Partitioning behavior of caffeine, lamotrigine, clonazepam and oxcarbazepine in a biodegradable aqueous two-phase system comprising of polyethylene glycol dimethyl ether 250 and choline chloride/saccharose deep eutectic solvent

Jafari, Parisa; Jouyban, Abolghasem

doi:10.1016/j.molliq.2020.115055

Cited by 26 publications

(13 citation statements)

References 29 publications

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“…The observed trend for the drugs K values is in good agreement with their hydrophobicity values defined by the logarithm of octanol/water partition coefficient (log K ow ); so that higher log K ow values show that the solute have more hydrophobicity and lower tendency to water molecules 18 . The log K ow values of drugs are 3.97 27 and 2.34 28 for ibuprofen and acetaminophen, respectively. Therefore the drug extraction efficiency is in the order: ibuprofen > acetaminophen.…”

Section: Resultsmentioning

confidence: 99%

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

Ghaffari

Khorsandi

Shekaari

et al. 2022

Sci Rep

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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.

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Section: Resultsmentioning

confidence: 99%

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

Ghaffari

Khorsandi

Shekaari

et al. 2022

Sci Rep

View full text Add to dashboard Cite

show abstract

“…The observed trend for the drugs K values is in good agreement with their hydrophobicity values defined by the logarithm of octanol/water partition coefficient (log Kow); so that higher log Kow values show that the solute have more hydrophobicity and lower tendency to water molecules 27 . The log Kow values of drugs are 3.97 28 and 2.34 29 for ibuprofen and acetaminophen, respectively. Therefore the drug extraction efficiency is in the order: ibuprofen > acetaminophen.…”

Section: The Effect Of Drug Structure On the Drug Partitioning Behaviormentioning

confidence: 99%

Experimental and computational study of salt-containing aqueous two-phase system for extraction of analgesic drugs

Ghaffari

Khorsandi

Shekaari

et al. 2022

Preprint

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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 poly (ethylene) 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.

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“…Aqueous two-phase systems (ATPS), a kind of liquid–liquid extraction systems, were widely used in the extraction and separation of various natural products. − The phase separation would occur when two solutes were incompatible in an aqueous medium above the critical concentration. The ATPS consisted of two macroscopic water-rich phases, which were considered to show a great advantage in biological characteristics, such as mild reaction environment, simple operation equipment, fast mass transfer rate, and high biocompatibility .…”

Section: Introductionmentioning

confidence: 99%

Liquid–Liquid Equilibrium Data for Novel Aqueous Two-Phase Systems Composed of Betaine-Xylitol Deep Eutectic Solvent + Alcohol (1-Propanol/2-Propanol/tert-Butanol) + Water

et al. 2022

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Focused on developing a biocompatible and ecofriendly extraction platform, aqueous two-phase systems (ATPS) containing betaine-xylitol deep eutectic solvent (DES), three smallmolecular alcohols (1-propanol, 2-propanol, and tert-butanol), and water were investigated here. The effect of alcohol properties on the efficiency to form ATPS with aqueous solution of DES was studied at 298.15 K and atmospheric pressure. The results suggested that the formation of the ATPS was attributed to the incompatibility between the DES and alcohol in aqueous medium, allowing the increase in the biphasic region using tert-butanol with the highest hydrophobicity among three alcohols. Combined with Karl Fischer titration, the high-performance liquid chromatography (HPLC) analysis was used to evaluate the tie-lines of the ATPS, and it was found that DES components were enriched in the lower phase while alcohol was transferred preferentially to the upper phase. Additionally, the increase in the concentrations of ATPS phase compositions was responsible for the increase in the length of tie-lines, which led to a higher driven force for phase separation. The detailed experimental data were highly correlated by the NRTL model based on a low root-mean-square deviation (≤1.79%). Moreover, five biomolecules (gallic acid, syringic acid, quercetin, kaempferol, and isorhamnetin) were used as probes to determine the extraction ability of the studied DES/alcohol ATPS. This work may lay a promising foundation for the diversity development of the ATPS.

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Partitioning behavior of caffeine, lamotrigine, clonazepam and oxcarbazepine in a biodegradable aqueous two-phase system comprising of polyethylene glycol dimethyl ether 250 and choline chloride/saccharose deep eutectic solvent

Cited by 26 publications

References 29 publications

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

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

Experimental and computational study of salt-containing aqueous two-phase system for extraction of analgesic drugs

Liquid–Liquid Equilibrium Data for Novel Aqueous Two-Phase Systems Composed of Betaine-Xylitol Deep Eutectic Solvent + Alcohol (1-Propanol/2-Propanol/tert-Butanol) + Water

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