Intracellular protein filaments are ubiquitous for cellular functions, but forming bona fide biomimetic intracellular of small molecules in living cells remains elusive. Here, we report the situ formation self-limiting a peptide via enzymatic morphological transition phosphorylated and trimethylated heterochiral tetrapeptide. Enzymatic dephosphorylation reduces repulsive intermolecular electrostatic interactions converts peptidic nanoparticles into filaments, which exhibit distinct types...

Recent studies have reported long-range charge transport in peptide- and protein-based fibers wires, rendering this class of materials as promising charge-conducting interfaces between biological systems electronic devices. In the complex molecular environment biomolecular building blocks, however, it is unclear which chemical structural dynamic features support conductivity. Here, we investigate role finite temperature fluctuations on structure its implications for conductivity a...

Recent studies have reported long-range charge transport in peptide- and protein-based fibers wires, rendering this class of materials as promising charge-conducting interfaces between biological systems electronic devices. In the complex molecular environment biomolecular building blocks, however, it is unclear which chemical structural dynamic features support conductivity. Here, we investigate role finite temperature fluctuations on structure its implications for conductivity a...

Polyethylene terephthalate (PET) depolymerization in base/alcohol hybrid systems represents a promising low-energy approach for chemically recycling PET waste into valuable monomers. This study investigates the mechanistic pathways of NaOH/alcohol solutions, emphasizing competing roles hydroxide and alkoxide species. Utilizing combination experimental techniques, density functional theory (DFT) calculations, molecular dynamics (MD) simulations, we explore how factors such as base...

For polymer-blend films, local dynamics in confined polymer domains tend to differ from the bulk because of significant contributions polymer–polymer interface. Herein, we investigated diffusion entangled thin films between different polymers a direction perpendicular surface using neutron reflectivity. We found that bilayer poly(methyl methacrylate) (PMMA) and deuterated PMMA (dPMMA) sandwiched polystyrene (PS) layers exhibited increase mobility near interface with decreasing thickness....

Lipid bilayers are a model system for studying the properties of cell membranes. For lipid single component, there is phase transition from fluid to gel as temperature decreased. The dynamic behavior lipids in interesting: some models show heterogeneity with large disparity timescales between fast and slow molecules, spatial segregation molecules. In this paper we study dynamics coarse-grained using dry Martini, Lennard-Jones polarizable BMW models. All four similar dynamical behaviors...

Abstract Synthesis of binary nanoparticle superlattices has attracted attention for a broad spectrum potential applications. However, this remained challenging one-dimensional systems. In study, we investigate the packing behavior nanoparticles different diameters into hexagonally packed cylindrical micellar system and demonstrate that two symmetries can be obtained by tuning particle diameter mixing ratios. The hexagonal arrays are embedded in honeycomb lattices (for AB 2 type) or kagome 3...

The diffusion of cholesterol in biological membranes is critical to cellular processes such as the formation cholesterol-enriched domains. may be complicated especially when flip-flops and/or stays at membrane center. Understanding mechanism a molecular level should be, therefore, topic interest. We perform dynamics simulations up 100 μs for lipid bilayers with various concentrations cholesterol. find that liquid ordered phase depends on whether it within leaflets or bilayer center,...

We demonstrate an in-line polarization controller based on a hollow optical fiber filled with nematic liquid crystal by fabricating thin-film electrodes the cladding of fiber. The consists three control sections fixed optic axes, which operate as phase retarders. retardation in each section is controlled magnitude applied electric field. full wave voltage ∼85 V.

Proteins are promising components for bioelectronic devices due in part to their biocompatibility, flexibility, and chemical diversity, which enable tuning of material properties. Indeed, an increasingly broad range conductive protein supramolecular materials have been reported. However, structural environmental complexity, the electronic structure, hence conductivity, assemblies is not well-understood. Here we perform all-atom simulation physical structure a recently synthesized...

Cell membranes are heterogeneous with a variety of lipids, cholesterol, and proteins composed domains different compositions. Such environments make the transport cholesterol complicated: not only diffuses within particular domain but also travels between domains. Cholesterol flip-flops upper lower leaflets such that may reside both in central region two leaflets. How presence multiple interdomain exchange would affect transport, however, remains elusive. In this study, therefore, we perform...

A simulation snapshot for a nanoparticle in thin polymer film and phase diagram the spatial arrangement of within film.

The addition of nanoparticles (NPs) to a free-standing polymer film affects the properties such as viscosity and glass transition temperature. Recent experiments, for example, showed that temperature thin films was dependent on how NPs were distributed within films. However, spatial arrangement in its effect diffusion polymers remain elusive at molecular level. In this study, we employ generic coarse-grained models perform extensive dynamics simulations investigate We find small are likely...

The morphological structure and dynamics of confined polymers adjacent to the polymer–polymer interface have a profound effect on determining overall physical properties polymer blends. We measured diffusion poly(methyl methacrylate) (PMMA) melts between polystyrene (PS) layers using neutron reflectivity. Combinations various thicknesses PMMA deuterated (dPMMA) allowed us experimentally reveal nonmonotonic behavior mobility near PS–PMMA interface. From reflectivity results, we found that...

Intermolecular interactions between cholesterol and lipids in cell membranes, which play critical roles cellular processes such as the formation of nano-domains, depend on molecular structure lipids. The diffusion spatial arrangement within lipid membranes also change with type For example, flip-flop, an important transport mechanism for can be facilitated significantly by presence unsaturated However, how affects dynamics remains elusive at a level. In this study, we investigate effects...

The dynamic heterogeneity and the translation-rotation decoupling are signatures of glasses supercooled liquids. Whether how would relate to local structure has been a puzzle for decades. In this work we perform molecular dynamics simulations tracers in both two-dimensional polydisperse colloids (2DPC) binary (2DBC). 2DPC glasses, hexatic structures develop at low enough temperatures grow quickly along with correlation length 2DPC, which is well known as medium-range crystalline order...

Surface functionalization of nanoparticles with reactive ligands can be employed to facilitate the internalization into cell via a non-equilibrium transport mechanism.

Superconducting properties of thin film MgB2 superconductors irradiated with 45 MeV <TEX>${\alpha}$</TEX>-particle beam were studied. After the irradiation, enhancement critical current density and pinning force was observed, scaling close to strong formula. Double logarithmic plots maximum irreversible magnetic field show a power law behavior carbon-doped or polycrystals. Variation normalized in reduced suggests formulas for mechanism like planar defects. We also observed rapid decay as...

Recent studies have reported long-range charge transport in peptide- and protein-based fibers wires, rendering this class of materials as promising charge-conducting interfaces between biological systems electronic devices. In the complex molecular environment biomolecular building blocks, however, it is unclear which chemical structural dynamic features support conductivity. Here, we investigate role finite temperature fluctuations on structure its implications for conductivity a...

Structure and Dynamics of dilute two-dimensional (2D) ring polymer solutions are investigated by using discontinuous molecular dynamics simulations. A solvent molecules modeled as a tangent-hard disc chain hard discs, respectively. Some confined inside the 2D unlike in linear or three-dimensional solutions. The structure polymers change significantly with number () such polymers. mean-squared radius gyration increases scales scaling exponent that depends on . When is large enough, , which...