Francisco Ibáñez , Hernán Puentes-Cantor , Lisbel Bárzaga-Martell , Pedro A. Saa , Eduardo Agosin , José Ricardo Pérez-Correa
{"title":"可靠校准和验证受代谢溢流影响的高细胞密度喂料批次培养的现象学模型和混合模型","authors":"Francisco Ibáñez , Hernán Puentes-Cantor , Lisbel Bárzaga-Martell , Pedro A. Saa , Eduardo Agosin , José Ricardo Pérez-Correa","doi":"10.1016/j.compchemeng.2024.108706","DOIUrl":null,"url":null,"abstract":"<div><p>Fed-batch cultures are the preferred operation mode for industrial bioprocesses requiring high cellular densities. Avoids accumulation of major fermentation by-products due to metabolic overflow, increasing process productivity. Reproducible operation at high cell densities is challenging (<span><math><mrow><mo>></mo><mn>100</mn></mrow></math></span> gDCW/L), which has precluded rigorous model evaluation. Here, we evaluated three phenomenological models and proposed a novel hybrid model including a neural network. For this task, we generated highly reproducible fed-batch datasets of a recombinant yeast growing under oxidative, oxygen-limited, and respiro-fermentative metabolic regimes. The models were reliably calibrated using a systematic workflow based on pre-and post-regression diagnostics. Compared to the best-performing phenomenological model, the hybrid model substantially improved performance by 3.6- and 1.7-fold in the training and test data, respectively. This study illustrates how hybrid modeling approaches can advance our description of complex bioprocesses that could support more efficient operation strategies.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":3.9000,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Reliable calibration and validation of phenomenological and hybrid models of high-cell-density fed-batch cultures subject to metabolic overflow\",\"authors\":\"Francisco Ibáñez , Hernán Puentes-Cantor , Lisbel Bárzaga-Martell , Pedro A. Saa , Eduardo Agosin , José Ricardo Pérez-Correa\",\"doi\":\"10.1016/j.compchemeng.2024.108706\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Fed-batch cultures are the preferred operation mode for industrial bioprocesses requiring high cellular densities. Avoids accumulation of major fermentation by-products due to metabolic overflow, increasing process productivity. Reproducible operation at high cell densities is challenging (<span><math><mrow><mo>></mo><mn>100</mn></mrow></math></span> gDCW/L), which has precluded rigorous model evaluation. Here, we evaluated three phenomenological models and proposed a novel hybrid model including a neural network. For this task, we generated highly reproducible fed-batch datasets of a recombinant yeast growing under oxidative, oxygen-limited, and respiro-fermentative metabolic regimes. The models were reliably calibrated using a systematic workflow based on pre-and post-regression diagnostics. Compared to the best-performing phenomenological model, the hybrid model substantially improved performance by 3.6- and 1.7-fold in the training and test data, respectively. This study illustrates how hybrid modeling approaches can advance our description of complex bioprocesses that could support more efficient operation strategies.</p></div>\",\"PeriodicalId\":286,\"journal\":{\"name\":\"Computers & Chemical Engineering\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2024-04-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computers & Chemical Engineering\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0098135424001248\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computers & Chemical Engineering","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0098135424001248","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
Reliable calibration and validation of phenomenological and hybrid models of high-cell-density fed-batch cultures subject to metabolic overflow
Fed-batch cultures are the preferred operation mode for industrial bioprocesses requiring high cellular densities. Avoids accumulation of major fermentation by-products due to metabolic overflow, increasing process productivity. Reproducible operation at high cell densities is challenging ( gDCW/L), which has precluded rigorous model evaluation. Here, we evaluated three phenomenological models and proposed a novel hybrid model including a neural network. For this task, we generated highly reproducible fed-batch datasets of a recombinant yeast growing under oxidative, oxygen-limited, and respiro-fermentative metabolic regimes. The models were reliably calibrated using a systematic workflow based on pre-and post-regression diagnostics. Compared to the best-performing phenomenological model, the hybrid model substantially improved performance by 3.6- and 1.7-fold in the training and test data, respectively. This study illustrates how hybrid modeling approaches can advance our description of complex bioprocesses that could support more efficient operation strategies.
期刊介绍:
Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.