相关论文: Detection of residual native state entropy changes…
Molecular dynamics simulations are used to study the occupancy and flow of water through nanotubes comprised of hydrophobic and hydrophilic atoms, which are arranged on a honeycomb lattice to mimic functionalized carbon nanotubes (CNTs). We…
We report Nuclear Magnetic Resonance (NMR) data for both the In(1) and In(2) sites in the heavy fermion material CeRhIn$_5$ under hydrostatic pressure. The Knight shift data reveal a suppression of the hyperfine coupling to the In(1) site…
In order to gain insight into suppression of the ferromagnetic ordering temperature, local studies utilizing 99,101Ru zero-field spin-echo NMR, along with complimentary magnetization, high-angle x-ray diffraction, and Ru K-edge XAFS…
We investigate dynamical coupling between water and amino acid side-chain residues in solvation dynamics by selecting residues often used as natural probes, namely tryptophan, tyrosine and histidine, located at different positions on…
In-situ NMR spin-lattice relaxation measurements were performed on several vapor deposited ices. The measurements, which span more than 6 orders of magnitude in relaxation times, show a complex spin-lattice relaxation pattern that is…
Small single-domain proteins often exhibit only a single free-energy barrier, or transition state, between the denatured and the native state. The folding kinetics of these proteins is usually explored via mutational analysis. A central…
Fluctuations in parameters that are typically treated as fixed play a crucial role in the behavior of complex systems. However, to date, we lack a general non-equilibrium thermodynamic treatment of such a complex system. In this Letter, to…
Domain phases in ultrathin Fe/Ni/W(110) films with perpendicular anisotropy have been studied using the ac magnetic susceptibility. Dynamics on time scales of minutes to hours were probed by quenching the system from high temperature to the…
We develop equation of state (EoS) of proto-neutron stars (PNSs) at various stages of evolution by varying entropy per baryon $S$, using the Korea-IBS-Daegu-SKKU density functional model. With finite values for both temperature and density,…
Measurement-induced phase transition (MIPT) describes the nonanalytical change of the entanglement entropy resulting from the interplay between measurement and unitary evolution. In this paper, we investigate the relaxation critical…
The neutrino fast flavor instability (FFI) can change neutrino flavor on time scales of nanoseconds and length scales of centimeters. It is expected to be ubiquitous in core-collapse supernovae and neutron star mergers, potentially…
Vibrational entropy plays a central role in determining phase stability and temperature dependent behavior in materials, yet its calculation from first-principles phonon methods remains computationally demanding. In this work, we combine…
We study the non-Markovian folding dynamics of the $\alpha$3D protein under low- and neutral-pH conditions. Recently published all-atom simulations of $\alpha$3D by the Shaw group reveal that lowering the pH significantly reduces both…
Azido-modified alanine residues (AlaN$_3$) are environment-sensitive, minimally invasive infrared probes for the site-specific investigation of protein structure and dynamics. Here, the capability of the label is investigated to query…
Hydrated proteins undergo a transition in the deeply supercooled regime, which is attributed to rapid changes in hydration water and protein structural dynamics. Here, we investigate the nanoscale stress relaxation in hydrated lysozyme…
The many body quantum dynamics of dipolar coupled nuclear spins I = 1/2 on an otherwise isolated cubic lattice are studied with nuclear magnetic resonance (NMR). By increasing the signal-to-noise ratio by two orders of magnitude compared…
We introduce a simple theoretical approach for an equilibrium study of proteins with known native state structures. We test our approach with results on well-studied globular proteins, Chymotrypsin Inhibitor (2ci2), Barnase and the alpha…
Planar oxygen nuclear magnetic resonance (NMR) relaxation and shift data from all cuprate superconductors available in the literature are analyzed. They reveal a temperature independent pseudogap at the Fermi surface, which increases with…
The Tsallis entropy and Fisher information entropy (matrix) are very important quantities expressing information measures in nonextensive systems. Stationary and dynamical properties of the information entropies have been investigated in…
In a compressed Nuclear Matter (NM) an increasing pressure between the nucleons starts to increase the ratio of a nucleon Fermi to average single particle energy and in accordance with the Hugenholtz-van Hove theorem the longitudinal…