文献类型：期刊文献

英文题名：Modelling steady state intercellular isotopic distributions with isotopomer decomposition units

作者：Lin, Weilu[1];Huang, Mingzhi[1];Wang, Zejian[1];Zhuang, Yingping[1];Zhang, Siliang[1]

机构：[1]East China Univ Sci Technol, State Key Lab Bioreactor Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2019

卷号：121

起止页码：248

外文期刊名：COMPUTERS & CHEMICAL ENGINEERING

收录：;EI(收录号：20184606062294);WOS:【SCI-EXPANDED(收录号:WOS:000460730900019)】；

基金：Authors thank financial support by Open Funding Project of the State Key Laboratory of Bioreactor Engineering (F200-B-01G), National Science Foundation of China (31200024/C010201). Authors also thank valuable suggestions from anonymous reviewers to improve the quality of the manuscript.

语种：英文

外文关键词：Isotopomer decomposition unit; Steady state isotope labeling experiments; Isotopomer labeling systems; Cascaded linear systems

摘要：In the past three decades, various computational frameworks for the modelling of the intracellular isotopic distribution have been proposed by different research groups. Among them the cascaded linear systems are the most popular approaches since they can transfer the nonlinear isotopomer labeling system into cascaded linear sub-systems. In this work, a novel two-step decomposition algorithm to model isotopomer labeling system is proposed. It can be utilized to decompose large metabolic networks. For convenience purpose, a new concept of isotopomer decomposition units (IDUs) is defined to distinguish the approach from others. Comparing to other cascaded linear systems, the IDU method follows a different decomposition procedure and results in another set of cascaded linear systems with different coefficients. Two variants of IDU algorithms are proposed, while one variant of them (IDU-B) has fewer number of balance equations than that of EMU balance equations. The efficiency of the IDU approach is demonstrated through two simulated examples. (C) 2018 Elsevier Ltd. All rights reserved.