Nuclear spin relaxation in isotropic and anisotropic media

Progress in Nuclear Magnetic Resonance Spectroscopy

Volumn 57, Issue 2, 2010, Pages 111-158

  Nicholas, Matthew P ^a   Eryilmaz, Ertan ^b,c   Ferrage, Fabien ^a,d   Cowburn, David ^a   Ghose, Ranajeet ^b,c  

^a NEW YORK STRUCTURAL BIOLOGY CENTER   (United States)

^b CITY COLLEGE OF NEW YORK   (United States)

^c CITY UNIVERSITY OF NEW YORK   (United States)

^d ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

Chemical shift; Dipolar coupling; Rotational diffusion; Spin relaxation; Stochastic processes

Indexed keywords

DIPOLAR COUPLINGS; ROTATIONAL DIFFUSION; SPIN RELAXATION; STOCHASTIC PROCESS; STOCHASTIC PROCESSES;

AMIDES; ANISOTROPIC MEDIA; CHEMICAL SHIFT; DIFFUSION IN SOLIDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RANDOM PROCESSES; SCINTILLATION; SPECTRAL DENSITY; STOCHASTIC SYSTEMS;

SPIN DYNAMICS;

ANISOTROPY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; REVIEW; STATISTICS; PROCEDURES;

ANISOTROPY; MAGNETIC RESONANCE SPECTROSCOPY; STOCHASTIC PROCESSES;

EID: 77954083765     PISSN: 00796565     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pnmrs.2010.04.003     Document Type: Review

References (91)

1. Abragam A. The Principles of Nuclear Magnetism (1996), Clarendon Press, Oxford
2. Cavanagh J., Fairbrother W.J., Palmer III A.G., Skelton N.J., and Rance M. Protein NMR Spectroscopy: Principles and Practice. second ed. (2007), Academic Press, New York
3. 2 for stochastic relaxation models. J. Stat. Phys. 49 (1987) 1029-1042
4. 1 even at finite temperature. J. Chem. Phys. 94 (1991) 4405-4410
5. Bloch F. Nuclear induction. Phys. Rev. 70 (1946) 460-474
6. Bloch F. Dynamical theory of nuclear induction. II. Phys. Rev. 102 (1956) 104-135
7. Bloch F. Generalized theory of relaxation. Phys. Rev. 105 (1957) 1206-1222
8. Wangsness R.K., and Bloch F. The dynamical theory of nuclear induction. Phys. Rev. 89 (1953) 728-739
9. Redfield A.G. On the theory of relaxation processes. IBM J. Res. Dev. 1 (1957) 19-31
10. Redfield A.G. The theory of relaxation processes. In: Waugh J. (Ed). Advances in Magnetic Resonance vol. 1 (1965), Academic Press, New York 1-32
11. McConnell J. The Theory of Nuclear Magnetic Relaxation in Liquids. first ed. (1987), Cambridge University Press, New York
12. Slitcher C.P. Principles of Magnetic Resonance. third ed. (1992), Springer-Verlag, New York
13. Grant D.M., and Brown R.A. Relaxation of coupled spins from rotational diffusion. In: Grant D.M., and Harris R. (Eds). Encyclopedia of Nuclear Magnetic Resonance (1996), Wiley, Chichester 4003-4018
14. Murali N., and Krishnan V. A primer for nuclear magnetic relaxation in liquids. Concepts Magn. Reson. A 17A (2003) 86-116
15. Goldman M. Quantum Description of High-Resolution NMR in Liquids (1991), Clarendon Press, Oxford
16. Clore G.M., Gronenborn A.M., Szabo A., and Tjandra N. Determining the magnitude of the fully asymmetric diffusion tensor from heteronuclear relaxation data in the absence of structural information. J. Am. Chem. Soc. 120 (1998) 4889-4890
17. 15N NMR relaxation in abl SH(32). Biochemistry 38 (1999) 10225-10230
18. Ghose R., Fushman D., and Cowburn D. Determination of the rotational diffusion tensor of macromolecules in solution from NMR relaxation data with a combination of exact and approximate methods-application to the determination of interdomain orientation in multidomain proteins. J. Magn. Reson. 149 (2001) 204-217
19. Cohen-Tannoudji C., Diu B., and Laloë F. Quantum Mechanics. first ed. vol. 1 (1977), Wiley, New York
20. Fano U. Description of states in quantum mechanics by density matrix and operator techniques. Rev. Mod. Phys. 29 (1957) 74-93
21. Haar D.T. Theory and applications of the density matrix. Rep. Progr. Phys. 24 (1961) 304-362
22. Hubbard P.S. Quantum-mechanical and semiclassical forms of the density operator theory of relaxation. Rev. Mod. Phys. 33 (1961) 249-264
23. Lynden-Bell R.M. The calculation of line shapes by density matrix methods. Prog. NMR Spectrosc. 2 (1967) 163-204
24. Ernst R.R., Bodenhausen G., and Wokaun A. Principles of Nuclear Magnetic Resonance in One and Two Dimensions (1990), Oxford University Press
25. Sørensen O., Eich G., Levitt M., Bodenhausen G., and Ernst R. Product operator formalism for the description of NMR pulse experiments. Prog. NMR Spectrosc. 16 (1984) 163-192
26. Ghose R. Average Liouvillian theory in nuclear magnetic resonance - principles, properties, and applications. Concepts Magn. Reson. 12 (2000) 152-172
27. Levante T.O., and Ernst R.R. Homogeneous versus inhomogeneous quantum-mechanical master equations. Chem. Phys. Lett. 241 (1995) 73-78
28. Levitt M.H., and Bari L.D. Steady state in magnetic resonance pulse experiments. Phys. Rev. Lett. 69 (1992) 3124-3127
29. Levitt M.H., and Bari L.D. The homogeneous master equation and the manipulation of relaxation networks. Bull. Magn. Reson. 16 (1994) 94-114
30. Kay L.E., and McClung R.E.D. A product operator description of AB and ABX spin systems. J. Magn. Reson. 77 (1988) 258-273
31. Schwabl F. Advanced Quantum Mechanics. fourth ed. (2007), Springer-Verlag, Berlin
32. 13C NMR spectroscopy of methyl groups in very high molecular weight proteins and protein complexes. J. Am. Chem. Soc. 125 (2003) 10420-10428
33. Goldman M. Formal theory of spin-lattice relaxation. J. Magn. Reson. 149 (2001) 160-187
34. Werbelow L., and London R.E. Dynamic frequency shift. Concepts Magn. Reson. 8 (1996) 325-338
35. Werbelow L.G. NMR dynamic frequency shifts and the quadrupolar interaction. J. Chem. Phys. 70 (1979) 5381-5383
36. Werbelow L.G., and London R.E. Dynamic nuclear magnetic resonance frequency shifts for spin 1/2 nuclei coupled to efficiently relaxed spin >1/2 nuclei. J. Chem. Phys. 102 (1995) 5181-5189
37. Ghose R., and Prestegard J.H. Electron spin-nuclear spin cross-correlation effects on multiplet splittings in paramagnetic proteins. J. Magn. Reson. 128 (1997) 138-143
38. Ferrage F., Eykyn T.R., and Bodenhausen G. Coherence transfer by single-transition cross-polarization: quantitation of cross-correlation effects in nuclear magnetic resonance. J. Chem. Phys. 113 (2000) 1081-1087
39. Mehring M. High Resolution NMR Spectroscopy in Solids (1976), Springer-Verlag, New York
40. Smith S.A., Palke W.E., and Gerig J.T. The Hamiltonians of NMR part I. Concepts Magn. Reson. 4 (1992) 107-144
41. Smith S.A., Palke W.E., and Gerig J.T. The Hamiltonians of NMR part II. Concepts Magn. Reson. 4 (1992) 181-204
42. Smith S.A., Palke W.E., and Gerig J.T. The Hamiltonians of NMR part III. Concepts Magn. Reson. 5 (1993) 151-177
43. Kowalewski J., and Werbelow L. Evaluation of spin relaxation induced by chemical shielding anisotropy: a comment on the importance of the antisymmetric component. J. Magn. Reson. 128 (1997) 144-148
44. Anet F.A.L., and O'leary D.J. The shielding tensor part II: understanding its strange effects on relaxation. Concepts Magn. Reson. 4 (1992) 35-52
45. Jackson J.D. Classical Electrodynamics. third ed. (1998), Wiley, New York
46. Dong R.Y. Nuclear Magnetic Resonance of Liquid Crystals. second ed. (1997), Springer, New York
47. Tarroni R., and Zannoni C. On the rotational diffusion of asymmetric molecules in liquid crystals. J. Chem. Phys. 95 (1991) 4550-4564
48. Maier W., and Saupe A. Eine einfache molekulare theorie des nematischen kristallinflussigen zustandes. Z. Naturforsch. A 13 (1958) 564-566
49. Arfken G.B., and Weber H.J. Mathematical Methods for Physicists: A Comprehensive Guide. sixth ed. (2005), Academic Press, Burlington, MA
50. Sakurai J.J. Modern Quantum Mechanics. Revised ed. (1993), Addison Wesley, Reading, MA
51. Shankar R. Principles of Quantum Mechanics. second ed. (1994), Plenum, New York
52. Bax A. Weak alignment offers new NMR opportunities to study protein structure and dynamics. Protein Sci. 12 (2003) 1-16
53. Prestegard J.H., Bougault C.M., and Kishore A.I. Residual dipolar couplings in structure determination of biomolecules. Chem. Rev. 104 (2004) 3519-3540
54. Zweckstetter M. NMR: prediction of molecular alignment from structure using the PALES software. Nat. Protoc. 3 (2008) 679-690
55. Hubbard P.S. Some properties of correlation functions of irreducible tensor operators. Phys. Rev. 180 (1969) 319-326
56. Goldman M. Interference effects in the relaxation of a pair of unlike spin-1/2 nuclei. J. Magn. Reson. 60 (1984) 437-452
57. Kumar A., Grace R.C.R., and Madhu P.K. Cross-correlations in NMR. Prog. NMR Spectrosc. 37 (2000) 191-319
58. Palmer III A.G. NMR probes of molecular dynamics: overview and comparison with other techniques. Annu. Rev. Biophys. Biomol. Struct. 30 (2001) 129-155
59. Case D.A. Molecular dynamics and NMR spin relaxation in proteins. Acc. Chem. Res. 35 (2002) 325-331
60. Kay L.E. NMR studies of protein structure and dynamics. J. Magn. Reson. 173 (2005) 193-207
61. Lipari G., and Szabo A. Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity. J. Am. Chem. Soc. 104 (1982) 4546-4559
62. Lipari G., and Szabo A. Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 2. Analysis of experimental results. J. Am. Chem. Soc. 104 (1982) 4559-4570
63. Clore G.M., Szabo A., Bax A., Kay L.E., Driscoll P.C., and Gronenborn A.M. Deviations from the simple two-parameter model-free approach to the interpretation of nitrogen-15 nuclear magnetic relaxation of proteins. J. Am. Chem. Soc. 112 (1990) 4989-4991
64. Baber J.L., Szabo A., and Tjandra N. Analysis of slow interdomain motion of macromolecules using NMR relaxation data. J. Am. Chem. Soc. 123 (2001) 3953-3959
65. Nodet G., and Abergel D. An overview of recent developments in the interpretation and prediction of fast internal protein dynamics. Eur. Biophys. J. 36 (2007) 985-993
66. 15N NMR relaxation in proteins. J. Am. Chem. Soc. 123 (2001) 3055-3063
67. 15N NMR relaxation. J. Mol. Biol. 315 (2002) 155-170
68. Facelli J.C. Calculations of chemical shieldings: theory and applications. Concepts Magn. Reson. 20A (2004) 42-69
69. Lipscomb W. The chemical shift and other second-order magnetic and electric properties of small molecules. In: Waugh J. (Ed). Advances in Magnetic Resonance vol. 2 (1966), Academic Press, New York 137-176
70. Casabianca L.B., and de Dios A.C. Ab initio calculations of NMR chemical shifts. J. Chem. Phys. 128 (2008) 052201-052210
71. Kutzelnigg W., Fleischer U., and Schindler M. The IGLO-method: ab initio calculation and interpretation of NMR chemical shifts and magnetic susceptibilities. In: Diehl P., Günther H., Kosfield R., and Seelig J. (Eds). NMR: Basic Principles and Progress vol. 23 (1990), Springer-Verlag, Berlin 165-262
72. Oldfield E. Chemical shifts in amino acids, peptides, and proteins: from quantum chemistry to drug design. Annu. Rev. Phys. Chem. 53 (2002) 349-378
73. In: Tossell J.A. (Ed). Nuclear Magnetic Shielding and Molecular Structure. first ed. (1993), Kluwer Academic, Dordrecht
74. Gillespie D.T. Markov Processes: An Introduction for Physical Scientists (1991), Academic Press, San Diego
75. Brink D.M., and Satchler G.R. Angular Momentum. third ed. (1994), Oxford University Press, USA
76. Zare R.N. Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics. first ed. (1988), Wiley, New York
77. Rose M. Elementary Theory of Angular Momentum (1957), Wiley, New York
78. Silver B.L. Irreducible Tensor Methods: An Introduction for Chemists (1976), Academic Press, New York
79. Goldstein H., Poole C.P., and Safko J.L. Classical Mechanics. third ed. (2001), Addison-Wesley, Reading, MA
80. Wolf A.A. Rotation operators. Am. J. Phys. 37 (1969) 531-536
81. Wigner E.P. Group Theory and its Application to the Quantum Mechanics of Atomic Spectra (1959), Academic Press, New York
82. Favro L.D. Theory of the rotational Brownian motion of a free rigid body. Phys. Rev. 119 (1960) 53-62
83. Favro L.D. Rotational Brownian motion. In: Burgess R. (Ed). Fluctuation Phenomena in Solids (1965), Academic Press, New York 79-101
84. Furry W.H. Isotropic rotational Brownian motion. Phys. Rev. 107 (1957) 7-13
85. Ferrarini A., Nordio P., and Moro G. Diffusion models for molecular motion in uniaxial mesophases. In: Luckhurst G.R., and Veracini C.A. (Eds). The Molecular Dynamics of Liquid Crystals (1994), Springer, New York 41-69
86. I. Kosztin, K. Schulten, Course Syllabus for 'Physics 8101: Non-Equilibrium Statistical Mechanics', University of Missouri-Columbia. Available from: , 2008.
87. Coffey W., Kalmykov Y.P., and Waldron J.T. The Langevin Equation: With Applications to Stochastic Problems in Physics, Chemistry, and Electrical Engineering. second ed. (2004), World Scientific, River Edge, NJ
88. Kampen N.V. Stochastic Processes in Physics and Chemistry. third ed. (2007), Elsevier, Amsterdam
89. Gardiner C. Handbook of Stochastic Methods: For Physics, Chemistry and the Natural Sciences. third ed. (2004), Springer, New York
90. Beloborodov I., Orekhov V., and Arseniev A. Effect of coupling between rotational and translational Brownian motions on NMR spin relaxation: consideration using green function of rigid body diffusion. J. Magn. Reson. 132 (1998) 328-329
91. Hwang L., and Freed J.H. Dynamic effects of pair correlation functions on spin relaxation by translational diffusion in liquids. J. Chem. Phys. 63 (1975) 4017-4025