Reactive Vortexes in a Naturally Activated Process: Non-Diffusive Rotational Fluxes at Transition State Uncovered by Persistent Homology.

The dynamics of reaction coordinates during barrier-crossing are key to understanding activated processes in complex systems such as proteins. The default assumption from Kramers' physical intuition is that of a diffusion process. However, the dynamics of barrier-crossing in natural complex molecules are largely unexplored.

Identifying Transient Cells During Reprogramming via Persistent Homology.

Single-cell RNA sequencing is a powerful method that helps delineate the regulatory mechanisms shaping the diverse cellular populations. Heterogeneous cell populations consist of individual cells, and the expression of distinct sets of genes can differentiate one sub-population of cells from another, as they are responsible for the emergence of distinct cellular phenotypes. Of particular importance are cells at transition states that bridge these different cellular phenotypes.

Exact Probability Landscapes of Stochastic Phenotype Switching in Feed-Forward Loops: Phase Diagrams of Multimodality.

Feed-forward loops (FFLs) are among the most ubiquitously found motifs of reaction networks in nature. However, little is known about their stochastic behavior and the variety of network phenotypes they can exhibit. In this study, we provide full characterizations of the properties of stochastic multimodality of FFLs, and how switching between different network phenotypes are controlled.

Exact Topology of the Dynamic Probability Surface of an Activated Process by Persistent Homology.

To gain insight into the reaction mechanism of activated processes, we introduce an exact approach for quantifying the topology of high-dimensional probability surfaces of the underlying dynamic processes. Instead of Morse indexes, we study the homology groups of a sequence of superlevel sets of the probability surface over high-dimensional configuration spaces using persistent homology. For alanine-dipeptide isomerization, a prototype of activated processes, we identify locations of probability peaks and connecting ridges, along with measures of their global prominence.

Cell-substrate mechanics guide collective cell migration through intercellular adhesion: a dynamic finite element cellular model.

During the process of tissue formation and regeneration, cells migrate collectively while remaining connected through intercellular adhesions. However, the roles of cell-substrate and cell-cell mechanical interactions in regulating collective cell migration are still unclear. In this study, we employ a newly developed finite element cellular model to study collective cell migration by exploring the effects of mechanical feedback between cell and substrate and mechanical signal transmission between adjacent cells.

Evolution of Coagulation-Fragmentation Stochastic Processes Using Accurate Chemical Master Equation Approach.

Coagulation and fragmentation (CF) is a fundamental process in which smaller particles attach to each other to form larger clusters while existing clusters break up into smaller particles . It is a ubiquitous process that plays important roles in many physical and biological phenomena. CF is typically a stochastic process that often occurs in confined spaces with a limited number of available particles .

A viscoelastic model for axonal microtubule rupture.

Axon is an important part of the neuronal cells and axonal microtubules are bundles in axons. In axons, microtubules are coated with microtubule-associated protein tau, a natively unfolded filamentous protein in the central nervous system. These proteins are responsible for cross-linking axonal microtubule bundles.

Dynamic response of axonal microtubules under suddenly applied end forces.

Axon is a filament in neuronal system and axonal microtubules are bundles in axons. In axons, microtubules are coated with microtubule-associated protein tau, a natively unfolded profuse filamentous protein in the central nervous system. These proteins are responsible for the cross-linked structure of the axonal microtubule bundles.