Hormones Concentration in an Aqueous Two‐Phase System: Experimental and Computational Analysis

• DOI: 10.1002/ceat.202300374
• Publication Date: 2024-01-23T03:14:10Z
• Authors: Filipe S. Buarque; Thailan S. P. Lima; Adriano Carniel; Bernardo D. Ribeiro; Maria A. Z. Coelho; Ranyere L. Souza; Cleide M. F. Soares; Matheus M. Pereira; Álvaro S. Lima
• Keywords: 01 natural sciences; 0104 chemical sciences

AbstractEstrogens are emergent pollutants found in low levels in water bodies, and for this reason they require concentration for quantification. In this study, aqueous two‐phase systems (ATPSs) were used as an alternative strategy to improve hormone detection and quantification from real water samples. In addition, a predictive computational method (COSMO‐RS) was used to understand better the migration of hormones between the two phases at the molecular level. Water samples previously analyzed as hormone‐free were added to the 250‐fold concentrated ATPS, where it was possible to detect and quantify concentrations of these micropollutants in the range of 9.3–29.19 ng L−1.