Paper List
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Ill-Conditioning in Dictionary-Based Dynamic-Equation Learning: A Systems Biology Case Study
This paper addresses the critical challenge of numerical ill-conditioning and multicollinearity in library-based sparse regression methods (e.g., SIND...
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Hybrid eTFCE–GRF: Exact Cluster-Size Retrieval with Analytical pp-Values for Voxel-Based Morphometry
This paper addresses the computational bottleneck in voxel-based neuroimaging analysis by providing a method that delivers exact cluster-size retrieva...
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abx_amr_simulator: A simulation environment for antibiotic prescribing policy optimization under antimicrobial resistance
This paper addresses the critical challenge of quantitatively evaluating antibiotic prescribing policies under realistic uncertainty and partial obser...
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PesTwin: a biology-informed Digital Twin for enabling precision farming
This paper addresses the critical bottleneck in precision agriculture: the inability to accurately forecast pest outbreaks in real-time, leading to su...
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Equivariant Asynchronous Diffusion: An Adaptive Denoising Schedule for Accelerated Molecular Conformation Generation
This paper addresses the core challenge of generating physically plausible 3D molecular structures by bridging the gap between autoregressive methods ...
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Omics Data Discovery Agents
This paper addresses the core challenge of making published omics data computationally reusable by automating the extraction, quantification, and inte...
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Single-cell directional sensing at ultra-low chemoattractant concentrations from extreme first-passage events
This work addresses the core challenge of how a cell can rapidly and accurately determine the direction of a chemoattractant source when the signal is...
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SDSR: A Spectral Divide-and-Conquer Approach for Species Tree Reconstruction
This paper addresses the computational bottleneck in reconstructing species trees from thousands of species and multiple genes by introducing a scalab...
ATP Level and Phosphorylation Free Energy Regulate Trigger-Wave Speed and Critical Nucleus Size in Cellular Biochemical Systems
School of Physics, Center for Quantitative Biology, Peking University, Beijing 100871, China
30秒速读
IN SHORT: This work addresses the core challenge of quantitatively predicting how the cellular energy state (ATP level and phosphorylation free energy) governs the speed, direction, and critical initiation size of propagating biochemical trigger waves.
核心创新
- Methodology Develops a thermodynamically consistent reaction-diffusion framework that treats ATP concentration ([ATP]) and the nonequilibrium parameter γ (=[ATP]/(Keq[ADP][Pi])) as independent control variables for analyzing trigger waves.
- Biology Identifies the intracellular energetic state as a direct regulator of trigger-wave behavior, quantitatively linking metabolic conditions (ATP/ADP/Pi ratio) to spatiotemporal propagation dynamics.
- Theory Derives analytical expressions showing that the critical excitation radius (Rc) for sustained wave propagation depends on both [ATP] and γ, with scaling Rc ∝ 1/√[ATP] under specific approximations.
主要结论
- ATP concentration ([ATP]) and the phosphorylation free energy parameter (γ) jointly regulate trigger-wave speed (c0), with a dominant scaling c0 ∝ √[ATP] in the forward propagation regime.
- The sign of the potential difference (ΔF) between bistable states, determined by [ATP] and γ, dictates wave propagation direction (forward for ΔF<0, reverse for ΔF>0), with a stationary interface at ΔF=0.
- The critical nucleus radius (Rc) for sustained spherical wave propagation is inversely related to wave speed (Rc = D(d-1)/c0), leading to the prediction that higher [ATP] reduces the minimum trigger size required (Rc ∝ 1/√[ATP]).
摘要: Trigger waves are self-regenerating propagating fronts that emerge from the coupling of nonlinear reaction kinetics and diffusion. In cells, trigger waves coordinate large-scale processes such as mitotic entry and stress responses. Although the roles of circuit topology and feedback architecture in generating bistability are well established, how nonequilibrium energetic driving shapes wave propagation is less well understood. Here, we employ a thermodynamically consistent reaction–diffusion framework to investigate trigger-wave dynamics in ATP-dependent phosphorylation–dephosphorylation systems. We first recapitulate general expressions for trigger-wave speed in the bistable regime and analyze curvature-induced corrections that determine the minimum critical nucleus required for sustained propagation in higher dimensions. We then apply this framework to two representative systems, treating ATP concentration and the nonequilibrium parameter γ=[ATP]/(Keq[ADP][Pi]) as independent control variables to examine how energetic driving regulates wave propagation. Our results show that ATP and γ not only modulate wave speed, but can also reverse the direction of propagation and reshape the parameter regime supporting trigger waves. The critical excitation radius also depends on both ATP concentration and phosphorylation free energy. These findings identify the intracellular energetic state as a regulator of trigger-wave behavior, linking metabolic conditions to the spatial dynamics of wave propagation. More broadly, this framework connects classical reaction–diffusion theory with ATP-driven biochemical regulation and provides a general perspective on related energy-dependent cellular decision-making processes.