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The impacts of surface polarity on the solubility of nanoparticle
Zhu, JZ; Ou XW(欧新文); Li JY(李敬源); Ou, XW; Su, JG; Li, JY
2016
发表期刊JOURNAL OF CHEMICAL PHYSICS
卷号145期号:4
文章类型期刊论文
摘要In order to study the dependence of water solubility and hydration behavior of nanoparticles on their surface polarity, we designed polar nanoparticles with varying surface polarity by assigning atomic partial charge to the surface of C60. The water solubility of the nanoparticle is enhanced by several orders of magnitude after the introduction of surface polarity. Nevertheless, when the atomic partial charge grows beyond a certain value (q(M)), the solubility continuously decreases to the level of nonpolar nanoparticle. It should be noted that such q(M) is comparable with atomic partial charge of a variety of functional groups. The hydration behaviors of nanoparticles were then studied to investigate the non-monotonic dependence of solubility on the surface polarity. The interaction between the polar nanoparticle and the hydration water is stronger than the nonpolar counterpart, which should facilitate the dissolution of the nanoparticles. On the other hand, the surface polarity also reduces the interaction of hydration water with the other water molecules and enhances the interaction between the nanoparticles which may hinder their dispersion. Besides, the introduction of surface polarity disturbs and even rearranges the hydration structure of nonpolar nanoparticle. Interestingly, the polar nanoparticle with less ordered hydration structure tends to have higher water solubility. Published by AIP Publishing.
DOI10.1063/1.4959805
关键词[WOS]MOLECULAR-DYNAMICS SIMULATION ; HYDROPHOBIC HYDRATION ; WATER-STRUCTURE ; PARTICLES ; MODEL ; DENATURATION ; INTERFACES ; NANOSCALE ; PROTEINS ; CLUSTERS
语种英语
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号WOS:000381679800039
引用统计
被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/260280
专题多学科研究中心
作者单位中国科学院高能物理研究所
推荐引用方式
GB/T 7714
Zhu, JZ,Ou XW,Li JY,et al. The impacts of surface polarity on the solubility of nanoparticle[J]. JOURNAL OF CHEMICAL PHYSICS,2016,145(4).
APA Zhu, JZ,欧新文,李敬源,Ou, XW,Su, JG,&Li, JY.(2016).The impacts of surface polarity on the solubility of nanoparticle.JOURNAL OF CHEMICAL PHYSICS,145(4).
MLA Zhu, JZ,et al."The impacts of surface polarity on the solubility of nanoparticle".JOURNAL OF CHEMICAL PHYSICS 145.4(2016).
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