Influence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations
Influence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations
复制标题
原子模拟金红石纳米级表面曲率对纤连蛋白吸附的影响
DOI：
10.1007/s10853-017-1458-y
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发表时间：
2017-09
影响因子：
4.5
通讯作者：
Gu Junfeng
中科院分区：
文献类型：
--
作者：
Wang Xinyu;Li Zheng;Li Hongxia;Ruan Shilun;Gu Junfeng
Atomistic molecular dynamics simulations are performed to investigate the influence of rutile with nanoscale surface curvature on the adsorption of fibronectin (FN-III10). To obtain the preferred adsorption orientation of FN-III10, the adsorption processes of 12 different initial orientations of FN-III10 on rutile with ideal surface are firstly simulated, and results show that only two stable orientations are obtained during the simulations. Afterward, these two preferred orientations are placed on rutile with different nanoscale curved surfaces, and simulations find that the curved surface has a significant influence on the orientation of the adsorbed FN-III10. The “side-on” orientation prefers the convex surface, while the “head-on” orientation prefers the concave surface. Further investigation on the impact mechanism shows that the dipole of the rutile caused by the defective surface has strong interaction with the dipole of the adsorbed FN-III10, which is the dominant driving force of the conformational change during the simulation. The simulation results further verify the influence of nanoscale surface of biomaterial on the adsorbed protein and highlight the possibility of surface design for advanced biomaterial development.
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影响因子：
3
作者：
Kefeng Wang;Y. Leng;Xiong Lu;Fuzeng Ren
通讯作者：
Kefeng Wang;Y. Leng;Xiong Lu;Fuzeng Ren
影响因子：
5.8
作者：
Pronk, Sander;Pall, Szilard;Lindahl, Erik
通讯作者：
Lindahl, Erik
影响因子：
15
作者：
Roach, P;Farrar, D;Perry, CC
通讯作者：
Perry, CC
影响因子：
5.4
作者：
Silva-Bermudez, P.;Rodil, S. E.
通讯作者：
Rodil, S. E.
DOI：
10.1098/rsta.2011.0266
发表时间：
2012-03
期刊：
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
影响因子：
--
作者：
G. Raffaini;F. Ganazzoli
通讯作者：
G. Raffaini;F. Ganazzoli