The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
The Ultrafast Photoisomerizations of Rhodopsin and Bathorhodopsin Are Modulated by Bond Length Alternation and HOOP Driven Electronic Effects
Abstract
Rhodopsin (Rh) and bathorhodopsin (bathoRh) quantum-mechanics/molecular-mechanics models based on ab initio multiconfigurational wave functions are employed to look at the light induced π-bond breaking and reconstitution occurring during the Rh → bathoRh and bathoRh → Rh isomerizations. More specifically, semiclassical trajectory computations are used to compare the excited (S(1)) and ground (S(0)) state dynamics characterizing the opposite steps of the Rh/bathoRh photochromic cycle during the first 200 fs following photoexcitation. We show that the information contained in these data provide an unprecedented insight into the sub-picosecond π-bond reconstitution process which is at the basis of the reactivity of the protein embedded 11-cis and all-trans retinal chromophores. More specifically, the data point to the phase and amplitude of the skeletal bond length alternation stretching mode as the key factor switching the chromophore to a bonding state. It is also confirmed/found that the phase and amplitude of the hydrogen-out-of-plane mode controls the stereochemical outcome of the forward and reverse photoisomerizations.
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Cites
The Retinal Conformation and its Environment in Rhodopsin in Light of a New 2.2 Å Crystal Structure
Okada, T., Sugihara, M., Bondar, A.-N., Elstner, M., Entel, P., & Buss, V. (2004) · Journal of Molecular Biology · doi:10.1016/j.jmb.2004.07.044 · Cited by 1,049
G Protein–Coupled Receptor Rhodopsin
Palczewski, K. (2006) · Annual Review of Biochemistry · doi:10.1146/annurev.biochem.75.103004.142743 · Cited by 764
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Microbial and Animal Rhodopsins: Structures, Functions, and Molecular Mechanisms
Ernst, O. P., Lodowski, D. T., Elstner, M., Hegemann, P., Brown, L. S., & Kandori, H. (2014) · Chemical Reviews · doi:10.1021/cr4003769 · Cited by 1,153
OpenMolcas: From Source Code to Insight
Fdez. Galván, I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., et al. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b00532 · Cited by 1,114
Self-citationDye chemistry with time-dependent density functional theory
Laurent, A. D., Adamo, C., & Jacquemin, D. (2014) · Phys. Chem. Chem. Phys. · doi:10.1039/c3cp55336a · Cited by 398
Functions, Therapeutic Applications, and Synthesis of Retinoids and Carotenoids
Álvarez, R., Vaz, B., Gronemeyer, H., & de Lera, Á. R. (2014) · Chemical Reviews · doi:10.1021/cr400126u · Cited by 260
Metadata
- Authors
- Schapiro, I., Ryazantsev, M. N., Frutos, L. M., Ferré, N., Lindh, R., & Olivucci, M.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-02-22
- Volume
- 133
- Issue
- 10
- Pages
- 3354-3364
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2026946788
- Cited by
- 171
- References
- 2
- FWCI
- 6.19
- Type
- journal article
- Language
- en
- Open access
- closed
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- Schapiro, I., Ryazantsev, M. N., Frutos, L. M., Ferré, N., Lindh, R., & Olivucci, M. (2011). The Ultrafast Photoisomerizations of Rhodopsin and Bathorhodopsin Are Modulated by Bond Length Alternation and HOOP Driven Electronic Effects. Journal of the American Chemical Society. https://doi.org/10.1021/ja1056196
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