Manipulating biomolecules with aqueous liquids confined within single-walled nanotubes.
Manipulating biomolecules with aqueous liquids confined within single-walled nanotubes.
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DOI：
10.1021/ja804586w
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发表时间：
2009-02
影响因子：
15
通讯作者：
P. Xiu;Bo Zhou;Wenpeng Qi;Hangjun Lu;Y. Tu;Haiping Fang
中科院分区：
文献类型：
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作者：
P. Xiu;Bo Zhou;Wenpeng Qi;Hangjun Lu;Y. Tu;Haiping Fang
将分子限制在纳米尺度的孔隙中，已成为开发体体系中没有的新动力学和制造新结构的重要方法。被包裹在纳米孔中的分子很难控制其位置和活性。在分子动力学模拟的基础上，我们利用一个外部电荷或一组外部电荷，实现了单壁纳米管内含水液体生物分子在空间和时间上的可控操纵。由于纳米管的单壁结构使得单壁纳米管内外电荷的静电相互作用足够强，同时由于电荷诱导的水偶极子取向有序限制在纳米通道内，使得水与外部电荷有很强的相互作用。这些设计有望作为分子特别是生物分子相互作用和化学反应的纳米管实验室，在纳米技术和生物技术中有着广泛的应用。
Confinement of molecules inside nanoscale pores has become an important method for exploiting new dynamics not happening in bulk systems and for fabricating novel structures. Molecules that are encapsulated in nanopores are difficult to control with respect to their position and activity. On the basis of molecular dynamics simulations, we have achieved controllable manipulation, both in space and time, of biomolecules with aqueous liquids inside a single-walled nanotube by using an external charge or a group of external charges. The remarkable manipulation abilities are attributed to the single-walled structure of the nanotube that the electrostatic interactions of charges inside and outside the single-walled nanotube are strong enough, and the charge-induced dipole-orientation ordering of water confined in the nanochannel so that water has a strong interaction with the external charge. These designs are expected to serve as lab-in-nanotube for the interactions and chemical reactions of molecules especially biomolecules, and have wide applications in nanotechnology and biotechnology.