11 research outputs found
An Ab Initio Description of the Mott Metal-Insulator Transition of M Vanadium Dioxide
Using an \textit{ab initio} approach based on the GW approximation which
includes strong local \textbf{k}-space correlations, the Metal-Insulator
Transition of M vanadium dioxide is broken down into its component parts
and investigated. Similarly to the M structure, the Peierls pairing of
the M structure results in bonding-antibonding splitting which stabilizes
states in which the majority of the charge density resides on the Peierls
chain. This is insufficient to drop all of the bonding states into the lower
Hubbard band however. An antiferroelectric distortion on the neighboring
vanadium chain is required to reduce the repulsion felt by the Peierls bonding
states by increasing the distances between the vanadium and apical oxygen
atoms, lowering the potential overlap thus reducing the charge density
accumulation and thereby the electronic repulsion. The antibonding states are
simultaneously pushed into the upper Hubbard band. The data indicate that
sufficiently modified GW calculations are able to describe the interplay of the
atomic and electronic structures occurring in Mott metal-insulator transitions.Comment: 10 Pages, 7 Figure
Size Effects of Pore Density and Solute Size on Water Osmosis through Nanoporous Membrane
Understanding the behavior of osmotic transport across
nanoporous
membranes at molecular level is critical to their design and applications,
and it is also beneficial to the comprehension of the mechanism of
biological transmembrane transport processes. Pore density is an important
parameter for nanoporous membranes. To better understand the influence
of pore density on osmotic transport, we have performed systematic
molecular dynamics simulations on water osmosis across nanoporous
membranes with different pore densities (i.e., number of pores per
unit area of membrane). The simulation results reveal that significant
size effects occur when the pore density is so high that the center-to-center
distance between neighboring nanopores is comparable to the solute
size. The size effects are independent of the pore diameter and solute
concentration. A simple quantitative correlation between pore density,
solute size, and osmotic flux has been established. The results are
excellently consistent with the theoretical predictions. It is also
shown that solute hydration plays an important role in real osmotic
processes. Solute hydration strengthens the size effects of pore density
on osmotic processes due to the enlarged effective solute size induced
by hydration. The influence of pore density, solute size, and solute
hydration on water osmosis through nanoporous membranes can be introduced
to eliminate the deviations of real osmotic processes from ideal behavior
Expression of neurabin and spinophilin in the mouse brain at 4 and 12 months of age.
<p>Total brain lysates were subjected to western blot. Neurabin, spinophilin, PP1γ and tubulin (loading control) were detected by respective antibodies. (A) representative westerns. (B) Quantification of expression levels of neurabin, spinophilin and PP1γ in the WT mouse brain at different ages. Data are presented as mean ± SEM. n = 3 for each group.</p
Immobility time of NrbKO and SpKO mice in FST at 11–13 months of age (middle-aged).
<p>(A) Immobility time (in sec) in each trial for age- and strain-matched WT (n = 8) and neurabin KO (n = 8) mice tested in parallel. (B) Immobility time in each trial for age- and strain-matched WT (n = 9) and spinophilin KO (n = 9) mice tested in parallel. Data are mean ± SEM. **, <i>p</i><0.01, NrbKO <i>vs</i>. WT; ****, <i>p</i><0.0001, SpKO <i>vs</i>. WT by post hoc Sidak's multiple comparison test following two-way ANOVA.</p
Elevated zero maze (EZM) analysis of mice at 3–5 months of age (young adult).
<p>Age- and strain-matched WT (n = 16) mice were evaluated in parallel with NrbKO (n = 9) and SpKO (n = 8) mice. (A) The percentage of time spent in the open versus closed regions of the EZM during the entire trial time. (B) Total distance traveled during the entire EZM trial time. (C) Entries into the open and closed area of EZM during the trial. Data are mean ± SEM. **, <i>p</i><0.01, NrbKO <i>vs</i>. WT by Student’s <i>t</i> test.</p
Two-way ANOVA table for Fig 3B.
<p>Two-way ANOVA table for <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0180638#pone.0180638.g003" target="_blank">Fig 3B</a>.</p
EZM analysis of at 11–13 months of age (middle aged).
<p>Age- and strain-matched WT (n = 17) mice were evaluated in parallel with NrbKO (n = 8) and SpKO (n = 9) mice. (A) The percentage of time spent in the open and closed area of EZM over the total trial time. (B) Total distance traveled during the EZM trial. (C) Entries into the open and closed area of EZM during the trial. Data are mean ± SEM. **, <i>p</i><0.01; ***, <i>p</i><0.001, SpKO <i>vs</i>. WT by Student’s <i>t</i> test.</p
Open-field (OF) analysis of mice at 3–5 months of age (young adult).
<p>Age- and strain-matched wild-type (WT, n = 16) mice were evaluated in parallel with neurabin KO (NrbKO, n = 9) and spinophilin KO (SpKO, n = 8) mice. (A) The percent of time spent in center during the entire OF trial time (i.e., center exploration time). (B) Total distance traveled during the entire OF trial time. Data are mean ± SEM.</p
Two-way ANOVA table for Fig 3A.
<p>Two-way ANOVA table for <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0180638#pone.0180638.g003" target="_blank">Fig 3A</a>.</p
OF analysis of at 11–13 months of age (middle-aged).
<p>Age- and strain-matched WT (n = 17) mice were evaluated in parallel with NrbKO (n = 8) and SpKO (n = 9) mice. (A) The percent of time spent in center over the total trial time. (B) Total distance traveled during the OF trial. Data are mean ± SEM. **, <i>p</i><0.01, SpKO <i>vs</i>. WT by Student’s <i>t</i> test.</p