A5035077015- Lipid Membrane Structure and Behavior
- Spectroscopy and Quantum Chemical Studies
- Protein Structure and Dynamics
- Theoretical and Computational Physics
- Surfactants and Colloidal Systems
- Material Dynamics and Properties
- Force Microscopy Techniques and Applications
- Metabolomics and Mass Spectrometry Studies
- Pickering emulsions and particle stabilization
- Advanced Thermodynamics and Statistical Mechanics
- Microfluidic and Bio-sensing Technologies
- Mass Spectrometry Techniques and Applications
- Liquid Crystal Research Advancements
- Fluid Dynamics and Thin Films
- Rheology and Fluid Dynamics Studies
- RNA Interference and Gene Delivery
- Micro and Nano Robotics
- Nanomaterials and Printing Technologies
- Characterization and Applications of Magnetic Nanoparticles
- Material Properties and Processing
- Cellular Mechanics and Interactions
- Topological and Geometric Data Analysis
- Electrostatics and Colloid Interactions
- Advanced NMR Techniques and Applications
- thermodynamics and calorimetric analyses
Institut Charles Sadron
2014-2025
Université de Strasbourg
2014-2023
Centre National de la Recherche Scientifique
2011-2023
Institut de Physique et Chimie des Matériaux de Strasbourg
2022
University of Puerto Rico at Carolina
2017-2018
ESPCI Paris
2007
Sorbonne Université
2007
Laboratoire de Dynamique des Fluides
2003
Institut de Physique
2003
University of Manchester
2002
Ab initio RNA secondary structure predictions have long dismissed helices interior to loops, so-called pseudoknots, despite their structural importance. Here, we report that many pseudoknots can be predicted through time scales folding simulations, which follow the stochastic closing and opening of individual helices. The numerical efficacy these simulations relies on an O(n^2) clustering algorithm computes averages over a continously updated set n reference structures. Applying this exact...
Lipid membranes have complex compositions, and modeling the thermodynamic properties of multi-component lipid systems remains a remote goal. In this work, we attempt to describe thermodynamics binary mixtures by mapping coarse-grained molecular dynamics two-dimensional simple fluid mixtures. By computing analyzing density fluctuations model bilayer, determine numerical value quadratic coupling term appearing in regular solutions for...
We propose to characterize the shapes of flat pebbles in terms statistical distribution curvatures measured along pebble contour. This is demonstrated for erosion clay a controlled laboratory apparatus. Photographs at various stages are analyzed, and compared with two models. find that curvature complements usual measurement aspect ratio, connects naturally processes typically faster protruding regions high curvature.
We introduce a coarse-grained model for hydroperoxide lipid bilayers.
We introduce a simple and predictive model for determining the phase stability of ternary phospholipid-cholesterol mixtures. Assuming that competition between liquid gel order phospholipids is main driving force behind lipid segregation, we derive Gibbs free energy mixing, based on thermodynamic properties lipids transition. A numerical approach was devised enables fast efficient determination diagrams associated with our energy. The computed coexistence diagram DOPC/DPPC/cholesterol...
Force sensing and generation at the tissue cellular scale is central to many biological events. There a growing interest in modern cell biology for methods enabling force measurements vivo. Optical trapping allows noninvasive probing of piconewton forces thus emerged as promising mean assessing biomechanics Nevertheless, main obstacles lie accurate determination trap stiffness heterogeneous living organisms, any position where used. A proper calibration required performing reliable Here we...
We introduce a general methodology based on magnetic colloids to study the recognition kinetics of tethered biomolecules. Access full reaction is provided by an explicit measure time evolution reactant densities. Binding between single ligand and its complementary receptor here limited colloidal rotational diffusion. It occurs within binding distance that can be extracted reaction-diffusion theory properly accounts for Brownian dynamics. Our geometry allows us probe large diversity...
The distribution of an anionic surfactant, sodium dodecyl sulfate (SDS), in waterborne acrylic films was investigated, focusing on the effects particle composition and size, pH latex. observed surfactant distributions could be classified two categories: homogeneous heterogeneous, latter showing SDS aggregates. shape profiles related to stability latex during drying, at short interparticular distances. determined by presence or not fixed charges surface particles. latices with particles...
Cubosomes consist in submicron size particles of lipid bicontinuous cubic phases stabilized by surfactant polymers.
This paper presents a simulation tool applied to latex film formation by drying, hybrid between classical numerical resolution method using finite differences and cellular automata, making use of object-oriented programming. It consists dividing real space into cells applying local physical laws simulate the exchange matter neighboring cells. In first step, was simple case vertical drying containing only one population monodisperse particles water. Our results show how distribution evolves...
The waxy epicuticle of dragonfly wings contains a unique nanostructured pattern that exhibits bactericidal properties. In light emerging concerns antibiotic resistance, these mechano-bactericidal surfaces represent particularly novel solution by which bacterial colonization and the formation biofilms on biomedical devices can be prevented. Pathogenic medical implant cause significant number human deaths every year. proposed mechanism activity is through mechanical cell rupture; however, this...
Following our previous contribution ( Gromer, A. et al. Langmuir 2015 , 31 10983 - 10994 ) presenting a new simulation tool devoted to particle distributions in drying latex films, this Article describes the prediction of surfactant concentration profiles vertical direction during complete film formation process. The is inspired by cellular automata and equations Routh co-workers. It includes effects that were not considered before: convection water desorption upon deformation. based on five...
Gel lamellar networks are creamy formulations where the basic unit of network is a bilayer self-assembled from mixtures fatty alcohols and surfactants. The authors introduce an all-atom model for molecular dynamic simulations that successfully accounts formation bilayers in such mixtures, thus paving way understanding macroscopic properties these gels.
Machine learning algorithms can identify fluid and gel conformation states of individual lipid molecules.
This paper focuses on the temporal discretization of Langevin dynamics, and different resulting numerical integration schemes. Using a method based exponentiation time dependent operators, we carefully derive scheme for which found equivalent to proposal Ermak Buckholtz [J. Comput. Phys. 35, 169 (1980)] not simply stochastic version velocity-Verlet algorithm. However, checked simulations that both algorithms give similar results, share same “weak order two” accuracy. We then apply strategy...
Significance Accumulation of nanopollutants in lifeforms has become the subject increasing concern, but effects are not understood. Biological systems inherently complex, and therefore any small variations on membrane properties can potentially perturb cell functionality. In this study we observe that presence styrene oligomers lipid membranes alters their phase behavior, with stronger changes occurring more complex systems, which could translate into potential cellular disruption. This...
We discuss the theory of ligand receptor reactions between two freely rotating colloids in close proximity to one other. Such reactions, limited by rotational diffusion, arise magnetic bead suspensions where beads are driven into contact an applied field as they align chainlike structures. By a combination reaction−diffusion theory, numerical simulations, and heuristic arguments, we compute time required for reaction occur number experimentally relevant situations. find all cases that is...
Stained end-grafted DNA molecules about $20\text{ }\text{ }\ensuremath{\mu}\mathrm{m}$ long are scraped away and stretched out by the spreading front of a bioadhesive vesicle. Tethered biotin ligands bind vesicle bilayer to streptavidin substrate, stapling DNAs into frozen confinement paths. Image analysis stapled gives access, within optical resolution, local stretching values individual swept front, provides evidence self-entanglements.
Confocal laser scanning microscopy image of a fluorescent supported lipid bilayer exposed to 15 mM solution α-cyclodextrin.