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Recent years have seen a surge of interest in nanopores because such structures show a strong potential for characterizing nanoparticles, proteins, DNA, and even single molecules. These systems have been extensively studied in experiment as…

Soft Condensed Matter · Physics 2016-06-22 Georg Rempfer , Sascha Ehrhardt , Christian Holm , Joost de Graaf

Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…

Computational Physics · Physics 2025-07-25 Elyar Tourani , Brian J. Edwards , Bamin Khomami

The limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number and extent (in size and time) of MD…

Many forms of programmable matter have been proposed for various tasks. We use an abstract model of self-organizing particle systems for programmable matter which could be used for a variety of applications, including smart paint and…

Emerging Technologies · Computer Science 2017-10-24 Alexandra Porter , Andréa W. Richa

Accurately measuring the size, morphology, and structure of nanoparticles is very important, because they are strongly dependent on their properties for many applications. In this paper, we present a deep-learning based method for…

Materials Science · Physics 2022-07-29 Claudius Zelenka , Marius Kamp , Kolja Strohm , Akram Kadoura , Jacob Johny , Reinhard Koch , Lorenz Kienle

Unlike molecular crystals, soft self-assembled fibres, micelles, vesicles, etc., exhibit a certain order in the arrangement of their constitutive monomers, but also high structural dynamicity and variability. Defects and disordered local…

Soft Condensed Matter · Physics 2021-12-16 Andrea Gardin , Claudio Perego , Giovanni Doni , Giovanni Maria Pavan

Organic molecular crystals encompass a vast range of materials from pharmaceuticals to organic optoelectronics and proteins to waxes in biological and industrial settings. Crystal defects from grain boundaries to dislocations are known to…

Materials Science · Physics 2023-09-01 Sang T. Pham , Natalia Koniuch , Emily Wynne , Andy Brown , Sean M. Collins

Addressing the optical properties of a single nanoparticle in the infrared is particularly challenging, thus alternative methods for characterizing the conductance spectrum of nanoparticles in this spectral range need to be developed. Here…

Mesoscale and Nanoscale Physics · Physics 2017-10-17 Hongyue Wang , Emmanuel Lhuillier , Qian Yu , Alexandre Zimmers , Benoit Dubertret , Christian Ulysse , Hervé Aubin

The short and intense pulses of the new X-ray free electron lasers, now operational or under construction, may make possible diffraction experiments on single molecule-sized objects with high resolution, before radiation damage destroys the…

Data Analysis, Statistics and Probability · Physics 2012-04-11 Miklós Tegze , Gábor Bortel

The transport of bio-particles in viscous flows exhibits a rich variety of dynamical behaviour, such as morphological transitions, complex orientation dynamics or deformations. Characterising such complex behaviour under well controlled…

Single-cell proteomics (SCP) is transforming our understanding of biological complexity by shifting from bulk proteomics, where signals are averaged over thousands of cells, to the proteome analysis of individual cells. This granular…

Quantitative Methods · Quantitative Biology 2025-04-01 Amanda Momenzadeh , Jesse G. Meyer

Motivation: Cellular Electron CryoTomography (CECT) enables 3D visualization of cellular organization at near-native state and in sub-molecular resolution, making it a powerful tool for analyzing structures of macromolecular complexes and…

Quantitative Methods · Quantitative Biology 2017-04-14 Min Xu , Xiaoqi Chai , Hariank Muthakana , Xiaodan Liang , Ge Yang , Tzviya Zeev-Ben-Mordehai , Eric Xing

Single Particle Tracking (SPT) is a powerful class of tools for analyzing the dynamics of individual biological macromolecules moving inside living cells. The acquired data is typically in the form of a sequence of camera images that are…

Biomolecules · Quantitative Biology 2020-01-23 Ye Lin , Sean B. Andersson

Advanced photonic tools may enable researchers and clinicians to visualize, track, control and manipulate biological processes at the single-cell level in space and time. Biological systems are complex and highly organized on both spatial…

Optics · Physics 2021-11-30 Alina Karabchevsky , Tal Elbaz , Aviad Katiyi , Ofer Prager , Alon Friedman

We describe a simple automated method to extract and quantify transient heterogeneous dynamical changes from large datasets generated in single molecule/particle tracking experiments. Based on wavelet transform, the method transforms raw…

Data Analysis, Statistics and Probability · Physics 2013-06-04 Kejia Chen , Bo Wang , Juan Guan , Steve Granick

The spatial structure of the cell is highly organized at all levels: from small complexes and assemblies, to local nano- and micro-clusters, to global, micrometer scales across and between cells. We suggest that this multiscale spatial cell…

Biomolecules · Quantitative Biology 2013-08-06 Ruth Nussinov

Single polymer dynamics offers a powerful approach to study molecular-level interactions and dynamic microstructure in materials. Direct visualization of single chain dynamics has uncovered new ideas regarding the rheology and…

Soft Condensed Matter · Physics 2018-07-03 Charles M. Schroeder

Single molecule detection has revolutionised the fields of chemistry and biology by offering powerful ways to study individual molecules under different scenarios. Nanophotonic structures, including plasmonic antennas, significantly…

Biological Physics · Physics 2022-01-31 Pamina M. Winkler , Thomas S. van Zanten , Satyajit Mayor , Maria F. Garcia-Parajo

Nanoparticles introduced in living cells are capable of strongly promoting the aggregation of peptides and proteins. We use here molecular dynamics simulations to characterise in detail the process by which nanoparticle surfaces catalyse…

Biomolecules · Quantitative Biology 2010-06-08 Stefan Auer , Antonio Trovato , Michele Vendruscolo

In this work, we present the development of a neuro-inspired approach for characterizing sensorimotor relations in robotic systems. The proposed method has self-organizing and associative properties that enable it to autonomously obtain…

Robotics · Computer Science 2019-05-02 Omar Zahra , David Navarro-Alarcon