Enhanced Gas Absorption in the Ionic Liquid 1‑<i>n</i>‑Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide ([hmim][Tf₂N]) Confined in Silica Slit Pores: A Molecular Simulation Study

Two-dimensional <i>NP_xyT</i> and isostress-osmotic (<i>N</i>₂<i>P</i>_<i>xy</i><i>Tf</i>₁) Monte Carlo simulations were used to compute the density and gas absorption properties of the ionic liquid (IL) 1-<i>n</i>-hexyl-3-methylimidazolium bis­(trifluoromethylsulfonyl)­amide ([hmim]­[Tf₂N]) confined in silica slit pores (25–45 Å). Self-diffusivity values for both gas and IL were calculated from <i>NVE</i> molecular dynamics simulations using both smooth and atomistic potential models for silica. The simulations showed that the molar volume of [hmim]­[Tf₂N] confined in 25–45-Å silica slit pores is 12–31% larger than that of the bulk IL at 313–573 K and 1 bar. The amounts of CO₂, H₂, and N₂ absorbed in the confined IL are 1.1–3 times larger than those in the bulk IL because of the larger molar volume of the confined IL compared to the bulk IL. The CO₂, N₂, and H₂ molecules are generally absorbed close to the silica wall where the IL density is very low. This arrangement causes the self-diffusivities of these gases in the confined IL to be 2–8 times larger than those in the bulk IL at 298–573 K. The solubilities of water in the confined and bulk ILs are similar, which is likely due to strong water interactions with [hmim]­[Tf₂N] through hydrogen bonding, so that the molar volume of the confined IL plays a less important role in determining the H₂O solubility. Water molecules are largely absorbed in the IL-rich region rather than close to the silica wall. The self-diffusivities of water correlate with those of the confined IL. The confined IL exhibits self-diffusivities larger than those of the bulk IL at lower temperatures, but smaller than those of the bulk IL at higher temperatures. The findings from our simulations are consistent with available experimental data for similar confined IL systems

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Microsatellite data of the individuals included in the study. The first column entitled population includes the abbreviation for population affinity of the individuals, see Fig. 1 in the paper. The following columns contain allele 1 and 2 for each loci used in the analysi

Additional file 1: Figure S1. of MiR-199a/b-3p inhibits gastric cancer cell proliferation via down-regulating PAK4/MEK/ERK signaling pathway

Enrichment analysis of predicted miR-199a/b-3p targets in GCBI pathway database; Figure S2. MiR-199a/b-3p over-expression and PAK4 knockdown inhibited the cell proliferation ability of GC cell line 7901 in vitro as analyzed by CCK-8 assay; Table S1. The association of miR-199a/b-3p relative expression with the clinic-pathological characteristics in 20 GC patients; Table S2. Primers used in this study; Table S3. TargetScan prediction of miR-199a/b-3p target sites in PAK4; Table S4. Sequences of miR-199a/b-5p and miR-199a/b-3p; Table S5. Top 25 predicted targets of miR-199-3p/5p sorted by aggregate PCT (DOCX 535 kb

Sampling details for 29 <i>B. dorsalis</i> populations used in this study.

<p>Sampling details for 29 <i>B. dorsalis</i> populations used in this study.</p

Estimated membership probabilities (Q) of 21 <i>B. dorsalis</i> populations into 10 hypothetical ancestry clusters inferred by STRUCTURE.

<p>The highest value of co-ancestry of each population is in bold. Values higher than 0.10 are italics.</p

Mean assignment rates of individuals into (rows) and from (column) each population estimated by GENECLASS 2.0.

<p>Values in bold indicated the proportions of individuals assigned to the same population. Values of m above 0.05 are bold italics and above 0.1 are italics.</p

Genetic diversity indices based on mitochondrial data.

<p>Average number of pairwise differences between all pairs of haplotypes within populations (π), nucleotide diversity, number of private haplotypes, number of haplotypes and haplotype distribution for each sampled population of <i>B. dorsalis</i>, numbers in brackets correspond to the number of individuals with this haplotype.</p

Modified Method for Measuring the Solubility of Pharmaceutical Compounds in Organic Solvents by Visual Camera

A modified synthetic method with a high definition visual camera technique for measuring the solubility of solutes in solvents or mixed solvents was proposed. To verify the reliability of the experimental apparatus, the solubility of NH₄Cl in water was determined at different temperatures. The relative standard errors were less than 1%, compared to the literature data. The solubilities of betulonic acid in six organic solvents from (278.15 to 313.15) K were measured and correlated with the Apelblat equation and universal quasichemical equation, respectively. The modified method was quite concise and user-friendly, and made the process of dissolution to become visualized and automatic

SAMOVA results based on mitochondrial and microsatellite markers.

<p><i>D</i>: Tajiama's <i>D</i>; <i>Fs</i> : Fu's <i>Fs</i> are given for the SAMOVA groups based on mitochondrial data.</p>**<p>P<0.001.</p

Neighbor-joining unrooted trees based on both molecular markers.

<p>A: unrooted tree based on mitochondrial genetic distances (F_ST) matrix. B: unrooted tree based on the proportion of shared alleles for microsatellite data. Numbers at each node indicated the bootstrap values after 1000 replicates. Only values above 50% are shown.</p