1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP.
Relative values of the 1H and 13C isotropic hyperfine couplings in the cationic oxidized tryptophan radical TrpH*+ 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 N...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
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2007
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| _version_ | 1797051542616932352 |
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| author | Kiryutin, A Morozova, O Kuhn, LT Yurkovskaya, A Hore, P |
| author_facet | Kiryutin, A Morozova, O Kuhn, LT Yurkovskaya, A Hore, P |
| author_sort | Kiryutin, A |
| collection | OXFORD |
| description | Relative values of the 1H and 13C isotropic hyperfine couplings in the cationic oxidized tryptophan radical TrpH*+ 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*+ is a transient intermediate. The method is validated using the tyrosyl neutral radical Tyr*, whose 1H and 13C hyperfine couplings have previously been determined by electron paramagnetic resonance spectroscopy. Good agreement is found with hyperfine coupling constants for TrpH*+ calculated using density functional theory methods but only if water molecules are explicitly included in the calculation. |
| first_indexed | 2024-03-06T18:20:58Z |
| format | Journal article |
| id | oxford-uuid:06494cee-fef1-48c8-bcfa-9c48eb6b1f51 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T18:20:58Z |
| publishDate | 2007 |
| record_format | dspace |
| spelling | oxford-uuid:06494cee-fef1-48c8-bcfa-9c48eb6b1f512022-03-26T09:01:39Z1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:06494cee-fef1-48c8-bcfa-9c48eb6b1f51EnglishSymplectic Elements at Oxford2007Kiryutin, AMorozova, OKuhn, LTYurkovskaya, AHore, PRelative values of the 1H and 13C isotropic hyperfine couplings in the cationic oxidized tryptophan radical TrpH*+ 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*+ is a transient intermediate. The method is validated using the tyrosyl neutral radical Tyr*, whose 1H and 13C hyperfine couplings have previously been determined by electron paramagnetic resonance spectroscopy. Good agreement is found with hyperfine coupling constants for TrpH*+ calculated using density functional theory methods but only if water molecules are explicitly included in the calculation. |
| spellingShingle | Kiryutin, A Morozova, O Kuhn, LT Yurkovskaya, A Hore, P 1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP. |
| title | 1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP. |
| title_full | 1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP. |
| title_fullStr | 1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP. |
| title_full_unstemmed | 1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP. |
| title_short | 1H and 13C hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time-resolved CIDNP. |
| title_sort | 1h and 13c hyperfine coupling constants of the tryptophanyl cation radical in aqueous solution from microsecond time resolved cidnp |
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