Non-Equilibrium Thermodynamics: A Theoretical and Computational Framework for Complex Biological Systems-A Recent Literature Review

Abstract

The consideration of non-equilibrium thermodynamics (NET), has become a central theme in the interpretation of intricate behaviours of complex biological systems. Life is at its core a process far from equilibrium, driven by persistent energy and mass flow. In this review, we provide an overview of the recent theoretical and computational developments in NET from 2018 to 2025 based on the comprehensive literature survey of more than half a century by considering more than 50 Scopus indexed papers. The paradigm in energy transduction and dissipative structures that we need to disclose is set by the earliest incursions of quantitative biology into cellular metabolism. The reviewer next explains in detail the theoretical developments of stochastic thermodynamics and the framework of information thermodynamics, which offers means to quantify entropy production rates, fluctuation theorems and acting quantities characterising energetic costs arising from biological accuracy. A large part is devoted to state of the-art computational methods, such as thermodynamically corrected coarse grained molecular dynamics and agent-based models. In order to compile findings from different studies, we display table review summaries about the results, methodology and advice of leading authors. To illustrate the potential of NET, their application in addressing specific biological disorder related phenomena circadian rhythms and dynamics, cancer metabolism, cellular sensing system s, and neural dynamics is scrutinized to exhibit how they may explain or predict the behavior of a disease. Last but not least, remaining challenges of the real time measurement of cellular entropy production and the multiscale coupling are summarized with an outlook for future research to apply artificial intelligence in connection with thermodynamic models and implement thermodynamic therapies. The combined evidence supports AFF tactic as a necessary lingua franca to advance beyond descriptive ecology towards predictive, quantitative biology of life. Download Full Text