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
刊名JOURNAL OF CHEMICAL PHYSICS
2016
卷号145期号:4
DOI10.1063/1.4959805
文章类型期刊论文
英文摘要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.
类目[WOS]Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
关键词[WOS]MOLECULAR-DYNAMICS SIMULATION ; HYDROPHOBIC HYDRATION ; WATER-STRUCTURE ; PARTICLES ; MODEL ; DENATURATION ; INTERFACES ; NANOSCALE ; PROTEINS ; CLUSTERS
语种英语
WOS记录号WOS:000381679800039
引用统计
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/260280
专题中国科学院高能物理研究所_多学科研究中心_期刊论文
中国科学院高能物理研究所_多学科研究中心
作者单位中国科学院高能物理研究所
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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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