • eBook Packages: Springer Reference Chemistry and Mat. ScienceReference Module Physical and Materials ScienceReference Module Chemistry, Materials and Physics

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