氟喹诺酮类抗生素在PSNPs-NH2上的吸附行为及量子化学分析
Adsorption behavior and quantum chemical analysis of fluoroquinolones on PSNPs-NH2
姚美婧 1杨杰 1李亚男 1吴渊 2武亚宁 1吴伟琴 1景康健1
作者信息
- 1. 太原理工大学环境科学与工程学院,山西 晋中 030600
- 2. 中国天辰工程有限公司,天津 300400
- 折叠
摘要
纳米塑料在环境中运输迁移后表面会产生氨基官能团,易与抗生素形成复合污染物.选取 400 nm氨基官能化聚苯乙烯纳米塑料(PSNPs-NH2)与氟喹诺酮类抗生素培氟沙星(PEF)、依诺沙星(ENO)为研究对象,研究PEF、ENO在PSNPs-NH2 上的吸附行为,探讨环境条件对吸附的影响.结果表明,PSNPs-NH2 对PEF和ENO的最大吸附量分别为 331.235 mg/g和 345.065 mg/g,吸附动力学均符合拟二级动力学模型,吸附速率受外扩散和颗粒内扩散控制,吸附等温线符合langmuir模型.强酸强碱、盐度、Cu2+、Zn2+抑制PSNPs-NH2 吸附PEF和ENO,海藻酸钠抑制PSNPs-NH2 吸附PEF.量子化学计算结果表明,该吸附行为主要通过氢键和范德华力进行,范德华最大穿透距离为PEF-PSNPs-NH2(1.19 Å)、ENO-PSNPs-NH2(1.20 Å).
Abstract
After transportation and migration in the environment,amino functional groups will be generated on the surface of nano-plastics,which are easy to form complex pollutants with antibiotics.To solve this problem,400 nm amino-functionalized polystyrene nano-plastics(PSNPs-NH2)and fluoroquinolone antibiotics including pefloxacin and enoxacin are selected as objects to study the adsorption behavior of pefloxacin or enoxacin on PSNPs-NH2,and to explore the influence of environmental conditions on adsorption.Study results show that the maximum adsorption capacities of PSNPs-NH2 for pefloxacin and enoxacin are 331.235 mg·g-1 and 345.065 mg·g-1,respectively.Their adsorption kinetics accords with the pseudo-second-order kinetic model,the adsorption speed is controlled by external diffusion and intraparticle diffusion,and the adsorption isotherm is consistent with Langmuir model.High acidity,high alkalinity,salinity,Cu2+,and Zn2+inhibit PSNPs-NH2 adsorption for pefloxacin and enoxacin,sodium alginate inhibits PSNPs-NH2 adsorption for pefloxacin.The results from quantum chemistry calculation show that this adsorption behavior performs mainly through hydrogen bond and Van der Waals force,and the maximum Van der Waals penetration distance is 1.19Åfor pefloxacin-PSNPs-NH2,and 1.20 Å for enoxacin-PSNPs-NH2.
关键词
纳米聚苯乙烯/官能化/氟喹诺酮类抗生素/吸附/量子化学计算Key words
nano-polystyrene/functionalization/fluoroquinolones/adsorption/quantum chemical computation引用本文复制引用
基金项目
山西省应用基础研究计划项目(20210302123121)
山西省回国留学人员科研资助项目(2023-054)
出版年
2024
NETL
NSTL
万方数据