The current outbreak of the coronavirus (COVID-19) pandemic has significantly increased the global usage of antiviral drugs (AVDs), leading to higher concentrations of antibiotics in water pollution. To address this current issue, a new kind of adsorbent named isostructural zeolitic tetrazolate imidazolate frameworks (ZTIFs) were synthesized by combining imidazole and tetrazolates into one self-assembly approach by adjusting pores and stability of frameworks. The incorporation of imidazole ligand progressively increased the stability of frameworks. Furthermore, increasing the content of tetrazolate ligand greatly improved the adsorption performance due to N-rich sites by increasing the pore size. The obtained adsorbent composite exhibits macroporous structure up to 53.05 nm with excellent structural stability. Owing to their macropores and highly exposed active sites, the synthesized ZTIFs exhibit the maximum adsorption capacity for oseltamivir (OT) and ritonavir (RT) of 585.2 mg/g and 435.8 mg/g, respectively. Moreover, the adsorption uptake and saturation process were rapid compared to simple MOF. Within 20 min, both pollutants achieved equilibrium. The adsorption isotherms were best interpreted by Pseudo second order kinetics. The adsorption of AVDs on ZTIFs was spontaneous, exothermic, and thermodynamically feasible. The DFT calculations and characterization results after adsorption demonstrate that π-π interaction, pore filling, surface complexation, and electrostatic interaction were the primary features of the adsorption mechanism. The prepared ZTIFs composite exhibits high chemical, mechanical and thermal stability and can be recycled multiple times without destroying its morphology and structure. The adsorbent regeneration for several cycles impacted the operational cost and the eco-friendly characteristic of the process.

当前爆发的冠状病毒 (COVID-19) 大流行显着增加了全球抗病毒药物 (AVD) 的使用，导致水污染中抗生素浓度升高。为了解决当前的这个问题，通过调节骨架的孔隙和稳定性，将咪唑和四唑酯结合成一种自组装方法，合成了一种名为等结构沸石四唑酯咪唑酯骨架 (ZTIF) 的新型吸附剂。咪唑配体的加入逐渐增加了框架的稳定性。此外，通过增加孔径，增加四唑配体的含量大大提高了富氮位点的吸附性能。所得吸附剂复合材料具有高达 53.05 nm 的大孔结构，具有优异的结构稳定性。由于它们的大孔和高度暴露的活性位点，合成的 ZTIF 对奥司他韦 (OT) 和利托那韦 (RT) 的最大吸附容量分别为 585.2 mg/g 和 435.8 mg/g。此外，与简单的 MOF 相比，吸附吸收和饱和过程迅速。在 20 分钟内，两种污染物达到平衡。伪二级动力学最好地解释吸附等温线。AVD 在 ZTIF 上的吸附是自发的、放热的，并且在热力学上是可行的。吸附后的DFT计算和表征结果表明，π-π相互作用、孔隙填充、表面络合和静电相互作用是吸附机理的主要特征。制备的 ZTIFs 复合材料具有高化学、机械和热稳定性，可以多次回收而不破坏其形态和结构。几个循环的吸附剂再生影响了该过程的操作成本和生态友好特性。