EPR determination of the Co(II)-free radical magnetic geometry of the “doubleT” species arising in a coenzyme B-12-enzyme reaction

Buettner, Garry R.; Coffman, Robert E.

doi:10.1016/0005-2744(77)90042-0

Cited by 53 publications

(23 citation statements)

References 12 publications

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“…The "new" approach to sirnulation appears to have been first used by Coffman [4] and later by Buettner and Coffman [23] using Eq. (2) as basis.…”

Section: More Recent Developmentsmentioning

confidence: 99%

EPR spectroscopy of poorly characterized systems: A historical and current view

Pilbrow

1994

Appl. Magn. Reson.

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Modeling of the CW-EPR spectra due to transition metal ions in non-crystalline systems grew in sophistication from the early 1960's until fairly recently. A number of important effects have been introduced into the simulation of CW spectra over the past decade or so.These include allowance for local strain effects, the so-called "g-strain" and correlated "g-A strain", the latter especially important in multifrequency spectroscopy. Limits have been reached in what is reasonable by way of guesses regarding the underlying lineshape function and further information can only be sought via ENDOR or ESEEM experiments in favourable cases. A clear understanding of the simplest way to describe field swept EPR via a master equation derived in the frequency domain will be reviewed in which asymmetric field swept fines sometimes occur naturally as a consequence of the theory. The paper will provide a review of the history of computer simulations and various statistical approaches to correlation effects covering examples as diverse as proteins and glasses. It is hoped that sufficient progress will have been achieved with a new Bruker ESP 380 pulsed spectrometer that some new results can also be reported.

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“…The "new" approach to sirnulation appears to have been first used by Coffman [4] and later by Buettner and Coffman [23] using Eq. (2) as basis.…”

Section: More Recent Developmentsmentioning

confidence: 99%

EPR spectroscopy of poorly characterized systems: A historical and current view

Pilbrow

1994

Appl. Magn. Reson.

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“…However, to date it has not been possible to obtain single crystals for X-ray structure determinations. At the same time ir is well known that orientational and distance dependences of spinspin interactions may alter the EPR spectra of individual components of a * On leave Institute of Chemical Kinetics and Combustion RAS, Novosibirsk, 630090, Russian Federation coupled system, and examples of using EPR to solve similar structural problems have been described [5][6][7][8][9][10][11][12][13][14]. Therefore, we have turned to EPR spectroscopy to experimentally determine the intermetallic distance and the relative orientation of the two metal centers of I and II.…”

Section: Introductionmentioning

confidence: 99%

EPR studies of weakly coupled oxomolybdenum (V) and low-spin iron (III) porphyrin centers

et al. 1995

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Novel compounds containing two S = 1/2 coupled spin centers (Mo(V) and low spin Fe(III)) have been investigated in detail by X-and Q-band EPR spectroscopy, spectral simulation and molecular modelling calculations. For one system with a Mo-Fe distance of ~9.4 A the dominant dipolar coupling allows distinction among structures that are consistent with molecular modelling calculations. For the second system with a Mo-Fe of ~7.9 A the exchange interaction is dominant (0.5 < J < 3.0 GHz). These coupled systems are preliminary benchmarks for using EPR to investigate the Mo-Fe interaction in sulfite oxidase.

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“…This approach has been used by many investigators to obtain metrical information on spin-labeled biomolecules (1). Others have studied the closely related problem of metal -organic radical interactions in vitamin BI2-dependent enzyme reactions also seeking metrical information (4,5).…”

Section: Introductionmentioning

confidence: 99%

Metal-nitroxyl interactions. 25. Exchange interactions via saturated linkages in spin-labeled porphyrins

More¹,

Eaton²

1982

Can. J. Chem.

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A series of spin-labeled copper porphyrins has been prepared in which nitroxyl radicals are attached toa porphyrin pyrrole ring by propionamide and propionate ester linkages. The solution epr spectra at room temperature indicate that the values of the electron ..spin-electron spin-coipling constant, J , for these compounds are in the range 4 to 18 G, dependingon the solvent and the size of the nitroxyl ring. Below -45°C two isomers with different values of J were observed in the epr spectra of two of the compounds. Variable temperature epr spectra were also analyzed for analogous spin-labeled copper porphyrins which have cis and trans acrylic ester and acrylamide linkages between the porphyrin and the nitroxyl ring.

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EPR determination of the Co(II)-free radical magnetic geometry of the “doubleT” species arising in a coenzyme B-12-enzyme reaction

Cited by 53 publications

References 12 publications

EPR spectroscopy of poorly characterized systems: A historical and current view

EPR spectroscopy of poorly characterized systems: A historical and current view

EPR studies of weakly coupled oxomolybdenum (V) and low-spin iron (III) porphyrin centers

Metal-nitroxyl interactions. 25. Exchange interactions via saturated linkages in spin-labeled porphyrins

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