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NiFe oxyhydroxide is one of the most promising oxygen evolution reaction (OER) catalysts for renewable hydrogen production, and deciphering the identity and reactivity of the oxygen intermediates on its surface is a key challenge but is…
How internal forces are transduced into motion through soft, fluid membranes remains a fundamental question in the study of active systems. To investigate this coupling, we develop a minimal system consisting of a single ferromagnetic…
Recent surveys have shown that the number of nanoparticle-based formulations actually used at the clinical level is significantly lower than expected a decade ago. One reason for this is that the nanoparticle physicochemical properties fall…
Spinterface engineering has shown quite important roles in organic spintronics as it can improve spin injection or extraction. In this study, 11,11,12,12-tetracyanonaptho-2,6-quinodimethane (TNAP) is introduced as an interfacial layer for a…
Hypotheses: Additives are commonly used to tune macromolecular conformational transitions. Among additives, trehalose is an excellent bioprotectant and among responsive polymers, PNIPAM is the most studied material. Nevertheless, their…
Self-positioned nanomembranes such as rolled-up tubes and wrinkled thin films have been potential systems for a variety of applications and basic studies on elastic properties of nanometer-thick systems. Although there is a clear driving…
We present path integral Monte Carlo simulation results for the equation of state of solid parahydrogen between $ 0.024 \, {\r{A}}^{-3} $ and $ 0.1 \, {\r{A}}^{-3} $ at $ T = 4.2 \, $ K. The simulations are performed using non-additive…
Geometric frustration among competing spin exchanges can give rise to novel quantum phases by enhancing fluctuations that drive magnetic systems beyond the classical regime. We investigate the frustrated array of strongly correlated spin…
We perform molecular dynamics simulations on an interacting electron gas confined to a cylindrical surface and subject to a radial magnetic field and the field of the positive background. In order to study the system at lowest energy states…
Mucin glycoprotein consist of tandem repeating glycosylated regions flanked by non-repetitive protein domains with little glycosylation. These non-repetitive domains are involved in the pH dependent gelation of gastric mucin, which is…
Epitaxial MnTe films have recently seen a spur of research into their altermagnetic semiconducting properties. However, those properties may be extremely sensitive to structural and chemical modifications. We report a detailed investigation…
Segments with the amino acid sequence EKAYLRT appear in natural occurring proteins both in $\alpha$-helices and $\beta$-sheets. For this reason, we have use this peptide to study how secondary structure formation in proteins depends on the…
We study interactions between biological cells that apply anisotropic active mechanical forces on an elastic substrate. We model the cells as thin discs that along their perimeters apply radial, but angle-dependent forces on the substrate.…
We perform traction experiments on simple liquids highly confined between parallel plates. At small separation rates, we observe a simple response corresponding to a convergent Poiseuille flow. Dramatic changes in the force response occur…
Multicomponent lipid mixtures exhibit complex phase behavior, including coexistence of nanoscopic fluid phases in ternary mixtures mimicking the composition of the outer leaflet of mammalian plasma membrane. The physical mechanisms…
We compute effective energies of thin bilayer structures composed by soft nematic elastic-liquid crystals in various geometrical regimes and functional configurations. Our focus is on order-strain interaction in elastic foundations composed…
We analyze the standard model of enzyme-catalyzed reactions at various substrate-enzyme ratios to identify the regions of validity of the quasi-steady-state approximation. Certain prevalent conditions are checked and compared against the…
The microscopic mechanisms involved in the formation/dissociation of methane hydrate confined at the nanometer scale are unraveled using advanced molecular modeling techniques combined with a mesoscale thermodynamic approach. By means of…
Lubricated contacts in soft materials are important in various engineering systems and natural settings. Three major lubrication regimes are boundary (BL), mixed (ML), and elasto-hydrodynamic (EHL) lubrication, where the contact region is…
Generally, carbohydrate-active enzymes are studied using chromogenic substrates that provide quick and easy color-based detection of enzyme-mediated hydrolysis. In the case of feruloyl esterases, commercially available chromogenic ferulate…