典型纳米材料环境行为与效应潜在尺寸拐点新模型预测研究

With the increasing production and application of nanomaterials (NPs), the potential ecological risks of NPs have received much attention. Many studies have demonstrated size-dependent physicochemical properties and environmental impacts for NPs. Although not explicit in the literature, data and the applicant's preliminary experimental results suggest that the potential of threshold sizes exist regardless of proximity to 100 nm. Limited information about size-dependent NP environmental impacts has been reported, the exact mechanisms are not well understood. In this application, silver nanoparticles with different sizes are selected as the research objects, the theme of the proposed study is focus on the complex system of NPs physicochemical property, environmental condition and environmental behavior, and will examine the threshold size for their physicochemical property and environmental impacts. The quantitative structure-behavior size threshold prediction model of NPs was established by quantitative structure-activity relationship. The outcome of the research may have important implications for both the understanding of the ecological safety of NPs, and the development of NPs-based methodologies for pollution control and remediation.

随着生产和使用规模日益扩大，纳米材料潜在的环境行为风险受到广泛关注。纳米材料自身尺寸是影响其理化性质及环境行为的决定因素，相关国际前沿研究提出纳米材料理化性质、环境行为及毒性效应随尺寸的变化可能存在突变拐点的推测，申请人前期预实验结果也表明纳米银环境行为存在上述尺寸拐点，且该拐点小于以往认知的纳米尺寸分界线:100 nm。目前关于上述推测的全面研究尚不多见，尺寸拐点存在的内在机制亦不明确。本申请拟选用相同表面包覆不同粒径的纳米银作为研究对象，以理化性质—水化学条件—环境行为过程机理为研究主线，系统揭示纳米材料理化性质及相关环境行为的尺寸拐点现象，剖析其内在联系，通过定量构效关系建立纳米材料定量结构-行为尺寸拐点预测模型。基于上述拟进行的研究，丰富对纳米材料尺寸的认知，为准确评估纳米材料的环境效应、发展基于纳米材料的污染控制与修复新原理和新技术提供理论基础和技术支撑。

纳米材料自身尺寸是影响其理化性质及环境行为的决定因素，相关国际前沿研究提出纳米材料理化性质、环境行为及毒性效应随尺寸的变化可能存在突变拐点的推测。目前关于上述推测的全面研究尚不多见，尺寸拐点存在的内在机制亦不明确。本申请选用相同表面包覆不同粒径的纳米银作为研究对象，以理化性质—水化学条件—环境行为过程机理为研究主线，系统揭示了纳米材料理化性质及相关环境行为的尺寸拐点现象，证实相关尺寸拐点确实存在于10-30 nm处，并深入剖析纳米材料性质尺寸拐点与相关行为尺寸拐点间的内在联系，并建立了纳米材料定量结构-行为尺寸拐点的预测模型。上述研究结果，为科学评价纳米材料环境风险及生态效应提供理论基础和量化工具。