相关论文: Molecular mechanisms driving the microgels behavio…
The interpretation electrical phenomena in biomembranes is usually based on the assumption that the experimentally found discrete ion conduction events are due to a particular class of proteins called ion channels while the lipid membrane…
A polymer shell offers a unique opportunity to tailor structural and optical properties of optically functional nanoparticles and their ensembles. Here, we develop a process to coat Mie-resonant silicon nanospheres (Si NSs) with a…
We present an active learning framework for efficiently generating training data for machine-learned interatomic potentials (MLIPs). The method combines local entropy-driven molecular dynamics with global dataset-aware filtering: a…
Nanostructured polymer-metal oxide composites are a current research area of great importance due to its highlight applications in sensors, optics, catalysts and drug delivery. Particularly the use of thermoresponsive polymers gives more…
Responsive poly-N-isopropylacrylamide-based microgels are commonly used as model colloids with soft repulsive interactions. It has been shown that the microgel-microgel interaction in solution can be easily adjusted by varying the…
We propose a theory based on non-equilibrium thermodynamics to describe the mechanical behavior of an active polymer gel created by the inclusion of molecular motors in its solvent. When activated, these motors attach to the chains of the…
Nano-graphene /polymer composites can functionas pressure induced electro-switches, at concentrations around their conductivity percolation threshold. Close to the critical point, the pressure dependence of the electron tunneling through…
The mechanical properties of polymer gels based on cytoskeleton proteins (e.g. actin) have been studied extensively due to their significant role in biological cell motility and in maintaining the cell's structural integrity. Microrheology…
Particle surface chemistry and internal softness are two fundamental parameters in governing the mechanical properties of dense colloidal suspensions, dictating structure and flow, therefore of interest from materials fabrication to…
The combination of soft responsive particles, such as microgels, with nanoparticles (NPs) yields highly versatile complexes of great potential for applications, from ad-hoc plasmonic sensors to controlled protocols for loading and release.…
Photoinduced force microscopy (PiFM) enables nanoscale visualization of optical responses by directly detecting photoinduced forces without relying on luminescence. In molecular assemblies, intermolecular polarization coupling can generate…
Polymer materials with low water uptake exhibit a highly heterogeneous interior, characterized by water clusters in the form of nanodroplets and nanochannels. Here, based on our recent insights from computer simulations, we argue that water…
We study lipid translocation ("flip-flop") between the leaflets of a planar lipid bilayer with transition path sampling (TPS). Rare flip-flops compete with biological machineries that actively establish asymmetric lipid compositions.…
A statistical model of resistor network is proposed to describe a polymer structure and to simulate the real and imaginary components of its ac resistivity. It takes into account the polydispersiveness of the material as well as intrachain…
All cells must sustain ionic motive forces (IMFs) -- the electrochemical gradients of permeant ions, together with the membrane potential they produce -- to regulate intracellular pH, drive secondary transport, and power ATP synthesis.…
Fundamental understanding of the effect of microscopic parameters on the dynamics of probe particles in different complex environments has wide implications. Examples include diffusion of proteins in the biological hydrogels, porous media,…
Microgels made of poly(N-isopropylacrylamide) are the prototype of soft, thermoresponsive particles widely used to study fundamental problems in condensed matter physics. However, their internal structure is far from homogeneous, and…
Intramolecular symmetry-adapted perturbation theory (ISAPT) is a method to compute and decompose the noncovalent interaction energy between two molecular fragments A and B connected via a linker C. The existing ISAPT algorithm displays…
Aggregation of amphiphiles through the action of hydrophobic interactions is a common feature in soft condensed matter systems and is of particular importance in the context of biophysics as it underlies both the generation of functional…
In order to allow the simultaneous transport of hydrophilic and hydrophobic substances, polymeric networks with finely distributed hydrophilic and hydrophobic components are very suitable. When designing new soft materials like coatings, in…