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

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
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,&nbsp;Hemayat Shekaari*,&nbsp;Mohammad Bagheri Hokm Abad,&nbsp;Bita Yamini and Masumeh Mokhtarpour,&nbsp;","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,&nbsp;Hemayat Shekaari*,&nbsp;Mohammad Bagheri Hokm Abad,&nbsp;Bita Yamini and Masumeh Mokhtarpour,&nbsp;\",\"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\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00004\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00004","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

表面活性离子液体(SAILs)作为难溶性药物的潜在溶解度增强剂已引起越来越多的关注。萘普生经常遇到溶解度限制,阻碍其有效的药物应用。本研究在实验温度为(298 ~ 318)K,间隔5 K的条件下,通过利用不同的2-羟乙胺基sail来提高萘普生(NAP)的溶解度。考察了NAP在水溶液(2-羟乙基)辛酸铵[2-HEA][Oc]、双(2-羟乙基)辛酸铵[BHEA][Oc]和三(2-羟乙基)辛酸铵[THEA][Oc] SAILs存在下的溶解度。实验结果表明,[THEA][Oc]提供了最显著的溶解度增强,在298 K时,与纯水相比,萘普生的溶解度提高了46倍。采用电解质-非随机双液(e-NRTL)、Wilson和Jouyban-Acree模型来关联萘普生在含SAILs的水介质中的溶解度实验数据。采用范霍夫方程和吉布斯方程考察了所研究体系中溶解过程的热力学特性。此外,我们还进行了导体样筛选模型(COSMO)计算,以进一步研究萘普生在sail存在下的行为。COSMO结果表明,具有最大表面空腔体积值的[THEA][Oc]与NAP在水介质中的相互作用最大。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Naproxen Drug Solubility: Enhancement and Thermodynamic Modeling by Surface-Active Ionic Liquids Based on 2-Hydroxyethylamine

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.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信