A Rigorous Evaluation of Spin-Hamiltonian Parameters and Linewidth from a Polycrystalline EPR Spectrum

Journal of Magnetic Resonance

Volumn 140, Issue 1, 1999, Pages 179-188

  Misra, Sushil K ^a  

^a Gina Cody School of Engineering and Computer Science   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

MANGANESE DERIVATIVE;

ARTICLE; CHEMISTRY; CHI SQUARE DISTRIBUTION; COMPUTER SIMULATION; ELECTRON SPIN RESONANCE; MAGNETISM; REGRESSION ANALYSIS;

CHI-SQUARE DISTRIBUTION; COMPUTER SIMULATION; ELECTRON SPIN RESONANCE SPECTROSCOPY; LEAST-SQUARES ANALYSIS; MAGNETICS; MANGANESE COMPOUNDS;

EID: 0033185634     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.1999.1816     Document Type: Article

References (30)

1. S. K. Misra, J. Magn. Reson. 23, 403 (1976).
2. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
3. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
4. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
5. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
6. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
7. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
8. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
9. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
10. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
11. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
12. 3+ ions in bovine α-lactalbumin complexes, see G. Musci, G. H. Reed, and L. Berliner, J. Inorg. Biochem. 26, 229 (1986); J. F. Boas, Electron paramagnetic resonance of copper proteins, in "Copper Proteins and Copper Enzymes" (R. Lontie, Ed.), Vol. 1, p. 6, CRC Press, Boca Raton, FL (1984). Additional references on metalloproteins are H. Beinert, Electron paramagnetic resonance in biochemistry: Past, present and future, Biochem. Soc. Trans. 13, 542 (1985); G. Palmer, The electron paramagnetic resonance of metalloproteins, Biochem. Soc. Trans. 13, 548 (1985); G. R. Hanson and J. R. Pilbrow, Metalloproteins, in "Electron Spin Resonance" (M. C. R. Symons, Ed.), Vol. 10B, p. 93, The Royal Society of Chemistry, London (1987); W. E. Blumberg and J. Peisach, Paramagnetic resonance studies of copper proteins, Life Chem. Rep. 5, 5 (1987); G. R. Hanson and G. L. Wilson, Metalloproteins, Electron Spin Reson. 11B, 209 (1988); J. J. Villafranca and F. M. Raushel, NMR and EPR investigations of bimetalloenzymes, Adv. Bio-Inorg. Chem. 4, 289 (1990).
13. G. H. Reed and G. D. Markham, in "Biological Magnetic Resonance" (L. J. Berliner and J. Reuben, Eds.), Vol. 6, pp. 73-142, Plenum, New York (1984).
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17. A. R. Coffino and J. Peisach, J. Magn. Reson. B 111, 127 (1996).
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20. S. K. Misra, Physica B 240, 183 (1997).
21. C. P. Poole, Jr., "Electron Spin Resonance: A Comprehensive Treatise on Experimental Techniques," 1st ed., p. 776, Wiley-Interscience, New York (1967).
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24. S. K. Misra and V. Vasilopoulos, J. Phys. C Condens. Matter 13, 1083 (1980).
25. -v)]. It is noted that the algorithm for the JACOBI subroutine given by Press et al. is erroneous. The correct JACOBI subroutine is available on the website http://netlib2.cs.utk.edu/.
26. -v)]. It is noted that the algorithm for the JACOBI subroutine given by Press et al. is erroneous. The correct JACOBI subroutine is available on the website http://netlib2.cs.utk.edu/.
27. R. M. Wood, D. M. Stucker, W. Bryan Lynch, S. K. Misra, and J. H. Freed, to be published.
28. S. K. Misra, Magn. Reson. Rev. 10, 285 (1986).
29. To take into account hyperfine structure, i.e., electron-nuclear spin-coupled systems, in the evaluation of parameters from single-crystal EPR spectra using the LSF technique see S. K. Misra, Phys. B 121, 193 (1983).
30. S. K. Misra and S. Subramanian, J. Phys. C: Condens. Matter 15, 7199 (1982).