Application of dynamic metabolic flux analysis for process modeling: Robust flux estimation with regularization, confidence bounds, and selection of elementary modes.

In macroscopic dynamic models of fermentation processes, elementary modes (EM) derived from metabolic networks are often used to describe the reaction stoichiometry in a simplified manner and to build predictive models by parameterizing kinetic rate equations for the EM. In this procedure, the selection of a set of EM is a key step which is followed by an estimation of their reaction rates and of the associated confidence bounds. In this paper, we present a method for the computation of reaction rates of cellular reactions and EM as well as an algorithm for the selection of EM for process modeling.

Flexible automation with compact NMR spectroscopy for continuous production of pharmaceuticals.

Modular plants using intensified continuous processes represent an appealing concept for the production of pharmaceuticals. It can improve quality, safety, sustainability, and profitability compared to batch processes; besides, it enables plug-and-produce reconfiguration for fast product changes. To facilitate this flexibility by real-time quality control, we developed a solution that can be adapted quickly to new processes and is based on a compact nuclear magnetic resonance (NMR) spectrometer.

Hybrid evolutionary optimization of two-stage stochastic integer programming problems: an empirical investigation.

In this contribution, we consider decision problems on a moving horizon with significant uncertainties in parameters. The information and decision structure on moving horizons enables recourse actions which correct the here-and-now decisions whenever the horizon is moved a step forward. This situation is reflected by a mixed-integer recourse model with a finite number of uncertainty scenarios in the form of a two-stage stochastic integer program.