相关论文: Subtle pH differences trigger single residue motio…

Material parameters such as thermal diffusivity govern how microstructural fields evolve during processing, but difficult to measure directly. The Stability-Aware Frozen Euler Physics-Informed Tracking for Continuum Mechanics (SAFE-PIT-CM),…

Heterogeneous catalysis of adsorbates on metallic surfaces mediated by plasmon has potential high photoelectric conversion efficiency and controllable reaction selectivity. Theoretical modeling of dynamical reaction processes provides…

The ability to acquire large-scale recordings of neuronal activity in awake and unrestrained animals poses a major challenge for studying neural coding of animal behavior. We present a new instrument capable of recording intracellular…

We propose a framework to study the spatio-temporal evolution of liquid-liquid phase separation of weak polyelectrolytes in ionic solutions. Unlike strong polyelectrolytes, which carry a fixed charge, the charge state of weak…

Cardiac motion over a cardiac cycle is crucial for quantifying regional function and is strongly affected by cardiovascular diseases. Since temporally dense mesh sequences are difficult to obtain in practice, we focus on leveraging the more…

In this paper, we quantify weak protein protein interactions in solution using Cross-Interaction Chromatography (CIC) and Surface Plasmon Resonance (SPR) and demonstrate that they can be modulated by the addition of free amino acids. With…

Due to the time-scale limitations of all-atom simulation of proteins, there has been substantial interest in coarse-grained approaches. Some methods, like "Resolution Exchange," [E. Lyman et al., Phys. Rev. Lett. 96, 028105 (2006)] can…

Like many other biological processes, calcium dynamics in neurons containing an endoplasmic reticulum are governed by diffusion-reaction equations on interface-separated domains. Interface conditions are typically described by systems of…

FeFETs hold strong potential for advancing memory and logic technologies, but their inherent randomness arising from both operational cycling and fabrication variability poses significant challenges for accurate and reliable modeling.…

In a recent work we proposed a coarse-grained methodology for studying the response of peptides when simulated at different values of pH; in this work we extend the methodology to analyze the pH-dependent behavior of coiled coils. This…

The coordination complexes of Yb(III) exhibit some of the longest spin coherence times among 4f compounds, making them a promising platform for molecular quantum technologies. While spin-phonon relaxation remains a limiting factor for…

With the advent of optical clocks featuring fractional frequency uncertainties on the order of $10^{-17}$ and below, new applications such as chronometric levelling with few-cm height resolution emerge. We are developing a transportable…

We have developed a quantitative model for the creation of cytoplasmic Ca2+ gradients near the inner surface of the plasma membrane (PM). In particular we simulated the refilling of the sarcoplasmic reticulum (SR) via PM-SR junctions during…

This paper focuses on the study of the Filament Based Lamellipodium Model (FBLM) and the corresponding Finite Element Method (FEM) from a numerical point of view. We study fundamental numerical properties of the FEM and justify the further…

Engineering the free-energy surfaces (FES) of proteins and peptides is central to controlling conformational ensembles and their responses to perturbations. However, predicting how chemical modifications such as point mutations reshape the…

The influence of chemical composition changes on the room temperature mechanical proper-ties in the C15 CaAl2 Laves phase were investigated in two off-stoichiometric compositions with 5.7 at.-% Mg addition (Ca33Al61Mg6) and 10.8 at.-% Mg…

Celitement is a new type of cement that is based on hydraulic calcium-hydrosilicate (hCHS) that possesses a potential for minimizing the ratio C/S from above 3 in OPC down to 1, which significantly reduces the amount of CO$_2$ released…

Interactions of Poly (Ethylene Oxide) [PEO] and gamma irradiation of variable doses (1-30 kGy) on the thermal, crystalline and structural properties are investigated using DSC and FTIR technique. Two states of PEO, viz. powder (P-S-series)…

We report a method to control the conformation of a weak polyampholyte (the protein $\beta$-casein) in Langmuir monolayers by light, even though the protein is not photosensitive. Our approach is to couple the monolayer state to a…

Understanding how biological neural networks are shaped via local plasticity mechanisms can lead to energy-efficient and self-adaptive information processing systems, which promises to mitigate some of the current roadblocks in edge…