S. Hashemi, Abdolhamid Khodadadi, Mahmood Dinmohammad
{"title":"利用UNIQUAC模型预测依托度酸、拉莫三嗪、地西泮和氯硝西泮在共溶剂混合物中的溶解度","authors":"S. Hashemi, Abdolhamid Khodadadi, Mahmood Dinmohammad","doi":"10.30492/IJCCE.2021.131946.4260","DOIUrl":null,"url":null,"abstract":"Etodolac, Lamotrigine, diazepam, and clonazepamine are four important drugs in the pharmaceutical industry that optimizing the solvent concentration in the least amount can reduce the cost and toxicity of these drugs. Due to the lack of thermodynamic modeling based on the activity coefficient equation in previous studies for solubility of Etodolac, Lamotrigine, diazepam, and clonazepamine in aqueous solution, in this study, based on thermodynamic equations and UNIQUAC model, their solubility is optimized with the presence of water and ethanol. Based on the objective function defined, the error rate of the model optimization value was acceptable for each system. The results of this study can be used to better understand the intermolecular reaction of Etodolac, Lamotrigine diazepam, and clonazepamine in the presence of ethanol and water solvents. Also, the importance of the optimization results of this study in order to design a computer program to predict the solubility of these drugs is significant.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"67 1","pages":""},"PeriodicalIF":1.0000,"publicationDate":"2021-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solubility Prediction of Etodolac, Lamotrigine, Diazepam and Clonazepamin in Cosolvent Mixtures Using UNIQUAC Model\",\"authors\":\"S. Hashemi, Abdolhamid Khodadadi, Mahmood Dinmohammad\",\"doi\":\"10.30492/IJCCE.2021.131946.4260\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Etodolac, Lamotrigine, diazepam, and clonazepamine are four important drugs in the pharmaceutical industry that optimizing the solvent concentration in the least amount can reduce the cost and toxicity of these drugs. Due to the lack of thermodynamic modeling based on the activity coefficient equation in previous studies for solubility of Etodolac, Lamotrigine, diazepam, and clonazepamine in aqueous solution, in this study, based on thermodynamic equations and UNIQUAC model, their solubility is optimized with the presence of water and ethanol. Based on the objective function defined, the error rate of the model optimization value was acceptable for each system. The results of this study can be used to better understand the intermolecular reaction of Etodolac, Lamotrigine diazepam, and clonazepamine in the presence of ethanol and water solvents. Also, the importance of the optimization results of this study in order to design a computer program to predict the solubility of these drugs is significant.\",\"PeriodicalId\":14572,\"journal\":{\"name\":\"Iranian Journal of Chemistry & Chemical Engineering-international English Edition\",\"volume\":\"67 1\",\"pages\":\"\"},\"PeriodicalIF\":1.0000,\"publicationDate\":\"2021-08-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Iranian Journal of Chemistry & Chemical Engineering-international English Edition\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.30492/IJCCE.2021.131946.4260\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.30492/IJCCE.2021.131946.4260","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Solubility Prediction of Etodolac, Lamotrigine, Diazepam and Clonazepamin in Cosolvent Mixtures Using UNIQUAC Model
Etodolac, Lamotrigine, diazepam, and clonazepamine are four important drugs in the pharmaceutical industry that optimizing the solvent concentration in the least amount can reduce the cost and toxicity of these drugs. Due to the lack of thermodynamic modeling based on the activity coefficient equation in previous studies for solubility of Etodolac, Lamotrigine, diazepam, and clonazepamine in aqueous solution, in this study, based on thermodynamic equations and UNIQUAC model, their solubility is optimized with the presence of water and ethanol. Based on the objective function defined, the error rate of the model optimization value was acceptable for each system. The results of this study can be used to better understand the intermolecular reaction of Etodolac, Lamotrigine diazepam, and clonazepamine in the presence of ethanol and water solvents. Also, the importance of the optimization results of this study in order to design a computer program to predict the solubility of these drugs is significant.
期刊介绍:
The aim of the Iranian Journal of Chemistry and Chemical Engineering is to foster the growth of educational, scientific and Industrial Research activities among chemists and chemical engineers and to provide a medium for mutual communication and relations between Iranian academia and the industry on the one hand, and the world the scientific community on the other.