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We have adapted a set of classification algorithms, also known as Machine Learning, to the identification of fluid and gel domains close to the main transition of dipalmitoyl-phosphatidylcholine (DPPC) bilayers. Using atomistic molecular…

Soft Condensed Matter · Physics 2023-07-19 Viven Walter , Céline Ruscher , Olivier Benzerara , Carlos M. Marques , Fabrice Thalmann

Most biological molecules contain acido-basic groups that modulate their structure and interactions. A consequence is that pH gradients, local heterogeneities and dynamic variations are used by cells and organisms to drive or regulate…

We discuss the role coarse-grained models play in the investigation of the structure and thermodynamics of bilayer membranes, and we place them in the context of alternative approaches. Because they reduce the degrees of freedom and employ…

Soft Condensed Matter · Physics 2009-11-11 Marcus Mueller , Kirill Katsov , Michael Schick

Bayesian interpretations of neural processing require that biological mechanisms represent and operate upon probability distributions in accordance with Bayes' theorem. Many have speculated that synaptic failure constitutes a mechanism of…

Neurons and Cognition · Quantitative Biology 2022-10-05 Kevin McKee , Ian Crandell , Rishidev Chaudhuri , Randall O'Reilly

Membrane pores are implicated in several critical functions, including cell fusion and the transport of signaling molecules for intercellular communication. However, these structural features are often difficult to probe directly. Droplet…

Soft Condensed Matter · Physics 2025-11-13 Nivedina A. Sarma , David A. King , Xuefei Wu , Brett A. Helms , Paul D. Ashby , Thomas P. Russell , Ahmad K. Omar

In recent years, convolutional neural networks (CNNs) have experienced an increasing interest in their ability to perform a fast approximation of effective hydrodynamic parameters in porous media research and applications. This paper…

Machine Learning · Computer Science 2022-04-14 Stephan Gärttner , Faruk O. Alpak , Andreas Meier , Nadja Ray , Florian Frank

Filter-exchange imaging (FEXI) has already been utilized in several biomedical studies for evaluating the permeability of cell membranes. The method relies on suppressing the extracellular signal using strong diffusion weighting (the…

Medical Physics · Physics 2022-09-13 Mohammad Khateri , Marco Reisert , Alejandra Sierra , Jussi Tohka , Valerij G. Kiselev

The penetration of atomic hydrogen through defect-free graphene was generally predicted to have a barrier of at least several eV, which is much higher than the 1 eV barrier measured for hydrogen-gas permeation through pristine graphene…

Materials Science · Physics 2023-07-26 Wenqi Xiong , Weiqing Zhou , Pengzhan Sun , Shengjun Yuan

In this paper we demonstrate a quantitative way to measure the membrane potential of live cells by dielectric spectroscopy. We also show that the values of the membrane potential obtained using our technique are in good agreement with those…

Soft Condensed Matter · Physics 2009-09-15 Corina Bot , Camelia Prodan

This article presents a novel computational model to study the selective filtering of biological hydrogels due to the surface charge and size of diffusing particles. It is the first model that includes the random 3D fiber orientation and…

We present a method of deriving two boundary conditions at a thin membrane for diffusion from experimental data. This method can be really useful in complex membrane systems in which we do not know mechanisms of processes occurring within…

Statistical Mechanics · Physics 2018-08-01 Katarzyna D. Lewandowska , Tadeusz Kosztołowicz

The flow of micropolar fluid through a membrane modeled as a swarm of solid cylindrical particles with porous layer using the cell model technique is considered. The flow is directed perpendicular to the axis of the cylinders. Boundary…

Fluid Dynamics · Physics 2019-09-04 D. Yu. Khanukaeva , A. N. Filippov , P. K. Yadav , A. Tiwari

Membrane ultrafiltration (UF) is a pressure driven process allowing for the separation and enrichment of protein solutions and dispersions of nanosized microgel particles. The permeate flux and the near-membrane concentration-polarization…

Soft Condensed Matter · Physics 2015-05-19 Rafael Roa , Emiliy K. Zholkovskiy , Gerhard Nägele

Process optimization of photovoltaic devices is a time-intensive, trial and error endeavor, without full transparency of the underlying physics, and with user-imposed constraints that may or may not lead to a global optimum. Herein, we…

Probabilistic inference provides a language for describing how organisms may learn from and adapt to their environment. The computations needed to implement probabilistic inference often require specific representations, akin to having the…

Molecular Networks · Quantitative Biology 2018-06-28 Yarden Katz , Michael Springer , Walter Fontana

Pore network modelling has traditionally been used to study displacement processes in idealized porous media related to geological flows, with applications ranging from groundwater hydrology to enhanced oil recovery. Very recently, pore…

Fluid Dynamics · Physics 2008-04-15 A. Bazylak , V. Berejnov , B. Markicevic , D. Sinton , N. Djilali

We present a continuum model trained on molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid types. The model is constructed within the formalism of dynamic density functional theory and can be…

Predicting whether a molecule can cross the blood-brain barrier (BBB) is a key step in early-stage neuro-pharmaceutical design, directly influencing the efficiency and success rate of drug development. Traditional methods based on…

Quantitative Methods · Quantitative Biology 2026-03-16 Zihan Yang , Yuchen Xiao

Living organisms rely on molecular networks, such as gene circuits and signaling pathways, for information processing and robust decision-making in crowded, noisy environments. Recent advances show that interacting biomolecules…

A common problem in natural sciences is the comparison of competing models in the light of observed data. Bayesian model comparison provides a statistically sound framework for this comparison based on the evidence each model provides for…

Machine Learning · Statistics 2022-03-23 Jan Boelts