%0 Journal Article %T Computational Prediction of Estrogenic Micropollutants Removal from Lignin Surface Using Ionic Liquids %J Journal of Applied Biotechnology Reports %I Baqiyatallah University of Medical Sciences %Z 2322-1186 %A Hafizi, Roohollah %A Amani, Mohammad Ali %A Taheri, Ramezan Ali %D 2019 %\ 09/01/2019 %V 6 %N 3 %P 125-128 %! Computational Prediction of Estrogenic Micropollutants Removal from Lignin Surface Using Ionic Liquids %K Estrogenic Micropollutants %K Water Effluent %K Computational chemistry %K Ionic Liquids %K Polymeric Samplers %K lignin %R 10.29252/JABR.06.03.08 %X Introduction: Estrogens are of the most dangerous micro/nanopollutants that have shown severe influences on the ecosystems and micro-organisms. There is an ever-increasing demand to reliably detect and practically remove these estrogens from effluents. In a recently proposed method, estrogens can be detected and removed from effluents using a sampler (lignin). In this study it has been shown that ionic liquids are a potential choice to separate the adsorbed estrogens from the surface of “dirty” lignin so that the sampler could be reused. Materials and Methods: More than 300 ionic liquids were screened for removing estrogens from the lignin surface by employing a quantum chemistry method, COnductor-like Screening MOdel (COSMO), to determine the interaction quality between the ionic liquid and eight estrogens of interest. Results: The results revealed that there are at least 24 solvents that can remove adsorbed estrogens from the surface of lignin. Conclusions: This prediction completes the cycle of reusing lignin as an efficient polymeric sampler to remove estrogens from effluents and provokes experimental justifications. %U https://www.biotechrep.ir/article_95282_db91da5560e4cb22e1bb2c1311505f4f.pdf