{"title":"不同温度下萘普生在（1-丙醇/2-丙醇）和乙二醇二元溶剂混合物中的溶解度测定、数学建模和热力学分析","authors":"Mohammad Barzegar-Jalali, Atefeh Sheikhi-Sovari, Fleming Martinez, Behrouz Seyfinejad, Elaheh Rahimpour, Abolghasem Jouyban","doi":"10.1186/s13065-024-01291-3","DOIUrl":null,"url":null,"abstract":"<div><p>This study investigates the solubility behavior of Naproxen (NAP) in binary solvent mixtures of 1-propanol (1-PrOH) and 2-propanol (2-PrOH) with ethylene glycol (EG) across a range of temperatures. The solubility of NAP was experimentally determined at five different temperatures (293.15 to 313.15 K), and the data were correlated using various thermodynamic models, including the van’t Hoff, Jouyban-Acree, modified Wilson, mixture response surface, Jouyban-Acree-van’t Hoff. The results demonstrated that NAP’s solubility increases with temperature in both solvent systems. Notably, NAP exhibited higher solubility in mixtures with 1-PrOH compared to 2-PrOH, despite the lower polarity of 2-PrOH. This unexpected trend is attributed to the distinct molecular interactions, including hydrogen bonding, influenced by the structural differences between 1-PrOH and 2-PrOH. The X-ray diffraction analysis confirmed that no polymorphic transformation occurred in NAP during dissolution, maintaining its crystalline structure. The solubility data were well-correlated by the applied models, with overall MRDs% (mean relative deviation percentage) below 6.1.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3000,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01291-3","citationCount":"0","resultStr":"{\"title\":\"Solubility determination, mathematical modeling, and thermodynamic analysis of naproxen in binary solvent mixtures of (1-propanol/2-propanol) and ethylene glycol at different temperatures\",\"authors\":\"Mohammad Barzegar-Jalali, Atefeh Sheikhi-Sovari, Fleming Martinez, Behrouz Seyfinejad, Elaheh Rahimpour, Abolghasem Jouyban\",\"doi\":\"10.1186/s13065-024-01291-3\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>This study investigates the solubility behavior of Naproxen (NAP) in binary solvent mixtures of 1-propanol (1-PrOH) and 2-propanol (2-PrOH) with ethylene glycol (EG) across a range of temperatures. The solubility of NAP was experimentally determined at five different temperatures (293.15 to 313.15 K), and the data were correlated using various thermodynamic models, including the van’t Hoff, Jouyban-Acree, modified Wilson, mixture response surface, Jouyban-Acree-van’t Hoff. The results demonstrated that NAP’s solubility increases with temperature in both solvent systems. Notably, NAP exhibited higher solubility in mixtures with 1-PrOH compared to 2-PrOH, despite the lower polarity of 2-PrOH. This unexpected trend is attributed to the distinct molecular interactions, including hydrogen bonding, influenced by the structural differences between 1-PrOH and 2-PrOH. The X-ray diffraction analysis confirmed that no polymorphic transformation occurred in NAP during dissolution, maintaining its crystalline structure. The solubility data were well-correlated by the applied models, with overall MRDs% (mean relative deviation percentage) below 6.1.</p></div>\",\"PeriodicalId\":496,\"journal\":{\"name\":\"BMC Chemistry\",\"volume\":\"18 1\",\"pages\":\"\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2024-09-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01291-3\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"BMC Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1186/s13065-024-01291-3\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"BMC Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1186/s13065-024-01291-3","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Solubility determination, mathematical modeling, and thermodynamic analysis of naproxen in binary solvent mixtures of (1-propanol/2-propanol) and ethylene glycol at different temperatures
This study investigates the solubility behavior of Naproxen (NAP) in binary solvent mixtures of 1-propanol (1-PrOH) and 2-propanol (2-PrOH) with ethylene glycol (EG) across a range of temperatures. The solubility of NAP was experimentally determined at five different temperatures (293.15 to 313.15 K), and the data were correlated using various thermodynamic models, including the van’t Hoff, Jouyban-Acree, modified Wilson, mixture response surface, Jouyban-Acree-van’t Hoff. The results demonstrated that NAP’s solubility increases with temperature in both solvent systems. Notably, NAP exhibited higher solubility in mixtures with 1-PrOH compared to 2-PrOH, despite the lower polarity of 2-PrOH. This unexpected trend is attributed to the distinct molecular interactions, including hydrogen bonding, influenced by the structural differences between 1-PrOH and 2-PrOH. The X-ray diffraction analysis confirmed that no polymorphic transformation occurred in NAP during dissolution, maintaining its crystalline structure. The solubility data were well-correlated by the applied models, with overall MRDs% (mean relative deviation percentage) below 6.1.
期刊介绍：
BMC Chemistry, formerly known as Chemistry Central Journal, is now part of the BMC series journals family.
Chemistry Central Journal has served the chemistry community as a trusted open access resource for more than 10 years – and we are delighted to announce the next step on its journey. In January 2019 the journal has been renamed BMC Chemistry and now strengthens the BMC series footprint in the physical sciences by publishing quality articles and by pushing the boundaries of open chemistry.
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