The DOI matches its Crossref record; 12 of the 12 references it cites were found in a registry or an index.
Origin, Nature, and Fate of the Fluorescent State of the Green Fluorescent Protein Chromophore at the CASPT2//CASSCF Resolution
Abstract
Ab initio CASPT2//CASSCF relaxation path computations are employed to determine the intrinsic (e.g., in vacuo) mechanism underlying the rise and decay of the luminescence of the anionic form of the green fluorescent protein (GFP) fluorophore. Production and decay of the fluorescent state occur via a two-mode reaction coordinate. Relaxation along the first (totally symmetric) mode leads to production of the fluorescent state that corresponds to a planar species. The second (out-of-plane) mode controls the fluorescent state decay and mainly corresponds to a barrierless twisting of the fluorophore phenyl moiety. While a "space-saving" hula-twist conical intersection decay channel is found to lie only 5 kcal mol(-1) above the fluorescent state, the direct involvement of a hula-twist deformation in the decay is not supported by our data. The above results indicate that the ultrafast fluorescence decay observed for the GFP chromophore in solution is likely to have an intrinsic origin. The possible effects of the GFP protein cavity on the fluorescence lifetime of the investigated chromophore model are discussed.
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Cites
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Intermolecular energy transfer in the bioluminescent system of Aequorea
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Chemical nature of the light emitter of the Aequorea green fluorescent protein
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Structure of the chromophore of Aequorea green fluorescent protein
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A Computational Strategy for Organic Photochemistry
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Probing the Rhodopsin Cavity with Reduced Retinal Models at the CASPT2//CASSCF/AMBER Level of Theory
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Isomerization Through Conical Intersections
Levine, B. G., & Martínez, T. J. (2007) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.57.032905.104612 · Cited by 873
Peng, X.-L., Ruiz-Barragan, S., Li, Z.-S., Li, Q.-S., & Blancafort, L. (2016) · Journal of Materials Chemistry C · doi:10.1039/c5tc03322e · Cited by 181
Metadata
- Authors
- Martin, M. E., Negri, F., & Olivucci, M.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2004-04-13
- Volume
- 126
- Issue
- 17
- Pages
- 5452-5464
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W1964612599
- Cited by
- 318
- References
- 12
- FWCI
- 11.57
- Type
- journal article
- Language
- en
- Open access
- closed
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