纳米金属氧化物对脂质吸附能力的定量预测模型  

Prediction model of the adsorption capacity of metal oxide nanoparticles for lipids

作　　者：董文琪 刘素玲[1] 伍天翔 黄杨 杨静媛 李雪花[1] DONG Wenqi;LIU Suling;WU Tianxiang;HUANG Yang;YANG Jingyuan;LI Xuehua(Key Laboratory of Industrial Ecology and Environmental Engineering(MOE),School of Environmental Science and Technology,Dalian University of Technology,Dalian,116024,China)

机构地区：[1]工业生态与环境工程教育部重点实验室,大连理工大学环境学院,大连116024

出　　处：《环境化学》2023年第9期2927-2934,共8页Environmental Chemistry

基　　金：国家自然科学基金(22176023);大连市科技创新基金(2020JJ26SN061);国家高层次人才特殊支持计划-青年拔尖人才项目资助。

摘　　要：纳米金属氧化物(MeONPs)对肺部表面活性物质(PS)的主要成分脂质的吸附量,是影响呼吸暴露生物效应的重要因素.目前关于MeONPs对脂质吸附的定量研究十分有限.MeONPs种类繁多,有必要构建MeONPs对脂质吸附量的预测模型.本研究利用二棕榈酰磷脂酰胆碱(DPPC)囊泡模拟PS,测定25种MeONPs对DPPC的吸附量,建立了可预测MeONPs对DPPC吸附量的模型.结果显示,预测模型具有良好的拟合度、稳健性和预测能力(R_(adj)^(2)=0.79,Q_(cv)^(2)=0.74,Q_(ext)^(2)=0.86).机理解释表明,DPPC头部的磷酸基团是稀土金属氧化物吸附DPPC的重要位点,且MeONPs的金属元素电负性和金属元素质量百分比共同影响DPPC的吸附.本研究建立的预测模型不仅为MeONPs对脂质吸附能力评价提供了基础数据,还拓展了对脂质吸附机制的理解.Adsorption capacity of metal oxide nanoparticles(MeONPs)for lipids that are the main components of pulmonary surfactant(PS),is an important factor affecting the biological effect of nanoparticles entering the human body through the respiratory tract.At present,studies on the adsorption capacity of MeONPs for lipids are very limited.Due to the increasing variety of synthetic MeONPs,it is necessary to establish a model to predict the adsorption capacity of MeONPs for lipids.In this study,1,2-dipalmitoyl-sn-glycero-3-phosphocholine(DPPC)vesicles were used to simulate PS,and 25 kinds of MeONPs were incubated with DPPC to determine the adsorption capacity of MeONPs for DPPC.The model for predicting the adsorption capacity of MeONPs for DPPC was established based on the experimental data.The results show that the prediction model exhibits satisfactory goodness of fit,robustness and predictive ability(R_(adj)^(2)=0.79,Q_(cv)^(2)=0.74,Q_(ext)^(2)=0.86).The explanation of the mechanism suggests that the phosphoric groups in the head of DPPC are important adsorption sites of rare earth metal oxides for DPPC,and the electronegativity of metal elements and the mass percentage of metal elements jointly affect the adsorption capacity of MeONPs for DPPC.The prediction model established in this study not only provides basic data for the evaluation of the adsorption capacity of MeONPs for lipids,but also expands the understanding of the adsorption mechanism of MeONPs for lipids.

关 键 词：纳米金属氧化物 脂质 肺部表面活性物质 吸附 预测模型 

分 类 号：X503.1[环境科学与工程—环境工程]