Dipole-dipole coupling constant for a directly bonded CH pair—A carbon-13 relaxation study

Journal of Magnetic Resonance

Volumn 157, Issue 2, 2002, Pages 171-177

  Kowalewski, Jozef ^a   Effemey, Maria ^a   Jokisaari, Jukka ^b  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b UNIVERSITY OF OULU   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE;

EID: 0036383252     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.2002.2590     Document Type: Article

References (56)

1. J. Kowalewski Nuclear spin relaxation in diamagnetic fluids. Part 2. Organic systems and solutions of macromolecules and aggregates Ann. Rep. NMR Spectr. 23 1991 289 374
2. G.C. Levy D.J. Kerwood D.M. Grant R.K. Harris Encyclopedia of Nuclear Magnetic Resonance 1996 Wiley Chichester 1147
3. V.A. Daragan K.H. Mayo Motional model analyses of protein and peptide dynamics using C-13 and N-15 NMR relaxation Progr. Nucl. Magn. Reson. Spectr. 31 1997 63 105
4. A.G. Palmer Probing molecular motion by NMR Curr. Opin. Struct. Biol. 7 1997 732 737
5. D.A. Torchia D.M. Grant R.K. Harris Encyclopedia of Nuclear Magnetic Resonance 1996 Wiley Chichester 3785
6. O. Pschorn H.W. Spiess Deuterium lineshape study of tetrahedral jumps in solid hexamethylenetetramine J. Magn. Reson. 39 1980 217 228
7. 14N NMR techniques for studying slow molecular motions J. Chem. Phys. 107 1997 346 354
8. Y.S. Kye G.S. Harbison N-14 NMR single-crystal study of hexamethylenetetramine Magn. Reson. Chem. 37 1999 299 302
9. G.W. Smith Proton magnetic resonance studies on hexamethyl-enetetramine—Structure, molecular reorientation, and impurity diffusion J. Chem. Phys. 36 1962 3081 3093
10. A. Amanzi P.L. Barili P. Chidichimo C.A. Veracini Proton magnetic resonance spectrum of hexamethylenetetramine (HMTA) in oriented mesophases Chem. Phys. Lett. 44 1976 110 113
11. B. Parbhoo O.B. Nagy Multinuclear approach to establish molecular dynamics in solution by nuclear magnetic relaxation J. Phys. Chem. 89 1985 239 241
12. D.J. Craik G.C. Levy A. Lombardo Carbon-13 and nitrogen-15 NMR of polycyclic polyamines. A study of solution nitrogen-hydrogen hydrogen bonding and protonation J. Phys. Chem. 86 1982 3893 3900
13. G. Jeffrey A. Domenicano I. Hargittai Accurate Molecular Structures, Their Determinations and Importance 1992 Oxford Univ. Press Oxford 270
14. M. Llinas W. Meier K. Wüthrich A carbon-13 spin lattice relaxation of alumichrome at 25.1 MHz and 90.5 MHz Biochim. Biophys. Acta 492 1977 1 11
15. K. Dill A. Allerhand Small errors in CH bond lengths may cause large errors in rotational correlation times determined from carbon-13 spin-lattice relaxation measurements J. Am. Chem. Soc. 101 1979 4376 4378
16. M.F. Brown Unified picture for spin-lattice relaxation of lipid bilayers and biomembranes J. Chem. Phys. 80 1984 2832 2836
17. N.M. Szeverenyi R.R. Vold R.L. Vold Mechanisms of nuclear magnetic relaxation in cyanoacetylene Chem. Phys. 18 1976 23 30
18. R.R. Vold P.H. Kobrin R.L. Vold Frequency dependent nuclear relaxation of chloroform in isotropic MBBA J. Chem. Phys. 69 1978 3430 3431
19. 2H NMR relaxation studies J. Magn. Reson. 68 1986 296 302
20. E.R. Henry A. Szabo Influence of vibrational motion on solid state line shapes and NMR relaxation J. Chem. Phys. 82 1985 4753 4761
21. L.C. Snyder S. Meiboom Molecular structure of cyclopropane from its proton NMR in a nematic solvent J. Chem. Phys. 47 1967 1480 1487
22. S. Sýkora J. Vogt H. Bösiger P. Diehl Vibrational corrections in NMR spectra of oriented molecules J. Magn. Reson. 36 1979 53 60
23. T. Terao H. Miura A. Saika Dipolar SASS NMR spectroscopy: Separation of heteronuclear dipolar powder patterns in rotating solids J. Chem. Phys. 85 1986 3816 3826
24. T. Nakai J. Ashida T. Terao Influence of small-amplitude motions on two-dimensional NMR powder patterns. Anisotropic vibrations in calcium formate Mol. Phys. 67 1989 839 847
25. Y. Ishii T. Terao S. Hayashi Theory and simulation of vibrational effects on structural measurements by solid-state NMR J. Chem. Phys. 107 1997 2760 2774
26. G. Lipari A. Szabo 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
27. J. Kowalewski G. Widmalm Multiple-field carbon-13 NMR relaxation study of cyclodextrins J. Phys. Chem. 98 1994 28 34
28. L. Mäler J. Lang G. Widmalm J. Kowalewski Multiple-field carbon-13 NMR relaxation investigation on melezitose Magn. Reson. Chem. 33 1995 541 548
29. L. Mäler G. Widmalm J. Kowalewski Dynamical behavior of carbohydrates as studied by carbon-13 and proton nuclear spin relaxation J. Phys. Chem. 100 1996 17103 17110
30. L. Mäler G. Widmalm J. Kowalewski Motional properties of a pentasaccharide containing a 2,6-branched mannose residue as studied by 13C nuclear spin relaxation J. Biomol. NMR 7 1996 1 7
31. A. Kjellberg T. Rundlöf J. Kowalewski G. Widmalm Motional properties of two vicinally disubstituted trisaccharides as studied by multiple-field carbon-13 NMR relaxation J. Phys. Chem. B 102 1998 1013 1020
32. M. Effemey J. Lang J. Kowalewski Multiple-field carbon-13 and proton relaxation in sucrose in viscous solution Magn. Reson. Chem. 38 2000 1012 1018
33. T. Rundlöf R.M. Venable R.W. Pastor J. Kowalewski G. Widmalm Distinguishing anisotropy and flexibility of the pentasaccharide LNF- 1 in solution by carbon-13 NMR relaxation and hydrodynamic modeling J. Am. Chem. Soc. 121 1999 11847 11854
34. α effective bond lengths in a protein by NMR in a dilute liquid crystalline phase J. Am. Chem. Soc. 120 1998 12334 12341
35. M. Shultes R. Eisenhauer J.J. Dechter M. Johansson P. Kumar J. Kowalewski Multiple field carbon-13 NMR relaxation of calix[4]arene in solution Magn. Reson. Chem. 37 1999 799 804
36. A. Gryff-Keller S. Molchanov Carbon-13 and mercury-199 nuclear spin relaxation study on solution dynamics of the bis(phenylethynyl)mercury molecule and shielding anisotropy of its acetylenic carbon and mercury nuclei Magn. Reson. Chem. 38 2000 1,17 22
37. E.H. Hardy R. Witt A. Dölle M.D. Zeidler A new method for the determination of the dynamic isotope effect and the deuterium quadrupole coupling constant in liquids J. Magn. Reson. 134 1998 300 307
38. E.H. Hardy A. Zygar M.D. Zeidler Nuclear magnetic relaxation measurements on liquid acetonitrile and acetonitrile water mixtures Z. Phys. Chem. 214 2000 1633 1657
39. D.A. Case Calculations of NMR dipolar coupling strength in model peptides J. Biomol. NMR 15 1999 95 102
40. 3 spin systems J. Chem. Phys. 63 1975 4742 4749
41. L.G. Werbelow D.M. Grant Intramolecular dipolar relaxation in multispin systems Adv. Magn. Reson. 9 1977 189 299
42. 13C NMR J. Am. Chem. Soc. 108 1986 4259 4264
43. H. Kovacs S. Bagley J. Kowalewski Motional properties of two disaccharides in solutions as studied by carbon-13 relaxation and NOE outside of the extreme narrowing region J. Magn. Reson. 85 1989 530 541
44. M. Terpstra B.M. Craven R.F. Stewart Hexamethylenetetramine at 298 K: New refinements Acta Crystallogr. A49 1993 685 692
45. S.P. Kampermann T.M. Sabine B.M. Craven R.K. McMullan Hexamethylenetetramine: Extinction and thermal vibrations from neutron diffraction at six temperatures Acta Crystallogr. A51 1995 489 497
46. H.B. Bürgi S.C. Capelli H. Birkedal Anharmonicity in anisotropic displacement parameters Acta Crystallogr. A56 2000 425 435
47. I. Elvebredd S.J. Cyvin S.J. Cyvin Molecular Structures and Vibrations 1972 Elsevier Amsterdam 283
48. M.W. Thomas R.E. Ghosh Incoherent inelastic neutron scattering from hexamethylenetetramine and adamantane Mol. Phys. 29 1975 1489 1506
49. J.E. Bertie M. Solinas Infrared and Raman spectra and the vibrational assignment of hexamethyletetramine-h12 and -d12 J. Chem. Phys. 61 1974 1666 1677
50. C. Ammann P. Meier A.E. Merbach A simple multinuclear NMR thermometer J. Magn. Reson. 46 1982 319 321
51. 13C spin-lattice relaxation measurements by inversion-recovery J. Magn. Reson. 18 1975 199 204
52. J. Kowalewski A. Ericsson R. Vestin Determination of NOE factors using the dynamic Overhauser enhancement technique combined with a nonlinear least-squares fitting procedure J. Magn. Reson. 31 1978 165 169
53. A.G. Palmer N.J. Skelton W.J. Chazin P.E. Wright M. Rance Suppression of the effects of cross-correlation between dipolar and anisotropic chemical shift relaxation mechanisms in the measurement of spin-spin relaxation rates Mol. Phys. 75 1992 699 711
54. 2 values in proteins J. Magn. Reson. 97 1992 359 375
55. D.F. DeTar Computer Programs for Chemistry 1972 Academic Press New York p. 71
56. D. Wallach W.T. Huntress Anisotropic molecular rotation in liquid N,N-dimethylformamide by NMR J. Chem. Phys. 50 1969 1219 1227