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In this work the authors study the multiphase flow soft-sensing problem based on a previously established framework. There are three functional modules in this framework, namely, a transient well flow model that describes the response of…

Methodology · Statistics 2015-06-22 Xiaodong Luo , Rolf J. Lorentzen , Andreas S. Stordal , Geir Nævdal

A major challenge in nonadiabatic molecular dynamics is to automatically and objectively identify the key reaction coordinates that drive molecules toward distinct excited-state decay channels. Traditional manual analyses are inefficient…

Chemical Physics · Physics 2025-11-18 Hangxu Liu , Yifei Zhu , Zhenggang Lan

The flux limited Keller-Segel (FLKS) system is a macroscopic model describing bacteria motion by chemotaxis which takes into account saturation of the velocity. The hyper-bolic form and some special parabolic forms have been derived from…

Analysis of PDEs · Mathematics 2018-01-23 Benoît Perthame , Nicolas Vauchelet , Zhian Wang

We develop a theory of enzyme catalysis within biological cells where the substrate concentration [S](t) is time dependent, in contrast to the Michaelis-Menten theory that assumes a steady state. We find that the time varying concentration…

Statistical Mechanics · Physics 2011-05-27 Biman Jana , Biman Bagchi

The flow regime of micro flow varies from collisionless regime to hydrodynamic regime according to the Knudsen number. On the kinetic scale, the dynamics of micro flow can be described by the linearized kinetic equation. In the continuum…

Computational Physics · Physics 2020-05-27 Chang Liu , Kun Xu

Fluid dynamic equations are valid in their respective modeling scales. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. In order to study multiscale flow evolution…

Numerical Analysis · Mathematics 2017-12-21 Chang Liu , Kun Xu , Quanhua Sun , Qingdong Cai

Thermally activated delayed fluorescence (TADF) is a promising route towards high-efficiency, metal-free organic light-emitting diodes (OLEDs). However, the characterization of TADF kinetics in solid-state thin films is often complicated by…

Applied Physics · Physics 2026-04-10 Daniel Beer , Jonas Weiser , Tom Gabler , Kirsten Zeitler , Carsten Deibel , Christian Wiebeler

The electroosmotic flow of non-Newtonian fluids in deformable microchannels is fundamentally important in the understanding of the hydrodynamics in physiological flows. The performance of these microchannels is governed by the load bearing…

Soft Condensed Matter · Physics 2021-08-19 Siddhartha Mukherjee , Sunando DasGupta , Suman Chakraborty

From multicellular tissues to bacterial colonies, three dimensional cellular structures arise through the interaction of cellular activities and mechanical forces. Simple bacterial communities provide model systems for analyzing such…

Soft Condensed Matter · Physics 2024-01-11 Ana Carpio , Elena Cebrian , David R. Espeso , Perfecto Vidal

One of the principal mechanisms by which surfaces and interfaces affect microbial life is by perturbing the hydrodynamic flows generated by swimming. By summing a recursive series of image systems we derive a numerically tractable…

Soft Condensed Matter · Physics 2016-10-12 Arnold J. T. M. Mathijssen , Amin Doostmohammadi , Julia M. Yeomans , Tyler N. Shendruk

Many chemical reactions in biological cells occur at very low concentrations of constituent molecules. Thus, transcriptional gene-regulation is often controlled by poorly expressed transcription-factors, such as E.coli lac repressor with…

Quantitative Methods · Quantitative Biology 2016-09-27 O. Pulkkinen , R. Metzler

Biochemical processes typically involve huge numbers of individual reversible steps, each with its own dynamical rate constants. For example, kinetic proofreading processes rely upon numerous sequential reactions in order to guarantee the…

Molecular Networks · Quantitative Biology 2009-12-28 Golan Bel , Brian Munsky , Ilya Nemenman

Understanding transcription factor dynamics is crucial for unraveling the regulatory mechanisms of gene expression that underpin cellular function and development. Measurements of transcription factor subcellular movements are essential for…

Quantitative Methods · Quantitative Biology 2025-03-20 Sharva V. Hiremath , Etika Goyal , Gregory T. Reeves , Cranos M. Williams

We present a modelling framework for the dynamics of cells structured by the concentration of a micromolecule they contain. We derive general equations for the evolution of the cell population and of the extra-cellular concentration of the…

Cell Behavior · Quantitative Biology 2024-10-30 Michael Grinfeld , Nigel Mottram , Jozsef Farkas

$\textit{In situ}$ environmental transmission electron microscopy (ETEM) is a powerful tool for observing structural modifications taking place in heterogeneous catalysts under reaction conditions. However, to strengthen the link between…

Materials Science · Physics 2021-03-19 Joshua L. Vincent , Jarod W. Vance , Jayse T. Langdon , Benjamin K. Miller , Peter A. Crozier

The standard two-step model of homogeneous-catalyzed reactions had been theoretically analyzed at various levels of approximations from time to time. The primary aim was to check the validity of the quasi-steady-state approximation, and…

Chemical Physics · Physics 2019-11-14 Kamal Bhattacharyya , Sharmistha Dhatt

Bacterial chemotaxis is one of the most extensively studied adaptive responses in cells. Many bacteria are able to bias their apparently random motion to produce a drift in the direction of the increasing chemoattractant concentration. It…

Soft Condensed Matter · Physics 2018-02-07 E. V. Pankratova , A. I. Kalyakulina , M. I. Krivonosov , S. Denisov , K. M. Taute , V. Yu. Zaburdaev

The ability to predict accurate thermodynamic and kinetic properties in biomolecular systems is of both scientific and practical utility. While both remain very difficult, predictions of kinetics are particularly difficult because rates, in…

Chemical Physics · Physics 2018-06-13 Yong Wang , Omar Valsson , Pratyush Tiwary , Michele Parrinello , Kresten Lindorff-Larsen

Electrochemical kinetics at electrode-electrolyte interfaces are crucial to understand high-rate behavior of energy storage devices. Phase transformation of electrodes is typically treated under equilibrium thermodynamic conditions, while…

Materials Science · Physics 2022-12-15 Rachel C. Kurchin , Dhairya Gandhi , Venkatasubramanian Viswanathan

Metabolic flux balance analyses are a standard tool in analysing metabolic reaction rates compatible with measurements, steady-state and the metabolic reaction network stoichiometry. Flux analysis methods commonly place unrealistic…