Liquid-liquid equilibrium measurements and computational study of salt-polymer aqueous two phase system for extraction of analgesic drugs

In recent decades, aqueous two phase systems have gained a lot of attention for extraction of different materials. In this work, an aqueous two phase system was made by polyethylene glycol 600 and potassium hydroxide and phase diagram were determined for this system. The experimental binodal data were described using two empirical nonlinear three parameter expressions developed by Merchuk and Zafarani-Moattar. The consistency of the experimental tie-line data was determined by utilizing the Othmer-Tobias, Bancraft, and Setschenow correlations. Also, the extraction of two analgesic drugs, namely ibuprofen and acetaminophen were investigated by the mentioned ATPS. For this purpose, partition coefficients and extraction efficiencies of each drug were calculated. The trend of extraction efficiencies indicated that the responsibility of extraction of the mentioned drugs into the polymer-rich top phase is related to their hydrophobicity. The Diamond-Hsu equation and its modified version were used to correlate the drugs experimental partition coefficients. Furthermore, the interaction of mentioned drugs with polyethylene glycol was investigated employing quantum computing techniques based upon density functional theory (DFT). These results were in good agreement with the trend of extraction efficiencies of studied drugs.

Automated summary

In this study, an aqueous two phase system was prepared using polyethylene glycol and potassium hydroxide, and its phase diagram and extraction performance were investigated. The results showed that the extraction efficiency of drugs was related to their hydrophobicity and partition coefficient. The interaction between drugs and polyethylene glycol was also studied, and the results were consistent with the extraction efficiency trend.