NDLI: Vibrational mode frequency calculations of chlorophyll-d for assessing (P740$^{+}$-P740) FTIR difference spectra obtained using photosystem I particles from Acaryochloris marina

Content Provider	Springer Nature Link
Author	Hastings, Gary Wang, Ruili
Copyright Year	2007
Abstract	Acaryochloris marina is an oxygen-evolving organism that utilizes chlorophyll-d for light induced photochemistry. In photosystem I particles from Acaryochloris marina, the primary electron donor is called P740, and it is thought that P740 consist of two chlorophyll-d molecules. (P740$^{+}$-P740) FTIR difference spectra have been produced, and vibrational features that are specific to chlorophyll-d (and not chlorophyll-a) were observed, supporting the idea that P740 consists chlorophyll-d molecules. Although bands in the (P740$^{+}$-P740) FTIR difference spectra were assigned specifically to chlorophyll-d, how these bands shifted, and how their intensities changed, upon cation formation was never considered. Without this information it is difficult to draw unambiguous conclusions from the FTIR difference spectra. To gain a more detailed understanding of cation induced shifting of bands associated with vibrational modes of P740 we have used density functional theory to calculate the vibrational properties of a chlorophyll-d model in the neutral, cation and anion states. These calculations are shown to be of considerable use in interpreting bands in (P740$^{+}$-P740) FTIR difference spectra. Our calculations predict that the 3$^{1}$ formyl C–H mode of chlorophyll-d upshifts/downshifts upon cation/anion formation, respectively. The mode intensity also decreases/increases upon cation/anion formation, respectively. The cation induced bandshift of the 3$^{1}$ formyl C–H mode of chlorophyll-d is also strongly dependant on the dielectric environment of the chlorophyll-d molecules. With this new knowledge we reassess the interpretation of bands that were assigned to 3$^{1}$ formyl C–H modes of chlorophyll-d in (P740$^{+}$-P740) FTIR difference spectra. Considering our calculations in combination with (P740$^{+}$-P740) FTIR DS we find that the most likely conclusions are that P740 is a dimeric Chl-d species, in an environment of low effective dielectric constant (∼2–8). In the P740$^{+}$ state, charge is asymmetrically distributed over the two Chl-d pigments in a roughly 60:40 ratio.
Starting Page	55
Ending Page	62
Page Count	8
File Format	PDF
ISSN	01668595
Journal	Photosynthesis Research
Volume Number	95
Issue Number	1
e-ISSN	15735079
Language	English
Publisher	Springer Netherlands
Publisher Date	2007-08-21
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Chlorophyll Chlorophyll-d Density functional theory Fourier transform infrared Normal-mode Vibrational frequencies Formyl group Plant Physiology
Content Type	Text
Resource Type	Article
Subject	Cell Biology Plant Science Medicine Biochemistry

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Modified molecular interactions of the pheophytin and plastoquinone electron acceptors in photosystem II of chlorophyll d-containing Acaryochloris marina as revealed by FTIR spectroscopy

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Photo-Oxidation of P740, the Primary Electron Donor in Photosystem I from Acaryochloris marina

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Vibrational mode frequency calculations of chlorophyll-d for assessing (P740$^{+}$-P740) FTIR difference spectra obtained using photosystem I particles from Acaryochloris marina

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