Determination of Dynamical Heterogeneity from Dynamic Neutron Scattering of Proteins

Motional displacements of hydrogen (H) in proteins can be measured using incoherent neutron-scattering methods. These displacements can also be calculated numerically using data from molecular dynamics simulations. An enormous amount of data on the average mean-square motional displacement (MSD) of H as a function of protein temperature, hydration, and other conditions has been collected. H resides in a wide spectrum of sites in a protein. Some H are tightly bound to molecular chains, and the H motion is dictated by that of the chain. Other H are quite independent. As a result, there is a distribution of motions and MSDs of H within a protein that is denoted dynamical heterogeneity. The goal of this paper is to incorporate a distribution of MSDs into models of the H incoherent intermediate scattering function, $I\left(Q,t\right)$, that is calculated and observed. The aim is to contribute information on the distribution as well as on the average MSD from comparison of the models with simulations and experiment. For example, we find that simulations of $I\left(Q,t\right)$ in lysozyme are well reproduced if the distribution of MSDs is bimodal with two broad peaks rather than a single broad peak.     

The effects of fasting on swimming performance in juvenile qingbo (Spinibarbus sinensis) at two temperatures

We measured the following variables to investigate the effects of fasting and temperature on swimming performance in juvenile qingbo (Spinibarbus sinensis): the critical swimming speed (U_crit), resting metabolic rate ${(\dot{\mathrm{M}}O}_{\mathrm{2rest}})$ and active metabolic rate ${(\dot{\mathrm{M}}O}_{2active})$ of fish fasting for 0 (control), 1, 2 and 4 weeks at low and high acclimation temperatures (15 and 25 °C). Both fasting treatment and temperature acclimation had significant effects on all parameters measured (P<0.05). Fasting at the higher temperature had a negative effect on all measured parameters after 1 week (P<0.05). However, when acclimated to the lower temperature, fasting had a negative effect on U_crit until week 2 and on ${(\dot{\mathrm{M}}O}_{\mathrm{2rest}})$, ${(\dot{\mathrm{M}}O}_{\mathrm{2active}})$ and metabolic scope (MS, ${(\dot{\mathrm{M}}O}_{\mathrm{2active}})$–${(\dot{\mathrm{M}}O}_{\mathrm{2rest}})$) until week 4 (P<0.05). The values of all parameters at the lower temperature were significantly lower than those at the higher temperature in the identical fasting period groups except for ${(\dot{\mathrm{M}}O}_{\mathrm{2rest}})$ of the fish that fasted for 2 weeks. The relationship between fasting time (T) and U_crit was described as U_crit(15)=−0.302T²−0.800T+35.877 (r=0.781, n=32, P<0.001) and U_crit(25)=0.471T²−3.781T+50.097 (r=0.766, n=32, P<0.001₎ at 15 and 25 °C, respectively. The swimming performance showed less decrease in the early stage of fasting but more decrease in the later stage at the low temperature compared to the high temperature, which might be related to thermal acclimation time, resting metabolism, respiratory capacity, energy stores, enzyme activity in muscle tissue and energy substrate utilization changes with fasting between low and high temperatures. The divergent response of the swimming performance to fasting in qingbo at different temperatures might be an adaptive strategy to seasonal temperature and food resource variation in their habitat.     

A Model for the Transient Subdiffusive Behavior of Particles in Mucus

In this study we have applied a model to explain the reported subdiffusion of particles in mucus, based on the measured mean squared displacements ($MSD$). The model considers Brownian diffusion of particles in a confined geometry, made from permeable membranes. The applied model predicts a normal diffusive behavior at very short and long time lags, as observed in several experiments. In between these timescales, we find that the “subdiffusive” regime is only a transient effect, $MSD\propto {\tau }^{\alpha },\alpha <1$. The only parameters in the model are the diffusion-coefficients at the limits of very short and long times, and the distance between the permeable membranes L. Our numerical results are in agreement with published experimental data for realistic assumptions of these parameters. Finally, we show that only particles with a diameter less than 40 nm are able to pass through a mucus layer by passive Brownian motion.