Influence of surface chemical properties on the toxicity of engineered zinc oxide nanoparticles to embryonic zebrafish

• Zitao Zhou,
• Jino Son,
• Bryan Harper,
• Zheng Zhou and
• Stacey Harper

Beilstein J. Nanotechnol. 2015, 6, 1568–1579, doi:10.3762/bjnano.6.160

• are more closely related to the fate and effects of ZnO NPs than the core composition alone [18][19][22]. Thus, it is expected that surface chemical properties can be employed as descriptors to model the toxicity of various types of engineered ZnO NPs. The development of such relationships between a

• extract descriptors useful as coordinates to develop a model of how surface chemistry impacts ZnO NP toxicity. Selected surface features used in the PCA were those deemed likely to influence biological interactions with the NP surface. Size (SZ) was chosen as it has been reported by others to influence NP

• consists of 8 property descriptors: size (SZ), Log D, polarizability (PL), polar surface area (PS), van der Waals surface (VS), solvent-accessible surface area (SASA), molar refractivity (RF) and Dreiding energy (DE) with 10 surface modified and 7 bare ZnO NPs (17 ZnO NP datasets × 8 properties). Each