Competitive adsorption of ofloxacin enantiomers to goethite: experiments and modelling
Competitive adsorption of ofloxacin enantiomers to goethite: experiments and modelling
复制标题
氧氟沙星对映体与针铁矿的竞争吸附：实验和建模
DOI：
10.1071/en20123
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发表时间：
2021-01
影响因子：
4.3
通讯作者：
Liping Weng
中科院分区：
文献类型：
--
作者：
Xiaopeng Qin;Xiaofei Zhong;Ping Du;Juan Chen;Junfeng Jia;Ying He;Fei Liu;Liping Weng
环境背景土壤中抗生素的浓度、类型和分布可能对环境产生影响，可以使用实验室系统进行建模。氧氟沙星（OFL）和左氧氟沙星（LEV）对映体的针铁矿吸附可以探测这种行为，并结合不同的固相。LEV和OFL在固溶体分配方面的不同行为将影响其环境归宿。摘要采用静态吸附实验研究了氧氟沙星对映体左氧氟沙星（LEV）和氧氟沙星（OFL）在针铁矿上的吸附行为。利用紫外-可见（UV-Vis）、三维激发-发射矩阵（EEM）和衰减全反射傅里叶变换红外（ATR-FTIR）光谱方法，获得了水溶液和吸附态LEV或OFL的结构信息。结果表明，LEV分子与针铁矿表面形成桥联双齿配合物（LEV（FeO）2-LEV），OFL分子与针铁矿表面形成单齿配合物（LEV（FeO）2-OFL）。OFL对针铁矿的吸附作用强于LEV，这是由于二者的物理化学性质和成键方式不同所致。采用电荷分布多中心络合模型较好地模拟了LEV和OFL在针铁矿上的单体系吸附（CD-MUSIC）模型，但在pH ~5.2和高浓度LEV-OFL混合物时，高估了它们在LEV-OFL-针铁矿体系中的吸附（19.59μM），其中LEV和OFL的预测吸附量比实验结果高（20.0，30.8%）。与未质子化的LEV或OFL相比，质子化的LEV或OFL（>99.9%）主要吸附在针铁矿表面，并且在它们的后续模拟中可以使用单一物种。
Environmental contextThe concentration, types and distribution of antibiotics in soils can have environmental effects and can be modelled using laboratory systems. Adsorption of ofloxacin (OFL) and levofloxacin (LEV) enantiomers to goethite can probe this behaviour and each binds differently to the solid phase. The different behaviour of LEV and OFL in relation to solid-solution partitioning will affect their environmental fate..AbstractThe adsorption of ofloxacin enantiomers, namely levofloxacin (LEV) and ofloxacin (OFL), to goethite was investigated using batch experiments. Structural information of aqueous and adsorbed LEV or OFL was obtained with ultraviolet–visible (UV-Vis), three-dimensional excitation–emission matrix (EEM) and attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectroscopic methods. The results indicated that LEV molecules formed a bridging bidentate complex (≡(FeO)2–LEV) with the surface of goethite, and OFL formed a monodentate complex (≡FeO–OFL). The adsorption of OFL to goethite was stronger than that of LEV, owing to differences in their physicochemical properties and bonding modes. The adsorption of LEV and OFL to goethite in single systems was well simulated using the charge distribution multi-site complexation (CD-MUSIC) model, but their adsorption in the LEV–OFL–goethite systems was overestimated at pH ~5.2 and high concentrations of LEV–OFL mixture (19.59μM), in which the predicted amounts of adsorbed LEV and OFL were higher (20.0, 30.8%) than the experimental results. Compared with the unprotonated LEV or OFL, the protonated (>99.9%) ones were mainly adsorbed to the surface of goethite, and the single species may be used during their following modelling.
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影响因子：
11.4
作者：
T. Paul;M. Machesky;T. Strathmann
通讯作者：
T. Paul;M. Machesky;T. Strathmann
影响因子：
3.9
作者：
Kubicki, James D.;Paul, Kristian W.;Strongin, Daniel R.
通讯作者：
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影响因子：
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作者：
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通讯作者：
Hidajat, K.