1H and 13C Hyperfine Coupling Constants of the Tryptophanyl Cation Radical in Aqueous Solution from Microsecond Time-Resolved CIDNP Full article
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The Journal of Physical Chemistry B
ISSN: 1520-6106 |
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| Output data | Year: 2007, Volume: 111, Number: 38, Pages: 11221-11227 Pages count : 7 DOI: 10.1021/Jp073385h | ||||||||||
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Abstract:
Relative values of the H-1 and C-13 isotropic hyperfine couplings in the cationic oxidized tryptophan radical TrpH(center dot+) in aqueous solution are determined. The data are obtained from the photo-CIDNP (chemically induced dynamic nuclear polarization) enhancements observed in the microsecond time-resolved NMR spectra of the diamagnetic products of photochemical reactions in which TrpH(center dot+) is a transient intermediate. The method is validated using the tyrosyl neutral radical Tyr(center dot), whose H-1 and C-13 hyperfine couplings have previously been determined by electron paramagnetic resonance spectroscopy. Good agreement is found with hyperfine coupling constants for TrpH(center dot+) calculated using density functional theory methods but only if water molecules are explicitly included in the calculation.
Cite:
Kiryutin A.S.
, Morozova O.B.
, Kuhn L.T.
, Yurkovskaya A.V.
, Hore P.J.
1H and 13C Hyperfine Coupling Constants of the Tryptophanyl Cation Radical in Aqueous Solution from Microsecond Time-Resolved CIDNP
The Journal of Physical Chemistry B. 2007. V.111. N38. P.11221-11227. DOI: 10.1021/Jp073385h WOS OpenAlex
1H and 13C Hyperfine Coupling Constants of the Tryptophanyl Cation Radical in Aqueous Solution from Microsecond Time-Resolved CIDNP
The Journal of Physical Chemistry B. 2007. V.111. N38. P.11221-11227. DOI: 10.1021/Jp073385h WOS OpenAlex
Dates:
| Submitted: | May 3, 2007 |
| Published online: | Sep 1, 2007 |
| Published print: | Sep 27, 2007 |
Identifiers:
| Web of science: | WOS:000249655800019 |
| OpenAlex: | W2000464836 |