进料间歇生物反应器建模

IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING
Tilen Gimpelj , Aleksandar Tošić
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引用次数: 0

摘要

本文描述了一种开源计算工具,用于模拟和模拟投料间歇生物反应器,特别是用于使用中国仓鼠卵巢(CHO)细胞的过程,这是生物制药制造中不可或缺的一部分。该软件为研究人员和行业专业人员提供了一个平台,可以模拟生物反应器动力学,并在物理实验之前研究各种操作参数的影响,例如营养供应率,氧气浓度和温度。该工具使用户能够生成关键变量的预测,包括细胞密度、营养消耗和产品浓度随时间的变化。这些预测是从一个基于常微分方程组的数学框架中推导出来的,该方程组用龙格-库塔法求解。该软件的一个显著功能是导入实验数据和应用Nelder-Mead算法进行参数优化,允许根据经验结果校准模型,从而提高其预测准确性。该软件支持硅实验,这有助于减少与优化生物反应器配置和扩大生产过程相关的时间、成本和资源。通过提供一个精细化和适应性强的框架,该仪器有助于提高对生物反应器动力学的理解,优化生物制药生产方法,并将理论模型与实际生物反应器操作相关联。该软件作为开源项目提供,以促进其在科学界的采用和持续发展。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Fed-batch bioreactor modeling
This paper describes an open-source computational tool developed for the modeling and simulation of fed-batch bioreactors, particularly for processes employing Chinese Hamster Ovary (CHO) cells, which are integral to biopharmaceutical manufacturing. The software provides a platform for researchers and industry professionals to simulate bioreactor dynamics and investigate the impact of various operational parameters, such as nutrient supply rates, oxygen concentrations, and temperature, prior to physical experimentation. The tool enables users to generate predictions of critical variables including cell density, nutrient consumption, and product concentration profiles over time. These predictions are derived from a mathematical framework based on a system of ordinary differential equations solved using the Runge–Kutta method. A notable capability of the software is the import of experimental data and the application of the Nelder–Mead algorithm for parameter optimization, allowing for the calibration of the model against empirical findings, thereby enhancing its predictive accuracy. The software supports in silico experimentation, which can contribute to reducing the time, cost, and resources associated with optimizing bioreactor configurations and scaling up production processes. By providing a refined and adaptable framework, this instrument assists in improving the understanding of bioreactor dynamics, optimizing biopharmaceutical production methodologies, and correlating theoretical models with practical bioreactor operations. The software is available as an open-source project to promote its adoption and continued development within the scientific community.
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来源期刊
SoftwareX
SoftwareX COMPUTER SCIENCE, SOFTWARE ENGINEERING-
CiteScore
5.50
自引率
2.90%
发文量
184
审稿时长
9 weeks
期刊介绍: SoftwareX aims to acknowledge the impact of software on today''s research practice, and on new scientific discoveries in almost all research domains. SoftwareX also aims to stress the importance of the software developers who are, in part, responsible for this impact. To this end, SoftwareX aims to support publication of research software in such a way that: The software is given a stamp of scientific relevance, and provided with a peer-reviewed recognition of scientific impact; The software developers are given the credits they deserve; The software is citable, allowing traditional metrics of scientific excellence to apply; The academic career paths of software developers are supported rather than hindered; The software is publicly available for inspection, validation, and re-use. Above all, SoftwareX aims to inform researchers about software applications, tools and libraries with a (proven) potential to impact the process of scientific discovery in various domains. The journal is multidisciplinary and accepts submissions from within and across subject domains such as those represented within the broad thematic areas below: Mathematical and Physical Sciences; Environmental Sciences; Medical and Biological Sciences; Humanities, Arts and Social Sciences. Originating from these broad thematic areas, the journal also welcomes submissions of software that works in cross cutting thematic areas, such as citizen science, cybersecurity, digital economy, energy, global resource stewardship, health and wellbeing, etcetera. SoftwareX specifically aims to accept submissions representing domain-independent software that may impact more than one research domain.
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