The DOI matches its Crossref record; 30 of the 30 references it cites were found in a registry or an index.
Calculations of Spectroscopic Properties of the LH2 Bacteriochlorophyll−Protein Antenna Complex from Rhodopseudomonas acidophila
Abstract
Absorption and CD spectra of a photosynthetic bacterial antenna complex are calculated on the basis of the crystal structure of the LH2 (B800-850) complex from Rhodopseudomonas acidophila . This complex contains a ring of 18 tightly coupled bacteriochlorophylls (B850) and a ring of 9 more weakly coupled bacteriochlorophylls (B800). Molecular orbitals for bacteriochlorophylls with the three different geometries seen in the crystal structure are obtained by semiempirical quantum mechanical calculations (QCFF/PI). Exciton and charge-transfer interactions are introduced at the level of configuration interactions. Particular attention is paid to the dependence of these interactions on the interatomic distances and on dielectric screening. Absorption band shapes are treated with the aid of vibronic parameters and homogeneous line widths that have been measured by hole burning (Reddy, N. R. S., et al., Photochem. Photobiol. 1993, 57, 35−39). Inhomogeneous broadening due to diagonal disorder in the monomeric and charge-transfer transition energies is included by a Monte Carlo method. The calculations successfully reproduce the main features of measured absorption and CD spectra of the complex. The results support the view that the excited states of the B850 bacteriochlorophylls are extensively delocalized over the ring of pigments while the excited states of the B800 bacteriochlorophylls are much more localized.
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Citations
Cites
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Cited by
How to study proteins by circular dichroism
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Multidimensional Femtosecond Correlation Spectroscopies of Electronic and Vibrational Excitations
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Self-citationArchitecture and mechanism of the light-harvesting apparatus of purple bacteria
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Ultrafast excitation energy transfer dynamics in photosynthetic pigment–protein complexes
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Metadata
- Authors
- Alden, R. G., Johnson, E., Nagarajan, V., Parson, W. W., Law, C. J., & Cogdell, R. G.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 1997-06-01
- Volume
- 101
- Issue
- 23
- Pages
- 4667-4680
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W1993914107
- Cited by
- 259
- References
- 30
- FWCI
- 14.79
- Type
- journal article
- Language
- en
- Open access
- closed
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- Alden, R. G., Johnson, E., Nagarajan, V., Parson, W. W., Law, C. J., & Cogdell, R. G. (1997). Calculations of Spectroscopic Properties of the LH2 Bacteriochlorophyll−Protein Antenna Complex from Rhodopseudomonas acidophila. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp970005r
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