Faezeh Heydari Aghdam, Hemayat Shekaari*, Mohammad Bagheri Hokm Abad, Bita Yamini and Masumeh Mokhtarpour,
{"title":"萘普生药物溶解度:基于2-羟乙胺的表面活性离子液体的增强和热力学建模","authors":"Faezeh Heydari Aghdam, Hemayat Shekaari*, Mohammad Bagheri Hokm Abad, Bita Yamini and Masumeh Mokhtarpour, ","doi":"10.1021/acs.jced.5c0000410.1021/acs.jced.5c00004","DOIUrl":null,"url":null,"abstract":"<p >Surface-active ionic liquids (SAILs) have garnered increasing attention as potential solubility enhancers for poorly soluble drugs. Naproxen often encounters solubility limitations that hinder its effective pharmaceutical application. This study investigates the enhancement of naproxen (NAP) solubility through the utilization of various 2-hydroxyethylamine-based SAILs at experimental temperatures of (298 to 318) K with 5 K intervals. The solubility of NAP in the presence of aqueous (2-hydroxyethyl)ammonium octanoate [2-HEA][Oc], bis(2-hydroxyethyl)ammonium octanoate [BHEA][Oc], and tris(2-hydroxyethyl)ammonium octanoate [THEA][Oc] SAILs was explored. Experimental results revealed that [THEA][Oc] provided the most substantial solubility enhancement, achieving a 46-fold increase in naproxen solubility compared to pure water at 298 K. The electrolyte-nonrandom two liquid (e-NRTL), Wilson, and Jouyban–Acree models were implemented to correlate the experimental solubility data of naproxen in aqueous media containing SAILs. The van’t Hoff and Gibbs equations were employed to examine the thermodynamic characteristics of the dissolution process in the studied systems. Additionally, conductor-like screening model (COSMO) calculations were performed to further investigate the behavior of naproxen in the presence of SAILs. According to the COSMO results the [THEA][Oc] by possessing the most surface cavity volume values potentially can show the most interaction with NAP in aqueous media.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 4","pages":"1623–1637 1623–1637"},"PeriodicalIF":2.0000,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Naproxen Drug Solubility: Enhancement and Thermodynamic Modeling by Surface-Active Ionic Liquids Based on 2-Hydroxyethylamine\",\"authors\":\"Faezeh Heydari Aghdam, Hemayat Shekaari*, Mohammad Bagheri Hokm Abad, Bita Yamini and Masumeh Mokhtarpour, \",\"doi\":\"10.1021/acs.jced.5c0000410.1021/acs.jced.5c00004\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Surface-active ionic liquids (SAILs) have garnered increasing attention as potential solubility enhancers for poorly soluble drugs. Naproxen often encounters solubility limitations that hinder its effective pharmaceutical application. This study investigates the enhancement of naproxen (NAP) solubility through the utilization of various 2-hydroxyethylamine-based SAILs at experimental temperatures of (298 to 318) K with 5 K intervals. The solubility of NAP in the presence of aqueous (2-hydroxyethyl)ammonium octanoate [2-HEA][Oc], bis(2-hydroxyethyl)ammonium octanoate [BHEA][Oc], and tris(2-hydroxyethyl)ammonium octanoate [THEA][Oc] SAILs was explored. Experimental results revealed that [THEA][Oc] provided the most substantial solubility enhancement, achieving a 46-fold increase in naproxen solubility compared to pure water at 298 K. The electrolyte-nonrandom two liquid (e-NRTL), Wilson, and Jouyban–Acree models were implemented to correlate the experimental solubility data of naproxen in aqueous media containing SAILs. The van’t Hoff and Gibbs equations were employed to examine the thermodynamic characteristics of the dissolution process in the studied systems. Additionally, conductor-like screening model (COSMO) calculations were performed to further investigate the behavior of naproxen in the presence of SAILs. 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Naproxen Drug Solubility: Enhancement and Thermodynamic Modeling by Surface-Active Ionic Liquids Based on 2-Hydroxyethylamine
Surface-active ionic liquids (SAILs) have garnered increasing attention as potential solubility enhancers for poorly soluble drugs. Naproxen often encounters solubility limitations that hinder its effective pharmaceutical application. This study investigates the enhancement of naproxen (NAP) solubility through the utilization of various 2-hydroxyethylamine-based SAILs at experimental temperatures of (298 to 318) K with 5 K intervals. The solubility of NAP in the presence of aqueous (2-hydroxyethyl)ammonium octanoate [2-HEA][Oc], bis(2-hydroxyethyl)ammonium octanoate [BHEA][Oc], and tris(2-hydroxyethyl)ammonium octanoate [THEA][Oc] SAILs was explored. Experimental results revealed that [THEA][Oc] provided the most substantial solubility enhancement, achieving a 46-fold increase in naproxen solubility compared to pure water at 298 K. The electrolyte-nonrandom two liquid (e-NRTL), Wilson, and Jouyban–Acree models were implemented to correlate the experimental solubility data of naproxen in aqueous media containing SAILs. The van’t Hoff and Gibbs equations were employed to examine the thermodynamic characteristics of the dissolution process in the studied systems. Additionally, conductor-like screening model (COSMO) calculations were performed to further investigate the behavior of naproxen in the presence of SAILs. According to the COSMO results the [THEA][Oc] by possessing the most surface cavity volume values potentially can show the most interaction with NAP in aqueous media.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.