典型手性有机酸对布洛芬对映体在多孔介质中迁移的影响OA
Influence of typical chiral organic acids on the transport of ibuprofen enantiomers in porous media
为探究典型手性有机酸对布洛芬对映体在多孔介质中迁移的影响规律及作用机制,本研究采用石英砂柱迁移实验结合量子化学计算,系统考察苹果酸、酒石酸与樟脑酸等典型手性有机酸对布洛芬对映体的迁移行为的调控作用.结果表明,不同pH条件对布洛芬对映体的迁移有显著影响,pH升高增强了对映体的迁移能力;手性有机酸能够通过竞争吸附和立体选择性作用显著调节布洛芬对映体的迁移行为,其中苹果酸的促进作用最强,且表现出明显的立体选择性.量子化学计算表明,同手性化合物间的氢键作用和范德华力更强,导致布洛芬对映体在多孔介质中滞留增强.研究揭示了典型手性有机酸对布洛芬对映体迁移的差异性调控效应,表明环境中手性有机酸的存在可能导致布洛芬对映体在迁移过程中的立体选择性富集.
To investigate the influence of typical chiral organic acids on the transport of ibuprofen enantiomers in porous media.Quartz sand column experiments combined with quantum chemical calculations were conducted to examine the effects of malic acid,tartaric acid,and camphoric acid on the transport behavior of ibuprofen enantiomers.The results showed that pH significantly affected the migration of ibuprofen enantiomers,with higher pH enhancing transport.Chiral organic acids regulated the migration of ibuprofen enantiomers through competitive adsorption and stereoselective interactions,with malic acid exerting the strongest promotion effect and obvious stereoselectivity.Quantum chemical calculations indicated that homochiral interactions exhibited stronger hydrogen bonding and van der Waals forces,leading to enhanced retention of ibuprofen enantiomers in porous media.This study highlights the stereoselective regulation of ibuprofen enantiomer transport by chiral organic acids and suggests that the coexistence of such acids in the environment may induce stereoselective enrichment during transport.
王晓岩;许多;周弛;张沛;孙慧敏;殷宪强
陕西省环境介质痕量污染物监测预警重点实验室,西安 710054西北农林科技大学资源环境学院,陕西 杨凌 712100陕西省环境介质痕量污染物监测预警重点实验室,西安 710054陕西省环境介质痕量污染物监测预警重点实验室,西安 710054西北农林科技大学资源环境学院,陕西 杨凌 712100西北农林科技大学资源环境学院,陕西 杨凌 712100
资源环境
布洛芬对映体手性有机酸多孔介质迁移行为立体选择性
ibuprofen enantiomerchiral organic acidsporous mediatransport behaviorstereoselectivity
《农业环境科学学报》 2026 (8)
1940-1951,12
陕西省环境介质痕量污染物监测预警重点实验室开放基金(SHJKFJJ-YB-202407) Open Fund of Shaanxi Key Laboratory of Environmental Monitoring and Forewarning of Trace Pollutants(SHJKFJJ-YB-202407)
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