TY - JOUR ID - 95282 TI - Computational Prediction of Estrogenic Micropollutants Removal from Lignin Surface Using Ionic Liquids JO - Journal of Applied Biotechnology Reports JA - JABR LA - en SN - 2322-1186 AU - Hafizi, Roohollah AU - Amani, Mohammad Ali AU - Taheri, Ramezan Ali AD - Department of Physics, Isfahan University of Technology, Isfahan, Iran AD - Applied Biotechnology Research Center, Baqiyatallah University of Medical Sciences, Tehran, Iran AD - Nanobiotechnology Research Center, Baqiyatallah University of Medical Sciences, Tehran, Iran Y1 - 2019 PY - 2019 VL - 6 IS - 3 SP - 125 EP - 128 KW - Estrogenic Micropollutants KW - Water Effluent KW - Computational chemistry KW - Ionic Liquids KW - Polymeric Samplers KW - lignin DO - 10.29252/JABR.06.03.08 N2 - 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. UR - https://www.biotechrep.ir/article_95282.html L1 - https://www.biotechrep.ir/article_95282_db91da5560e4cb22e1bb2c1311505f4f.pdf ER -