Tan Xuefei, Zhang Chaofan, Wei Huangzhao, Shi Peng, Chang Haixing, Ho Shih-Hsin
College of Materials and Chemical Engineering, Heilongjiang Institute of Technology, Harbin, 150050, PR China; State Key Laboratory of Urban Water Resource and Environment, School of Environment, Harbin Institute of Technology, Harbin, 150090, PR China.
State Key Laboratory of Urban Water Resource and Environment, School of Environment, Harbin Institute of Technology, Harbin, 150090, PR China.
Chemosphere. 2022 Oct;304:135244. doi: 10.1016/j.chemosphere.2022.135244. Epub 2022 Jun 6.
Biochar (BC) adsorption has been widely acknowledged as an efficient approach for the removal of antibiotics. Despite the importance of oxygen-containing functional groups for the antibiotics removal, most of these may be obtained in BC only relying on the addition of oxidants. Herein, an environmentally friendly and oxygen-enriched functional groups adsorbent, namely Chlamydomonas BC (CBC), was fabricated via simple pyrolysis process. Then, the H-bonding, electron donor-acceptor and electrostatic attraction were identified as the main mechanisms regarding sulfathiazole (STZ) adsorption (506.38 mg/g). The carbon-oxygen functional groups on the surface of CBC (61%), especially -COOH and -OH, acted as a pivotal component. Additionally, further theoretical calculation led to the observation that STZ exhibited the highest chemical reactivity (η = 0.04), strong electron exchange capacity (μ = -0.16), remarkable electron accepting capacity (ω = 0.28) and excellent electron transfer efficiency (E-E gap = 0.29) under the influence of thiazolyl. The electrophilic sulfonamide group and the nucleophilic thiazole were identified as the main active sites of STZ. In summary, the results of this research provide a guiding role for the preparation of adsorbents driven by the structural characteristics of pollutants.
生物炭（BC）吸附已被广泛认为是一种去除抗生素的有效方法。尽管含氧官能团对于抗生素去除很重要，但其中大多数可能仅通过添加氧化剂才能在生物炭中获得。在此，通过简单的热解过程制备了一种环境友好且富含氧官能团的吸附剂，即衣藻生物炭（CBC）。然后，氢键、电子供体 - 受体和静电吸引被确定为磺胺噻唑（STZ）吸附（506.38 mg/g）的主要机制。CBC表面的碳 - 氧官能团（61%），尤其是 -COOH和 -OH，起到了关键作用。此外，进一步的理论计算表明，在噻唑基的影响下，STZ表现出最高的化学反应活性（η = 0.04）、强电子交换能力（μ = -0.16）、显著的电子接受能力（ω = 0.28）和优异的电子转移效率（E - E间隙 = 0.29）。亲电磺酰胺基团和亲核噻唑被确定为STZ的主要活性位点。总之，本研究结果为基于污染物结构特征驱动的吸附剂制备提供了指导作用。
