Albaugh Alex, Fu Rueih-Sheng, Gu Geyao, Gingrich Todd R
Department of Chemical Engineering and Materials Science, Wayne State University, 5050 Anthony Wayne Drive, Detroit, Michigan 48202, United States.
Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States.
J Chem Theory Comput. 2024 Jan 9;20(1):1-6. doi: 10.1021/acs.jctc.3c01201. Epub 2023 Dec 21.
Thermodynamic uncertainty relations (TURs) relate precision to the dissipation rate, yet the inequalities can be far from saturation. Indeed, in catenane molecular motor simulations, we record precision far below the TUR limit. We further show that this inefficiency can be anticipated by four physical parameters: the thermodynamic driving force, fuel decomposition rate, coupling between fuel decomposition and motor motion, and rate of undriven motor motion. The physical insights might assist in designing molecular motors in the future.
热力学不确定性关系（TURs）将精度与耗散率联系起来，但这些不等式可能远未达到饱和状态。实际上，在连环分子马达模拟中，我们记录到的精度远低于TUR极限。我们进一步表明，这种低效率可以通过四个物理参数来预测：热力学驱动力、燃料分解速率、燃料分解与马达运动之间的耦合以及无驱动马达运动的速率。这些物理见解可能有助于未来分子马达的设计。
