Crystallization and preliminary X-ray study of alkaline alanine racemase from Bacillus pseudofirmus OF4

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	Crystallization and preliminary X-ray study of alkaline alanine racemase from Bacillus pseudofirmus OF4
	Ju, JS ; Qi, JX ; Xu, SJ ; Ohnishi, K ; Benedik, MJ ; Xue, YF ; Ma, YH
刊名	ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS
	2009
卷号	65 页码:166
关键词	PURIFICATION GERMINATION CRYSTALS
ISSN号	1744-3091
通讯作者	Ma, YH: Chinese Acad Sci, Inst Microbiol, State Key Lab Microbial Resources, Beijing 100101, Peoples R China.
中文摘要	We theoretically investigate the mechanism of chemical enhancement of surface-enhanced resonance Roman scattering (SERRS) of para-aminothiophenol (PATP)/metal complexes and metal/PATP/metal junctions. The method of charge difference density is used to visualize intracluster excitation and charge transfer (CT) between PATP and metal during the process of resonant electronic transitions. It is found that the selective enhancement of the b(2) mode in SERRS spectra result not only from Albrecht's A term (the Frank-Condon term), but also from the Herzberg-Teller term (Albrecht's B mechanism) via resonant CT For the metal/PATP/metal junctions, the calculated results reveal that the Roman spectrum is of SERRS nature and the nontotally symmetric b(2) mode is strongly enhanced at the incident wavelength of 1064 nm when Au and Ag nanoparticles are the first and second layer, respectively, and the dominant enhancement mechanism is the Herzberg-Teller term in chemical enhancement via tunneling charge transfer (intervalence electron transfer from the Ag cluster to the Au cluster). When the first and second layers were inverted (i.e. the Ag and Au nanoparticles are the first and second layers, respectively), the Roman spectrum at on incident wavelength of 1064 nm is due to normal Roman scattering, and the nontotally symmetric b(2) mode is not strongly enhanced. Our theoretical results not only support the experimental findings, but also provide a clear physical interpretation.
收录类别	SCI
资助信息	China Postdoctoral Science Foundation [20060400109]; K. C. Wong Education Foundation, Hong Kong; Ministry of Sciences and Technology of China [2004CB719605, 2007CB714301, 2007AA021306]
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/35438]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Ju, JS,Qi, JX,Xu, SJ,et al. Crystallization and preliminary X-ray study of alkaline alanine racemase from Bacillus pseudofirmus OF4[J]. ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS,2009,65:166.
APA	Ju, JS.,Qi, JX.,Xu, SJ.,Ohnishi, K.,Benedik, MJ.,...&Ma, YH.(2009).Crystallization and preliminary X-ray study of alkaline alanine racemase from Bacillus pseudofirmus OF4.ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS,65,166.
MLA	Ju, JS,et al."Crystallization and preliminary X-ray study of alkaline alanine racemase from Bacillus pseudofirmus OF4".ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS 65(2009):166.