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HomeTopicsInformatics, Modeling & Simulation

Topic: Informatics, Modeling & Simulation

Simplified Crossover Droplet Model for Adsorption of Critical and Supercritical Fluids in Slit Nano-Pores

Kiselev S.B., Ely J.F., Colorado School of Mines, US
We present a a simplified crossover droplet (SCD) model for the excess adsorption of pure fluids at a flat solid-liquid interface in the volume and slit nano pores, which reproduces scaling behavior of the excess [...]

Recent Advances in the Characterization of Free Volume in Model Fluids and Polymers: Shape and Connectivity

Willmore F.T., Sanchez I.C., University of Texas, US
The solubility and diffusivity of a penetrant species in an amorphous material are determined by the nanoscale properties of its free volume. Positron Annihilation Lifetime Spectroscopy, mechanical measurements of equation of state behavior, and Voronoi [...]

Atomic and Mesoscale Modelling of Nanoscale Phenomena

Bioinspired Miniaturization – Stretching Information from Coherence to Dissipation for Nano-to-Micro Integrated Intelligent Systems

Santoli S., International Nanobiological Testbed Ltd., IT
From previous results attained on the basis of thermodynamics, statistical physics and nanobiology it is shown that Artificial Intelligence (AI) concepts and their hard-wired implementations cannot satisfy the physical conditions for mimicking biological intelligence and [...]

Johnson-Kendall-Roberts Theory Applied to Living Cells

Chu Y-S, Dufour S., Thiery J.-P., Perez E., Pincet F., Laboratoire de Physique Statistique de l'ENS, FR
Cell adhesion is involved in a number of biological processes ranging from transport to the defenses of organisms. A quantitative understanding of the adhesion of cells is not often possible owing to their complexity in [...]

Ion Channel Simulations by the TR-PNP Model and the Excess Chemical Potential Approach

Hu S., Hess K., Beckman Institute, University of Illinois at Urbana-Champaign, US
We describe a new method referred to as TR-PNP model to study general types of nanostructure ion channels. Our method extends the common continuum methods to include particle like properties, such as the ion trapping [...]

Systems Biology Conceptual Modeling by Means of Discrete-event Simulation (DNA-RNA-Protein)

Yeol J.W., Barjis I., Barjis J., Barjis I., Barjis J., Berri S., Ryu Y., Polytechnic University, US
In this paper discrete-event simulation modeling technique is used to model and simulate biological processes. In particular, we study application of discrete-event simulation to model processes taking place in Glycolosis and capture dynamic behavior of [...]

A Multi-scale, Integrative Model of Cellular Electrophysiological Response Incorporating Intra/Extra-cellular Transport & Dynamics

Feng J.J., Krishnamoorthy S., Sundaram S., CFD Research Corporation, US
Spurred by the growing confluence of nano and bio technologies, several novel micro/nano platforms (see for example, whole cell patch clamp devices [1]) are emerging for the high-throughput and/or high-fidelity study of the electrophysiological response [...]

Application of Grid Focusing Methodology to Transport Monte Carlo Model for Ion Channel Simulations

Kathawala G.A., van der Straaten T., Ravaioli U., University of Illinois at Urbana-Champaign, US
Simulation of Ion Channels has long been an outstanding research problem in the biophysical community. Our transport Monte Carlo model BioMOCA is a particle based approach where we treat water implicitly. It has been used [...]

Interaction of Coupled Particles Based on Lennard-Jones and Spring Forces in Brownian Ratchet Devices

Retkute R., Gleeson J.P., University College Cork, IE
Electrophoresis is a technique used to separate polyelectrolyte strands of different lengths. One of its fields of application in nanotechnology is in the separation of DNA. Chains of particles can undergo net transport on a [...]

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