Villumsenrouse5729

The separation factors of the order of 1017 are achieved using single crystals of zeolite, which are less than 1 μm long. The conditions for including the hot zone may be experimentally realizable in the future considering the rapid advances in nanoscale thermometry. The separation process is likely to be energetically more efficient by several orders of magnitude as compared to the existing methods of separation, making the method very green.Single-particle tracking (SPT) experiments of lipids and membrane proteins provide a wealth of information about the properties of biomembranes. Careful analysis of SPT trajectories can reveal deviations from ideal Brownian behavior. Among others, this includes confinement effects and anomalous diffusion, which are manifestations of both the nanoscale structure of the underlying membrane and the structure of the diffuser. With the rapid increase in temporal and spatial resolution of experimental methods, a new aspect of the motion of the particle, namely, anisotropic diffusion, might become relevant. This aspect that so far received only little attention is the anisotropy of the diffusive motion and may soon provide an additional proxy to the structure and topology of biomembranes. Unfortunately, the theoretical framework for detecting and interpreting anisotropy effects is currently scattered and incomplete. Here, we provide a computational method to evaluate the degree of anisotropy directly from molecular dynamics simulations and also point out a way to compare the obtained results with those available from SPT experiments. In order to probe the effects of anisotropic diffusion, we performed coarse-grained molecular dynamics simulations of peripheral and integral membrane proteins in flat and curved bilayers. In agreement with the theoretical basis, our computational results indicate that anisotropy can persist up to the rotational relaxation time [τ=(2Dr)-1], after which isotropic diffusion is observed. Moreover, the underlying topology of the membrane bilayer can couple with the geometry of the particle, thus extending the spatiotemporal domain over which this type of motion can be detected.Advances in high-precision dielectric spectroscopy have enabled access to non-linear susceptibilities of polar molecular liquids. The observed non-monotonic behavior has been claimed to provide strong support for theories of dynamic arrest based on the thermodynamic amorphous order. Here, we approach this question from the perspective of dynamic facilitation, an alternative view focusing on emergent kinetic constraints underlying the dynamic arrest of a liquid approaching its glass transition. We derive explicit expressions for the frequency-dependent higher-order dielectric susceptibilities exhibiting a non-monotonic shape, the height of which increases as temperature is lowered. We demonstrate excellent agreement with the experimental data for glycerol, challenging the idea that non-linear response functions reveal correlated relaxation in supercooled liquids.The hemoglobin concentration of 35 g/dl of human red blood cells is close to the solubility threshold. ABT-199 molecular weight Using microwave dielectric spectroscopy, we have assessed the amount of water associated with hydration shells of methemoglobin as a function of its concentration in the presence or absence of ions. We estimated water-hemoglobin interactions to interpret the obtained data. Within the concentration range of 5-10 g/dl of methemoglobin, ions play an important role in defining the free-to-bound water ratio competing with hemoglobin to recruit water molecules for the hydration shell. At higher concentrations, hemoglobin is a major contributor to the recruitment of water to its hydration shell. Furthermore, the amount of bound water does not change as the hemoglobin concentration is increased from 15 to 30 g/dl, remaining at the level of ∼20% of the total intracellular water pool. The theoretical evaluation of the ratio of free and bound water for the hemoglobin concentration in the absence of ions corresponds with the experimental results and shows that the methemoglobin molecule binds about 1400 water molecules. These observations suggest that within the concentration range close to the physiological one, hemoglobin molecules are so close to each other that their hydration shells interact. In this case, the orientation of the hemoglobin molecules is most likely not stochastic, but rather supports partial neutralization of positive and negative charges at the protein surface. Furthermore, deformation of the red blood cell shape results in the rearrangement of these structures.Ligand-protected gold nanoclusters (AuNCs) feature a dense but finite electronic structure that can be rationalized using qualitative descriptions such as the well-known superatomic model and predicted using quantum chemical calculations. However, the lack of well-resolved experimental probes of a AuNC electronic structure has made the task of evaluating the accuracy of electronic structure descriptions challenging. We compare electronic absorption spectra computed using time-dependent density functional theory to recently collected high resolution experimental spectra of Au9(PPh3)8 3+ and Au8(PPh3)7 2+ AuNCs with strikingly similar features. After applying a simple scaling correction, the computed spectrum of Au8(PPh3)7 2+ yields a suitable match, allowing us to assign low-energy metal-metal transitions in the experimental spectrum. No similar match is obtained after following the same procedure for two previously reported isomers for Au9(PPh3)8 3+, suggesting either a deficiency in the calculations or the presence of an additional isomer. Instead, we propose assignments for Au9(PPh3)8 3+ based off of similarities Au8(PPh3)7 2+. We further model these clusters using a simple particle-in-a-box analysis for an asymmetrical ellipsoidal superatomic core, which allows us to reproduce the same transitions and extract an effective core size and shape that agrees well with that expected from crystal structures. This suggests that the superatomic model, which is typically employed to explain the qualitative features of nanocluster electronic structures, remains valid even for small AuNCs with highly aspherical cores.