{"title":"药物化合物在超临界二氧化碳中溶解度的新相关模型","authors":"Amrithaa Raghavan , Ratna Surya Alwi , Geetha Devi M , Chandrasekhar Garlapati","doi":"10.1016/j.ctta.2025.100177","DOIUrl":null,"url":null,"abstract":"<div><div>A new solubility model based on enhancement factor concept is proposed to correlate solubility of drug compounds in supercritical carbon dioxide (SCCO<sub>2</sub>). The correlating ability of the new model is compared with existing solubility model. The proposed model and existing models were tested with twenty nine drug-supercritical carbon dioxide systems reported in the literature. The proposed model correlating performance is indicated in terms of absolute relative deviation percentage. Additionally, Akaike's Information Criterion (AIC) was used to assess the model's performance compared with existing solubility model. The results show the compared to existing solubility model, the proposed model accurately correlates the solubility.The global absolute average relative deviation percentage for the existing model and proposed new model are 22.17 % and 16.11 % respectively.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"18 ","pages":"Article 100177"},"PeriodicalIF":0.0000,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A new model to correlate solubility of drug compounds in supercritical carbon dioxide\",\"authors\":\"Amrithaa Raghavan , Ratna Surya Alwi , Geetha Devi M , Chandrasekhar Garlapati\",\"doi\":\"10.1016/j.ctta.2025.100177\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>A new solubility model based on enhancement factor concept is proposed to correlate solubility of drug compounds in supercritical carbon dioxide (SCCO<sub>2</sub>). The correlating ability of the new model is compared with existing solubility model. The proposed model and existing models were tested with twenty nine drug-supercritical carbon dioxide systems reported in the literature. The proposed model correlating performance is indicated in terms of absolute relative deviation percentage. Additionally, Akaike's Information Criterion (AIC) was used to assess the model's performance compared with existing solubility model. The results show the compared to existing solubility model, the proposed model accurately correlates the solubility.The global absolute average relative deviation percentage for the existing model and proposed new model are 22.17 % and 16.11 % respectively.</div></div>\",\"PeriodicalId\":9781,\"journal\":{\"name\":\"Chemical Thermodynamics and Thermal Analysis\",\"volume\":\"18 \",\"pages\":\"Article 100177\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-02-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Thermodynamics and Thermal Analysis\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2667312625000173\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Thermodynamics and Thermal Analysis","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2667312625000173","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
A new model to correlate solubility of drug compounds in supercritical carbon dioxide
A new solubility model based on enhancement factor concept is proposed to correlate solubility of drug compounds in supercritical carbon dioxide (SCCO2). The correlating ability of the new model is compared with existing solubility model. The proposed model and existing models were tested with twenty nine drug-supercritical carbon dioxide systems reported in the literature. The proposed model correlating performance is indicated in terms of absolute relative deviation percentage. Additionally, Akaike's Information Criterion (AIC) was used to assess the model's performance compared with existing solubility model. The results show the compared to existing solubility model, the proposed model accurately correlates the solubility.The global absolute average relative deviation percentage for the existing model and proposed new model are 22.17 % and 16.11 % respectively.