相关论文: Intrinsic Mean Square Displacements in Proteins
Since the pioneering works of Pethig, Grant and Wuthrich on protein hydration layer, many studies have been devoted to find out if there are any general and universal characteristic features that can distinguish water molecules inside the…
Supersonic turbulence in the interstellar medium (ISM) is believed to decay rapidly within a flow crossing time irrespective of the degree of magnetization. However, this general consensus of decaying magnetohydrodynamic (MHD) turbulence…
Estimating intra- and extra-axonal microstructure parameters, such as volume fractions and diffusivities, has been one of the major efforts in brain microstructure imaging with MRI. The Standard Model (SM) of diffusion in white matter has…
S-nitrosylation, the covalent addition of NO to the thiol side chain of cysteine, is an important post-transitional modification that can alter the function of various proteins. The structural dynamics and vibrational spectroscopy of…
Approximation of entropies of various types using machine learning (ML) regression methods are shown for the first time. The ML models presented in this study define the complexity of the short time series by approximating dissimilar…
Turbulent thermal convection governs heat transport in systems ranging from stellar interiors to industrial heat exchangers. Two-dimensional Rayleigh-B\'enard convection serves as a paradigm for these flows, reproducing key features such as…
Snow depth plays a central role in seasonal snowpack characterization and the terrestrial water cycle, yet remains challenging to estimate at high spatial resolution. Recent studies have shown that repeat-pass interferometric synthetic…
Water diffusion MRI is a very powerful tool for probing tissue microstructure, but disentangling the contribution of compartment-specific structural disorder from cellular restriction and inter-compartment exchange remains an open…
Magnesium hydride (MgH$_2$) has been widely studied for effective hydrogen storage. However, its bulk desorption temperature (553 K) is deemed too high for practical applications. Besides doping, a strategy to decrease such reaction energy…
Protein structure reconstruction from Nuclear Magnetic Resonance (NMR) experiments largely relies on computational algorithms. Recently, some effective low-rank matrix completion (MC) methods, such as ASD and ScaledASD, have been…
The self-diffusion constant D is expressed in terms of transitions among the local minima of the potential (inherent structure, IS) and their correlations. The formulae are evaluated and tested against simulation in the supercooled,…
This article is proposed to investigate the impacts of heat and mass transfer in magnetohydrodynamic casson fluid embedded in porous medium. The generalized solutions have been traced out for the temperature distribution, mass concentration…
Extended X-ray absorption fine structure (EXAFS) spectra are sensitive to thermal disorder and are often used to probe local lattice dynamics. Variations in interatomic distances induced by atomic vibrations are described by the…
The increasing number of protein-based metamaterials demands reliable and efficient theoretical and computational methods to study the physicochemical properties they may display. In this regard, we develop a simulation strategy based on…
A radiative transfer method for the treatment of molecular lines is presented. We apply this method to previous SWAS and ISO observations of water vapor in the source S140 in order to make models to plan for, and to interpret, HIFI data.…
The temperature dependence of hydrogen (H) desorption from Si(100) H-terminated surfaces by a scanning tunneling microscope (STM) is reported for negative sample bias. It is found that the STM induced H desorption rate ($R$) decreases…
The non-Gaussian normal diffusion, i.e., the probability distribution function (PDF) is non-Gaussian but the mean squared displacement (MSD) depends on time linearly, has been observed in particle motions. Here we show by numerical…
Self-diffusion coefficients, $D^*$, are routinely estimated from molecular dynamics simulations by fitting a linear model to the observed mean-squared displacements (MSDs) of mobile species. MSDs derived from simulation exhibit statistical…
Analyzing magnetohydrodynamic (MHD) flows requires accurate predictions of the Lorentz force and energy conversion. Total energy, cross-helicity, and magnetic helicity can be used to investigate energy conservation properties in inviscid…
The shear viscosity of hot nuclear matter is investigated by using the mean free path method within the framework of IQMD model. Finite size nuclear sources at different density and temperature are initialized based on the Fermi-Dirac…