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	A time-dependent density functional theory investigation of the spectroscopic properties of the beta-subunit in C-phycocyanin
	Ren, Yanliang ; Wan, Jian ; Xu, Xin ; Xu X(徐昕) ; Zhang, Qingye ; Yang, Guangfu
	2006-08
英文摘要	By using time-dependent density functional theory combined with the polarizable continuum model, a satisfactory assignment of the absorption and circular dichroism spectra and energy transfer flow of the beta-subunit in C-phycocyanin (C-PC) was achieved when the protonation of beta-84 and beta-155 phycocyanobilin (PCB) and their interaction with the protein moiety in C-PC have been taken into account. We attribute the main peak for both beta-84 and beta-155 as arising from the pi electron excitation of the pyrrole rings and the shoulder peak as arising from the charge transfer from the asparate residue to PCBH+. The satisfactory agreement between theory and experiment suggests that Forster resonance theory prevails such that energy transfer occurs from beta(s)(beta-155) to beta(f)(beta-84).
语种	英语
出版者	AMER CHEMICAL SOC
内容类型	期刊论文
源URL	[http://dx.doi.org/doi:10.1021/jp064734v]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Ren, Yanliang,Wan, Jian,Xu, Xin,et al. A time-dependent density functional theory investigation of the spectroscopic properties of the beta-subunit in C-phycocyanin[J],2006.
APA	Ren, Yanliang,Wan, Jian,Xu, Xin,徐昕,Zhang, Qingye,&Yang, Guangfu.(2006).A time-dependent density functional theory investigation of the spectroscopic properties of the beta-subunit in C-phycocyanin..
MLA	Ren, Yanliang,et al."A time-dependent density functional theory investigation of the spectroscopic properties of the beta-subunit in C-phycocyanin".(2006).

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