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	Multiscale evaluation of pore curvature effects on protein structure in nanopores
	Hao, Dong-Xia1; Huang, Yong-Dong1; Wang, Kang2; Wei, Yu-Ping1; Zhou, Wei-Qing1; Li, Juan1; Ma, Guang-Hui1,3; Su, Zhi-Guo1,3
刊名	JOURNAL OF MATERIALS CHEMISTRY B
	2014
卷号	2期号:13页码:1770-1778
关键词	hydrophobic interaction chromatography liquid-chromatography silica nanoparticles porous microspheres globular-proteins binding behavior adsorption lysozyme stability size
ISSN号	2050-750X
其他题名	J. Mat. Chem. B
中文摘要	Protein structure in nanopores is an important determinant in porous substrate utilization in biotechnology and materials science. To date, accurate residue details of pore curvature induced protein binding and unfolding were still unknown. Here, a multiscale ensemble of chromatography, NMR hydrogen and deuterium (H/D) exchange, confocal scanning and molecular docking simulations was combined to obtain the protein adsorption information induced by pore size and curvature. Lysozyme and polystyrene microspheres within pores in the 14-120 nm range were utilized as models. With pore size increasing, the bound lysozyme presented a tendency of significantly decreased retention, less unfolding and fewer interacted sites. However, such a significant dependence between pore curvature and protein size only existed in a limited micro-pore range comparable to protein sizes. The mechanism behind the above events could be attributed to the diverse protein interaction area determined by pore curvature and size change, by models calculating the binding of lysozyme onto surfaces. Another surface of opposite curvature for nanoparticles was also calculated and compared, the rules were similar but with opposite direction and such a critical size also existed. These studies of proteins on curved interfaces may ultimately help to guide the design of novel porous materials and assist in the discrimination of the target protein from molecular banks.
英文摘要	Protein structure in nanopores is an important determinant in porous substrate utilization in biotechnology and materials science. To date, accurate residue details of pore curvature induced protein binding and unfolding were still unknown. Here, a multiscale ensemble of chromatography, NMR hydrogen and deuterium (H/D) exchange, confocal scanning and molecular docking simulations was combined to obtain the protein adsorption information induced by pore size and curvature. Lysozyme and polystyrene microspheres within pores in the 14-120 nm range were utilized as models. With pore size increasing, the bound lysozyme presented a tendency of significantly decreased retention, less unfolding and fewer interacted sites. However, such a significant dependence between pore curvature and protein size only existed in a limited micro-pore range comparable to protein sizes. The mechanism behind the above events could be attributed to the diverse protein interaction area determined by pore curvature and size change, by models calculating the binding of lysozyme onto surfaces. Another surface of opposite curvature for nanoparticles was also calculated and compared, the rules were similar but with opposite direction and such a critical size also existed. These studies of proteins on curved interfaces may ultimately help to guide the design of novel porous materials and assist in the discrimination of the target protein from molecular banks.
WOS标题词	Science & Technology ; Technology
类目[WOS]	Materials Science, Biomaterials
研究领域[WOS]	Materials Science
关键词[WOS]	HYDROPHOBIC INTERACTION CHROMATOGRAPHY ; LIQUID-CHROMATOGRAPHY ; SILICA NANOPARTICLES ; POROUS MICROSPHERES ; GLOBULAR-PROTEINS ; BINDING BEHAVIOR ; ADSORPTION ; LYSOZYME ; STABILITY ; SIZE
收录类别	SCI
原文出处	://WOS:000332481700003
语种	英语
WOS记录号	WOS:000332481700003
公开日期	2014-05-06
内容类型	期刊论文
版本	出版稿
源URL	[http://ir.ipe.ac.cn/handle/122111/8145]
专题	过程工程研究所_研究所（批量导入）
作者单位	1.Chinese Acad Sci, Inst Proc Engn, Natl Key Lab Biochem Engn, Beijing 100190, Peoples R China 2.Hebei Univ Technol, Chem Engn Sch, Tianjin 300130, Peoples R China 3.Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Tianjin 300072, Peoples R China
推荐引用方式 GB/T 7714	Hao, Dong-Xia,Huang, Yong-Dong,Wang, Kang,et al. Multiscale evaluation of pore curvature effects on protein structure in nanopores[J]. JOURNAL OF MATERIALS CHEMISTRY B,2014,2(13):1770-1778.
APA	Hao, Dong-Xia.,Huang, Yong-Dong.,Wang, Kang.,Wei, Yu-Ping.,Zhou, Wei-Qing.,...&Su, Zhi-Guo.(2014).Multiscale evaluation of pore curvature effects on protein structure in nanopores.JOURNAL OF MATERIALS CHEMISTRY B,2(13),1770-1778.
MLA	Hao, Dong-Xia,et al."Multiscale evaluation of pore curvature effects on protein structure in nanopores".JOURNAL OF MATERIALS CHEMISTRY B 2.13(2014):1770-1778.

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