Related papers: Site-Selective Dynamics of Azidolysozyme
The structure and energetics of Ge substitutional defects on the alpha-Sn/Ge(111) surface are analyzed using Density Functional Theory (DFT) molecular dynamics (MD) simulations. An isolated Ge defect induces a very local distortion of the…
Alloyed MnxZn1_xPS3 samples have been grown covering the whole compositional range and studied by means of Raman spectroscopy at temperatures covering from 4K up to 850K. Our results, supported by SQUID magnetic measurements, allowed, from…
In this work we present a detailed Raman scattering investigation of zinc oxide and aluminum-doped zinc oxide (AZO) films characterized by a variety of nanoscale structure and morphology and synthesized by pulsed laser deposition (PLD)…
We examine the continuum variability of active galactic nuclei (AGNs) by analyzing the multi-epoch spectroscopic data from the Sloan Digital Sky Survey. To achieve this, we utilized approximately 2 million spectroscopy pairwise combinations…
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…
Since AlN has emerged as an important piezoelectric material for a wide variety of applications, efforts have been made to increase its piezoelectric response via alloying with transition metals that can substitute for Al in the wurtzite…
We use density functional theory (DFT) calculations to study the lattice vibrations and electronic properties of the correlated metal LaNiO$_3$. To characterize the rhombohedral to cubic structural phase transition of perovskite LaNiO$_3$,…
We study the metastable dynamics of a discretised version of the mass-conserving stochastic Allen-Cahn equation. Consider a periodic one-dimensional lattice with $N$ sites, and attach to each site a real-valued variable, which can be…
Here we reveal details of the interaction between human lysozyme proteins, both native and fibrils, and their water environment by intense terahertz time domain spectroscopy. With the aid of a rigorous dielectric model, we determine the…
Radio-frequency electric-dipole transitions between nearly degenerate, opposite parity levels of atomic dysprosium (Dy) were monitored over an eight-month period to search for a variation in the fine-structure constant, $\alpha$. The data…
We present the frequency- and temperature-dependent dielectric properties of lysozyme solutions in a broad concentration regime, measured at subzero temperatures and compare the results with measurements above the freezing point of water…
We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…
We present the results of a pilot survey for neutral hydrogen (HI) 21 cm absorption in the Arecibo Legacy Fast Arecibo L-Band Feed Array (ALFALFA) Survey. This project is a wide-area "blind" search for HI absorption in the local universe,…
The size-dependent phase stability of gamma-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For the gamma-Al2O3 crystal, a bulk transformation to alpha-Al2O3 by an FCC-to-HCP…
We present the self-dynamics of protein amino acids of hydrated lysozyme powder around the physiological temperature by means of molecular dynamics (MD) simulations. The self-intermediate scattering functions (SISF) of the amino acid…
This paper presents the first detailed investigation of the characteristics of mm/submm phase fluctuation and phase correction methods obtained using ALMA with baseline lengths up to ~15 km. Most of the spatial structure functions (SSFs)…
Damped Lyman-alpha (DLA) and sub-DLA absorbers in quasar spectra provide the most sensitive tools for measuring element abundances of distant galaxies. Estimation of abundances from absorption lines depends sensitively on the accuracy of…
Using the framework of nonlinear fluctuating hydrodynamics (NFH), we examine equilibrium spatio-temporal correlations in classical ferromagnetic spin chains with nearest neighbor interactions. In particular, we consider the classical…
Aluminum hydride (alane) AlH_3 is an important material in hydrogen storage applications. It is known that AlH_3 exists in multiply forms of polymorphs, where $\alpha$-AlH_3 is found to be the most stable with a hexagonal structure. Recent…
The possibilities to tune the structure of solid like material resulting from arrested spinodal decomposition is investigated using a system composed of lysozyme, a globular protein, dispersed in a water solution as model system for…