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Various hydrogen bonds make different fates of pharmaceutical contaminants on oxygen-rich nanomaterials
发布时间:2024-12-17     作者:   分享到:
Various hydrogen bonds, especially charge-assisted hydrogen bond (CAHB), is considered as one of vital mechanisms affecting the environmental behavior and risk of pharmaceutical contaminants (PCs). Herein the sorption/desorption of three PCs including clofibric acid (CA), acetaminophen (ACT), and sulfamerazine (SMZ) on three Oxygen-rich (O-rich) nanoparticles (nano-silica: Nano-SiO2, nano-alumina: Nano-Al2O3, and oxidized  carbon nanotubes: O-CNTs) were investigated to explore the effect of various hydrogen bonds with different  strengths on environmental behaviors of PCs. The results indicated that although solvent-assisted CAHB, solvent uninvolved CAHB, and ordinary hydrogen bond (OHB) all played a crucial role in sorption of PCs on three O-rich  nanomaterials, they showed significantly different effects on the desorption behaviors of PCs from three sorbents.  Compared with OHB (hysteresis index 0.0766), the stronger CAHB (hysteresis index 0.1981) between PCs and  O-rich nanoparticles having comparable pKa with PCs, caused obvious desorption hysteresis of PCs, resulting in  their better immobilization on O-rich nanomaterials. The FTIR characterization found that both solvent-assisted  and solvent-uninvolved CAHB formation resulted in a new characteristic peak appeared in the high frequency  (3660 cmfor Nano-SiO2, 3730 cm for Nano-Al2O3, and 3780 cm for O-CNTs). Also, density functional  theory (DFT) calculation verified that the smaller |ΔpKa| between PCs and O-rich sorbents, the shorter bond  length, and the larger bond angle resulted in the stronger hydrogen bond formed, thereby leading to the greater  immobilization of PCs. These results provide in-depth understanding of the environmental behavior and risk of  PCs, and light new idea for designed materials to control PCs pollution in the environment.