The Calculated In Vitro and In Vivo Chlorophyll a Absorption Bandshape

Zucchelli, Giuseppe; Jennings, Robert C.; Garlaschi, Flavio M.; Cinque, Gianfelice; Bassi, Roberto; Cremonesi, O.

doi:10.1016/s0006-3495(02)75402-7

Cited by 51 publications

(65 citation statements)

References 74 publications

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“…[29]. Basic assumptions were as follows: since there is no simple analytical description of the form of an absorption band [31], for the approximation standard functions such as Gaussians, Lorentzians or their combination (Voigtians) were used. In the current paper, to approximate one experimental band 2-4 Gaussian subbands are used.…”

Section: Methodsmentioning

confidence: 99%

Analysis of absorption spectra of purple bacterial reaction centers in the near infrared region by higher order derivative spectroscopy

Mikhailyuk¹,

Knox²,

Paschenko³

et al. 2006

Biophysical Chemistry

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Section: Methodsmentioning

confidence: 99%

Analysis of absorption spectra of purple bacterial reaction centers in the near infrared region by higher order derivative spectroscopy

Mikhailyuk¹,

Knox²,

Paschenko³

et al. 2006

Biophysical Chemistry

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“…[142] The vibronic parameters obtained experimentally at low temperatures can also be employed in the simulation of absorption spectra at room temperature. [143] Vibronic structures of pigments in complexes at room temperature can be investigated by mutational deletion of the pigment binding site in the complex. [144] This opens a possibility to investigate how the protein affects the line shape and therefore the vibronic structure of the spectra.…”

Section: Vibronic Structurementioning

confidence: 99%

Quantum Chemical Description of Absorption Properties and Excited‐State Processes in Photosynthetic Systems

2011

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The theoretical description of the initial steps in photosynthesis has gained increasing importance over the past few years. This is caused by more and more structural data becoming available for light-harvesting complexes and reaction centers which form the basis for atomistic calculations and by the progress made in the development of first-principles methods for excited electronic states of large molecules. In this Review, we discuss the advantages and pitfalls of theoretical methods applicable to photosynthetic pigments. Besides methodological aspects of excited-state electronic-structure methods, studies on chlorophyll-type and carotenoid-like molecules are discussed. We also address the concepts of exciton coupling and excitation-energy transfer (EET) and compare the different theoretical methods for the calculation of EET coupling constants. Applications to photosynthetic light-harvesting complexes and reaction centers based on such models are also analyzed.

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“…As demonstrated by Zucchelli et al 44 , the S factors obtained via SHB allow for much better fit for the absorption spectra of Chl a in various solvents, than factors determined via fluorescence line-narrowing (FLN) spectroscopy.…”

Section: Calculated Absorption and Transient Hb Spectrummentioning

confidence: 99%

The CP43 Proximal Antenna Complex of Higher Plant Photosystem II Revisited: Modeling and Hole Burning Study. I

et al. 2008

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The CP43 core antenna complex of Photosystem II is known to possess two quasi-degenerate "red"-trap states [R. Jankowiak et al. J. Phys. Chem. B 2000, 104, 11805]. It has been suggested recently [V. Zazubovich and R. Jankowiak, J. Lum. 2007, 127, 245] that the site distribution functions (SDFs) of the red states (A and B) are uncorrelated and that narrow holes are burned in the subpopulations of chlorophylls (Chls) from states A and B that are the lowestenergy Chl in their complex and previously thought not to transfer energy. This model of uncorrelated excitation energy transfer (EET) between the quasi-degenerate bands is expanded by taking into account both electron-phonon and vibrational coupling. The model is applied to fit simultaneously absorption, emission, zero-phonon action, and transient hole burned (HB) spectra obtained for the CP43 complex with minimized contribution from aggregation. It is demonstrated that the above listed spectra can be well fitted using the uncorrelated EET model, providing strong evidence for the existence of efficient energy transfer between the two lowest energy states A and B (either from A to B or from B to A) in CP43. Possible candidate Chls for the low-energy A and B states are discussed, providing a link between CP43 structure and spectroscopy. Finally, we propose that persistent holes originate from regular NPHB accompanied by the redistribution of oscillator strength due to excitonic interactions, rather than photoconversion involving Chl-protein hydrogen bonding as suggested before [J.L. Hughes et al., Biochemistry 45, 12345, 2006]. In the accompanying paper (II) it is demonstrated that the model discussed in this manuscript is consistent with excitonic calculations, which also provide very good fits to both transient and persistent HB spectra obtained under non-line narrowing conditions.

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The Calculated In Vitro and In Vivo Chlorophyll a Absorption Bandshape

Cited by 51 publications

References 74 publications

Analysis of absorption spectra of purple bacterial reaction centers in the near infrared region by higher order derivative spectroscopy

Analysis of absorption spectra of purple bacterial reaction centers in the near infrared region by higher order derivative spectroscopy

Quantum Chemical Description of Absorption Properties and Excited‐State Processes in Photosynthetic Systems

The CP43 Proximal Antenna Complex of Higher Plant Photosystem II Revisited: Modeling and Hole Burning Study. I

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