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arXiv · 2611.09127

Maximizing Reaction via Spatial Localization: The Reaction-Flux Landscape and Maximizing Sequences

Mohammad Yasir Feroz Khan·Bo Li
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Abstract

We continue our study of a PDE-constrained variational model for maximizing the total reaction flux by optimizing the spatial distribution of catalytic materials, such as enzymes. The total amount of enzyme is fixed, and the substrate concentration is governed by a reaction-diffusion equation with prescribed boundary values. We consider both linear and nonlinear Michaelis-Menten reaction kinetics. In previous work, we constructed a maximizing sequence, computed the first and second variations of the reaction functional, and established the nonexistence of local maximizers. Here, we conduct a more comprehensive analysis. We prove that the functional is strictly concave for linear kinetics but need not be concave or convex for nonlinear kinetics. We also show that no critical points exist. We then characterize maximizing sequences and identify all their possible limiting measures. Our analysis reveals the mechanism of reaction maximization through spatial localization: maximizing sequences concentrate enzymes near the portion of the boundary where the substrate concentration is largest. Moreover, the landscape of the functional defining the total reaction differs between the linear and nonlinear cases, a point less emphasized in applications. Consistent with existing biophysical studies, these findings motivate the development and analysis of regularized models.

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Mohammad Yasir Feroz Khan, Bo Li. 2026-11-06. Maximizing Reaction via Spatial Localization: The Reaction-Flux Landscape and Maximizing Sequences. https://arxiv.org/abs/2611.09127

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