{"title":"头孢噻肟印迹聚合物的计算机辅助设计","authors":"G. Vladislav, N. Baryshev, A. Dudkin, N. Karaseva","doi":"10.1109/SUMMA48161.2019.8947504","DOIUrl":null,"url":null,"abstract":"The application of GAMESS software in the present investigations makes it possible to optimize the choice of the reagents for the subsequent synthesis of a polymer molecularly imprinted by cefotaxime. Methacrylic acid was chosen as an optimal functional monomer, ethylene glycol dimethacrylate - as a cross-monomer, an optimal molar ratio of cefotaxime to methacrylic acid of 1:5 was also found.","PeriodicalId":163496,"journal":{"name":"2019 1st International Conference on Control Systems, Mathematical Modelling, Automation and Energy Efficiency (SUMMA)","volume":"44 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Computer - Aided Design of Cefotaxime-imprinted Polymer\",\"authors\":\"G. Vladislav, N. Baryshev, A. Dudkin, N. Karaseva\",\"doi\":\"10.1109/SUMMA48161.2019.8947504\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The application of GAMESS software in the present investigations makes it possible to optimize the choice of the reagents for the subsequent synthesis of a polymer molecularly imprinted by cefotaxime. Methacrylic acid was chosen as an optimal functional monomer, ethylene glycol dimethacrylate - as a cross-monomer, an optimal molar ratio of cefotaxime to methacrylic acid of 1:5 was also found.\",\"PeriodicalId\":163496,\"journal\":{\"name\":\"2019 1st International Conference on Control Systems, Mathematical Modelling, Automation and Energy Efficiency (SUMMA)\",\"volume\":\"44 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2019-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2019 1st International Conference on Control Systems, Mathematical Modelling, Automation and Energy Efficiency (SUMMA)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/SUMMA48161.2019.8947504\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2019 1st International Conference on Control Systems, Mathematical Modelling, Automation and Energy Efficiency (SUMMA)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/SUMMA48161.2019.8947504","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Computer - Aided Design of Cefotaxime-imprinted Polymer
The application of GAMESS software in the present investigations makes it possible to optimize the choice of the reagents for the subsequent synthesis of a polymer molecularly imprinted by cefotaxime. Methacrylic acid was chosen as an optimal functional monomer, ethylene glycol dimethacrylate - as a cross-monomer, an optimal molar ratio of cefotaxime to methacrylic acid of 1:5 was also found.
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