期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 117, 期 38, 页码 10974-10986出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp3110997
关键词
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资金
- European Social Grant under the Global Grant Measure
- UK EPSRC [EP/H024697/1]
- Royal Society [2009/R4]
- EPSRC [EP/H024697/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/H024697/1] Funding Source: researchfish
Photoprotective non-photochemical quenching (NPQ) in higher plants is the result of the formation of energy quenching traps in the light-harvesting antenna of photosystem II (PSII). It has been proposed that this quenching trap is a lutein molecule closely associated with the chlorophyll terminal emitter of the major light-harvesting complex LHCII. We have used a combination of time-dependent density functional theory (TD-DFT) and the semiempirical MNDO-CAS-CI method to model the chlorophyll-lutein energy transfer dynamics of the highly quenched crystal structure of LHCII. Our calculations reveal that the incoherent hopping of energy from Chla612 to the short-lived, dipole forbidden 2(1)Ag(-) state of lutein620 accounts for the strong fluorescence quenching observed in these crystals. This adds weight to the argument that the same dissipative pathway is responsible for in vivo NPQ.
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