A UNIFAC–complexation framework for predicting solubility of amino acids and salts for CHO cell culture media

IF 4.4 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal Pub Date : 2026-10-14 DOI:10.1002/aic.70690

Tianxin Zhang, Jayanth Reddy, Hanyu Zheng, Lateef Aliyu, Kent Rapp, Nelson Ndahiro, Ashwin Dravid, Michael Betenbaugh, Alan T. Stone, Marc Donohue

引用次数: 0

Abstract

Intensified biomanufacturing with Chinese hamster ovary (CHO) cells requires highly concentrated nutrient media, making amino‐acid and trace‐element solubility central to robust formulation design. We present a CHO‐media‐focused computational framework that combines modified UNIFAC calculations for short‐range interactions, a modified Debye–Hückel correlation for long‐range ionic effects, and activity‐based equilibrium constraints for speciation, complexation, and precipitation. Group‐interaction parameters were fitted using binary and ternary amino‐acid datasets to establish the parameterization. The binary and ternary results define the thermodynamic foundation, while multicomponent CHO‐media case studies demonstrate how the framework can screen composition‐ and pH‐dependent solubility behavior. Together, these capabilities provide a practical foundation for designing concentrated basal and feed media and prioritizing formulation experiments in mammalian cell cultures.

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预测CHO细胞培养基中氨基酸和盐溶解度的unfacc -络合框架

中国仓鼠卵巢（CHO）细胞的强化生物制造需要高度浓缩的营养培养基，使氨基酸和微量元素的溶解度成为稳健配方设计的核心。我们提出了一个以CHO介质为中心的计算框架，该框架结合了用于短程相互作用的改良UNIFAC计算，用于远距离离子效应的改良debye - h ckel关联，以及用于物种形成、络合和沉淀的基于活度的平衡约束。使用二元和三元氨基酸数据集拟合基团相互作用参数以建立参数化。二元和三元的结果定义了热力学基础，而多组分CHO介质的案例研究证明了框架如何筛选组分和pH依赖的溶解度行为。总之，这些能力为设计浓缩基础和饲料培养基以及在哺乳动物细胞培养中优选配方实验提供了实践基础。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

AIChE Journal 工程技术-工程：化工

CiteScore

7.10

自引率

10.80%

发文量

411

审稿时长

3.6 months

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