Performance tuning non-uniform sampling for sensitivity enhancement of signal-limited biological NMR

详细信息    查看全文

• 作者：Melissa R. Palmer (1) r> Broc R. Wenrich (1) r> Phillip Stahlfeld (1) r> David Rovnyak (1) r>
• 关键词：Non ; uniform sampling ; Maximum entropy reconstruction ; Ubiquitin ; Natural products
• 刊名：Journal of Biomolecular NMR
• 出版年：2014
• 出版时间：April 2014
• 年：2014
• 卷：58
• 期：4
• 页码：303-314
• 全文大小：829 KB
• 参考文献：1. Barna JCJ, Laue ED, Mayger MR, Skilling J, Worrall SJP (1986) Reconstruction of phase-sensitive two-dimensional NMR-spectra using maximum-entropy. Biochem Soc Trans 14(6):1262-263 r> 2. Barna JCJ, Laue ED, Mayger MRS, Skilling J, Worrall SJP (1987) Exponential sampling, an alternative method for sampling in two-dimensional NMR experiments. J Magn Reson 73(1):69-7 r> 3. Donoho DL, Johnstone IM, Stern AS, Hoch JC (1990) Does the maximum entropy method improve sensitivity? Proc Natl Acad Sci USA 87(13):5066-068 rnal" href="http://dx.doi.org/10.1073/pnas.87.13.5066" target="_blank" title="It opens in new window">CrossRef r> 4. Eddy MT, Ruben D, Griffin RG, Herzfeld J (2012) Deterministic schedules for robust and reproducible non-uniform sampling in multidimensional NMR. J Magn Reson 214(1):296-01 rnal" href="http://dx.doi.org/10.1016/j.jmr.2011.12.002" target="_blank" title="It opens in new window">CrossRef r> 5. Ernst RR, Bodenhausen G, Wokaun A (1987) Principle of nuclear magnetic resonance in one and two dimensions. Oxford University Press, Oxford r> 6. Hilton BD, Martin GE (2010) Investigation of the experimental limits of small-sample heteronuclear 2D NMR. J Nat Prod 73(9):1465-469 rnal" href="http://dx.doi.org/10.1021/np100481m" target="_blank" title="It opens in new window">CrossRef r> 7. Hoch JC, Stern AS (1996) NMR data processing. Wiley, New York r> 8. Hoch JC, Maciejewski MW, Filipovic B (2008) Randomization improves sparse sampling in multidimensional NMR. J Magn Reson 193(2):317-20 rnal" href="http://dx.doi.org/10.1016/j.jmr.2008.05.011" target="_blank" title="It opens in new window">CrossRef r> 9. Hoch JC, Maciejewski MW, Mobli M, Schuyler AD, Stern AS (2014) Nonuniform sampling and maximum entropy reconstruction in multidimensional NMR. Acc Chem Res 47(2):708-17 r> 10. Hyberts SG, Takeuchi K, Wagner G (2010) Poisson-gap sampling and forward maximum entropy reconstruction for enhancing the resolution and sensitivity of non-uniform sampling. J Am Chem Soc 132(7):2145-147 rnal" href="http://dx.doi.org/10.1021/ja908004w" target="_blank" title="It opens in new window">CrossRef r> 11. Hyberts SG, Arthanari H, Wagner G (2012) Applications of non-uniform sampling and processing. Novel Sampling Approaches in Higher Dimensional NMR vol 316, pp 125-48 r> 12. Hyberts SG, Robson SA, Wagner G (2013) Exploring signal-to-noise ratio and sensitivity in non-iniformly sampled multi-dimensional NMR spectra. J Biomol NMR 55(2):167-78 rnal" href="http://dx.doi.org/10.1007/s10858-012-9698-2" target="_blank" title="It opens in new window">CrossRef r> 13. Kubat JA, Chou JJ, Rovnyak D (2007) Nonuniform sampling and maximum entropy reconstruction applied to the accurate measurement of residual dipolar couplings. J Magn Reson 186(2):201-11 rnal" href="http://dx.doi.org/10.1016/j.jmr.2007.01.022" target="_blank" title="It opens in new window">CrossRef r> 14. Kumar A, Brown CB, Donlan ME, Meier BU, Jeffs PW (1991) Optimization of two-dimensional NMR by matched accumulation. J Magn Reson 95(1):1- r> 15. Levitt MH, Bodenhausen G, Ernst RR (1984) Sensitivity of two-dimensional spectra. J Magn Reson 58:462-72 r> 16. Maciejewski MW, Qui HZ, Rujan I, Mobli M, Hoch JC (2009) Nonuniform sampling and spectral aliasing. J Magn Reson 199(1):88-3 rnal" href="http://dx.doi.org/10.1016/j.jmr.2009.04.006" target="_blank" title="It opens in new window">CrossRef r> 17. Maciejewski MW, Mobli M, Schuyler AD, Stern AS, Hoch JC (2012) Data sampling in multidimensional NMR: fundamentals and strategies. Top Curr Chem 316:49-7 rnal" href="http://dx.doi.org/10.1007/128_2011_185" target="_blank" title="It opens in new window">CrossRef r> 18. Mobli M, Maciejewski MW, Schuyler AD, Stern AS, Hoch JC (2012) Sparse sampling methods in multidimensional NMR. Phys Chem Chem Phys 14(31):10835-0843 rnal" href="http://dx.doi.org/10.1039/c2cp40174f" target="_blank" title="It opens in new window">CrossRef r> 19. Palmer M, Gupta RA, Richard M, Suiter CL, Hoch JC, Polenova T, Rovnyak D (2013) Application of nonuniform sampling for sensitivity enhancement of small molecule heteronuclear correlation NMR spectra. In: GE Martin, AJ Williams (eds) Modern NMR approach for the structure elucidation of natural products. RSC Publishing (accepted) r> 20. Paramasivam S, Suiter CL, Hou GJ, Sun SJ, Palmer M, Hoch JC, Rovnyak D, Polenova T (2012) Enhanced sensitivity by nonuniform sampling enables multidimensional MAS NMR spectroscopy of protein assemblies. J Phys Chem B 116(25):7416-427 rnal" href="http://dx.doi.org/10.1021/jp3032786" target="_blank" title="It opens in new window">CrossRef r> 21. Qiang W (2011) Signal enhancement for the sensitivity-limited solid state NMR expderiments using a continuous non-uniform acquisition scheme. J Magn Reson 213:171-75 rnal" href="http://dx.doi.org/10.1016/j.jmr.2011.08.028" target="_blank" title="It opens in new window">CrossRef r> 22. Rovnyak D, Hoch JC, Stern AS, Wagner G (2004) Resolution and sensitivity of high field nuclear magnetic resonance spectroscopy. J Biomol NMR 30(1):1-0 rnal" href="http://dx.doi.org/10.1023/B:JNMR.0000042946.04002.19" target="_blank" title="It opens in new window">CrossRef r> 23. Rovnyak D, Sarcone M, Jiang Z (2011) Sensitivity enhancement for maximally resolved two-dimensional NMR by nonuniform sampling. Magn Reson Chem 49(8):483-91 rnal" href="http://dx.doi.org/10.1002/mrc.2775" target="_blank" title="It opens in new window">CrossRef r> 24. Schmieder P, Stern AS, Wagner G, Hoch JC (1994) Improved resolution in triple-resonance spectra by nonlinear sampling in the constant-time domain. J Biomol NMR 4(4):483-90 rnal" href="http://dx.doi.org/10.1007/BF00156615" target="_blank" title="It opens in new window">CrossRef r> 25. Schmieder P, Stern AS, Wagner G, Hoch JC (1997) Quantification of maximum-entropy spectrum reconstructions. J Magn Reson 125(2):332-39 rnal" href="http://dx.doi.org/10.1006/jmre.1997.1117" target="_blank" title="It opens in new window">CrossRef r> 26. Stern AS, Li KB, Hoch JC (2002) Modern spectrum analysis in multidimensional NMR spectroscopy: comparison of linear-prediction extrapolation and maximum-entropy reconstruction. J Am Chem Soc 124(9):1982-993 rnal" href="http://dx.doi.org/10.1021/ja011669o" target="_blank" title="It opens in new window">CrossRef r> 27. Waudby CA, Christodoulou J (2012) An analysis of NMR sensitivity enhancements obtained using non-uniform weighted sampling, and the application to protein NMR. J Magn Reson 219:46-2 rnal" href="http://dx.doi.org/10.1016/j.jmr.2012.04.013" target="_blank" title="It opens in new window">CrossRef r>
• 作者单位：Melissa R. Palmer (1) r> Broc R. Wenrich (1) r> Phillip Stahlfeld (1) r> David Rovnyak (1) r>r>1. Department of Chemistry, Bucknell University, Lewisburg, PA, 17837, USA r>
• ISSN：1573-5001

文摘

Non-uniform sampling (NUS) has been established as a route to obtaining true sensitivity enhancements when recording indirect dimensions of decaying signals in the same total experimental time as traditional uniform incrementation of the indirect evolution period. Theory and experiments have shown that NUS can yield up to two-fold improvements in the intrinsic signal-to-noise ratio (SNR) of each dimension, while even conservative protocols can yield 20-0?% improvements in the intrinsic SNR of NMR data. Applications of biological NMR that can benefit from these improvements are emerging, and in this work we develop some practical aspects of applying NUS nD-NMR to studies that approach the traditional detection limit of nD-NMR spectroscopy. Conditions for obtaining high NUS sensitivity enhancements are considered here in the context of enabling 1H,15N-HSQC experiments on natural abundance protein samples and 1H,13C-HMBC experiments on a challenging natural product. Through systematic studies we arrive at more precise guidelines to contrast sensitivity enhancements with reduced line shape constraints, and report an alternative sampling density based on a quarter-wave sinusoidal distribution that returns the highest fidelity we have seen to date in line shapes obtained by maximum entropy processing of non-uniformly sampled data.