Correlating Li⁺ Solvation Sheath Structure with Interphasial Chemistry on Graphite

In electrolytes with unique electrochemical signature, the structure of Li⁺ solvation sheath was quantitatively analyzed in correlation with its electrochemical behavior on graphitic anodes. For the first time, a direct link between Li⁺ solvation sheath structure and formation chemistry of the solid electrolyte interphase (SEI) is established. Quantum chemistry calculations and molecular dynamics simulations were performed to explain the observed reversed preference of propylene carbonate (PC) over ethylene carbonate (EC) by Li⁺

Armored Nanocones Engraved by Selective Laser Doping Enhanced Plasma Etching for Robust Supertransmissivity

Optical antireflection surfaces equipped with subwavelength nanocone arrays are commonly used to reach broadband supertransmissivity but are limited by the lack of wear resistance. We design and manufacture a structured surface with robust antireflection structures (R-ARS) composed of substrate-engraved nanocone arrays with micro-grid-shaped walls as protective armor. An ultrafast laser beam is used to selectively ablate and dope the metal from the deposited film into the subsurface of optical substrates to strengthen self-assembled nanoparticles formed during plasma etching as masks for nanocones. The untreated microscale metal grids serve as etching masks for the remaining protective armor. The geometrical features of nanocones and spatial distribution of protective armor with a proper duty cycle are theoretically optimized for improvement in both transmissivity and mechanical robustness. We demonstrate armored dense engraved nanocone arrays (with tip diameters of ∼50 nm and heights of ∼0.8 μm) on visible fused silica and infrared semi-insulating SiC with protective micro-square-grid armor. The average transmittances are improved from 93% to over 97% (on 0.4–1.2 μm) for double-face-structured fused silica, and from 60 to 65% (on 3–5 μm) for single-face-structured SiC, with few reductions of fused silica after 150 cycles of severe abrasion (under a pressure of 5.34 MPa) proving the excellent mechanical robust performance of R-ARS

Table_2_Pretreatment with IPA ameliorates colitis in mice: Colon transcriptome and fecal 16S amplicon profiling.xlsx

3-Indolepropionic acid (IPA) is a tryptophan metabolite that has anti-inflammatory properties. The present study try to investigate the phylactic effects of IPA on dextran sodium sulfate (DSS)-induced colitis mice. The results showed that IPA pretreatment ameliorated the DSS-induced decrease in growth performance, and intestinal damage and enhanced immunity in mice. RNA-seq analysis of mouse colon samples revealed that the differentially expressed genes (DEGs) were mainly enriched in immune-related pathways. 16S rRNA sequencing showed that IPA pretreatment ameliorated DSS-induced colonic microbiota dysbiosis. Moreover, the expression levels of gut immune genes were positively correlated with the relative abundance of several probiotics, such as Alloprevotella and Catenibacterium. In conclusion, IPA alleviates DSS-induced acute colitis in mice by regulating inflammatory cytokines, balancing the colonic microbiota and modulating the expression of genes related to inflammation, which would also provide a theoretical basis for IPA as a strategy to improve intestinal health.</p

Molecular Dynamics Simulations and Experimental Study of Lithium Ion Transport in Dilithium Ethylene Dicarbonate

Understanding the properties of the solid electrolyte interphase (SEI) of lithium batteries is important for minimizing interfacial resistance and improving battery safety and cycling. Ion transport has been investigated in the dilithium ethylene dicarbonate (Li₂EDC) component of the SEI by impedance spectroscopy and molecular dynamics (MD) simulations employing a revised many-body polarizable APPLE&P force field. The developed force field accurately described the binding energies in LiCH₃CO₃, its dimer, and Li₂EDC calculated at the G4MP2 and MP2 levels. M05-2X and LC-ωPBE functionals predicted too high binding energy in lithium alkyl carbonates compared to the G4MP2 results, while the MP2 and M06-L predictions agreed well with the G4MP2 data. The conductivity of Li₂EDC at room temperature was found to be 10^–9 S/cm from impedance measurements and extrapolation of MD simulation results. A near Arrhenius temperature dependence of Li₂EDC’s conductivity was found in the MD simulations with an activation energy ranging from 64 to 84 kJ/mol. At room temperature, the lithium transport was subdiffusive on time scales shorter than ∼10^–2 s in MD simulations corresponding to the onset of the plateau of resistivity vs frequency occurring at frequencies lower than 10² Hz. The influence of Li₂EDC ordering on the ion transport was investigated by contrasting supercooled amorphous melts and ordered material. At 393 K Li⁺ transport was heterogeneous, showing chainlike and looplike Li⁺ correlated displacements. The non-Gaussianity of Li⁺ transport was examined. The influence of polarization on the structure of the lithium coordination shell and ion transport has been investigated in the molten phase of Li₂EDC and contrasted with the previous results obtained for room-temperature ionic liquids (RTILs). Nonpolarizable Li₂EDC exhibited orders of magnitude slower dynamics below 600 K and a higher activation energy for the Li⁺ diffusion coefficient. Initial simulations of Li₂EDC dissolved in an EC:DMC(3:7)/LiPF₆ liquid electrolyte were performed at 450 K and showed a strong aggregation of Li₂EDC consistent with its phase separation from the electrolyte. The plasticizing effects of carbonate electrolyte on Li₂EDC dynamics were examined

Molecular Dynamics Simulations and Experimental Study of Lithium Ion Transport in Dilithium Ethylene Dicarbonate

Understanding the properties of the solid electrolyte interphase (SEI) of lithium batteries is important for minimizing interfacial resistance and improving battery safety and cycling. Ion transport has been investigated in the dilithium ethylene dicarbonate (Li₂EDC) component of the SEI by impedance spectroscopy and molecular dynamics (MD) simulations employing a revised many-body polarizable APPLE&P force field. The developed force field accurately described the binding energies in LiCH₃CO₃, its dimer, and Li₂EDC calculated at the G4MP2 and MP2 levels. M05-2X and LC-ωPBE functionals predicted too high binding energy in lithium alkyl carbonates compared to the G4MP2 results, while the MP2 and M06-L predictions agreed well with the G4MP2 data. The conductivity of Li₂EDC at room temperature was found to be 10^–9 S/cm from impedance measurements and extrapolation of MD simulation results. A near Arrhenius temperature dependence of Li₂EDC’s conductivity was found in the MD simulations with an activation energy ranging from 64 to 84 kJ/mol. At room temperature, the lithium transport was subdiffusive on time scales shorter than ∼10^–2 s in MD simulations corresponding to the onset of the plateau of resistivity vs frequency occurring at frequencies lower than 10² Hz. The influence of Li₂EDC ordering on the ion transport was investigated by contrasting supercooled amorphous melts and ordered material. At 393 K Li⁺ transport was heterogeneous, showing chainlike and looplike Li⁺ correlated displacements. The non-Gaussianity of Li⁺ transport was examined. The influence of polarization on the structure of the lithium coordination shell and ion transport has been investigated in the molten phase of Li₂EDC and contrasted with the previous results obtained for room-temperature ionic liquids (RTILs). Nonpolarizable Li₂EDC exhibited orders of magnitude slower dynamics below 600 K and a higher activation energy for the Li⁺ diffusion coefficient. Initial simulations of Li₂EDC dissolved in an EC:DMC(3:7)/LiPF₆ liquid electrolyte were performed at 450 K and showed a strong aggregation of Li₂EDC consistent with its phase separation from the electrolyte. The plasticizing effects of carbonate electrolyte on Li₂EDC dynamics were examined

Table_4_Pretreatment with IPA ameliorates colitis in mice: Colon transcriptome and fecal 16S amplicon profiling.xlsx

3-Indolepropionic acid (IPA) is a tryptophan metabolite that has anti-inflammatory properties. The present study try to investigate the phylactic effects of IPA on dextran sodium sulfate (DSS)-induced colitis mice. The results showed that IPA pretreatment ameliorated the DSS-induced decrease in growth performance, and intestinal damage and enhanced immunity in mice. RNA-seq analysis of mouse colon samples revealed that the differentially expressed genes (DEGs) were mainly enriched in immune-related pathways. 16S rRNA sequencing showed that IPA pretreatment ameliorated DSS-induced colonic microbiota dysbiosis. Moreover, the expression levels of gut immune genes were positively correlated with the relative abundance of several probiotics, such as Alloprevotella and Catenibacterium. In conclusion, IPA alleviates DSS-induced acute colitis in mice by regulating inflammatory cytokines, balancing the colonic microbiota and modulating the expression of genes related to inflammation, which would also provide a theoretical basis for IPA as a strategy to improve intestinal health.</p

Table_3_Pretreatment with IPA ameliorates colitis in mice: Colon transcriptome and fecal 16S amplicon profiling.xlsx

3-Indolepropionic acid (IPA) is a tryptophan metabolite that has anti-inflammatory properties. The present study try to investigate the phylactic effects of IPA on dextran sodium sulfate (DSS)-induced colitis mice. The results showed that IPA pretreatment ameliorated the DSS-induced decrease in growth performance, and intestinal damage and enhanced immunity in mice. RNA-seq analysis of mouse colon samples revealed that the differentially expressed genes (DEGs) were mainly enriched in immune-related pathways. 16S rRNA sequencing showed that IPA pretreatment ameliorated DSS-induced colonic microbiota dysbiosis. Moreover, the expression levels of gut immune genes were positively correlated with the relative abundance of several probiotics, such as Alloprevotella and Catenibacterium. In conclusion, IPA alleviates DSS-induced acute colitis in mice by regulating inflammatory cytokines, balancing the colonic microbiota and modulating the expression of genes related to inflammation, which would also provide a theoretical basis for IPA as a strategy to improve intestinal health.</p

Table_1_Pretreatment with IPA ameliorates colitis in mice: Colon transcriptome and fecal 16S amplicon profiling.xlsx

3-Indolepropionic acid (IPA) is a tryptophan metabolite that has anti-inflammatory properties. The present study try to investigate the phylactic effects of IPA on dextran sodium sulfate (DSS)-induced colitis mice. The results showed that IPA pretreatment ameliorated the DSS-induced decrease in growth performance, and intestinal damage and enhanced immunity in mice. RNA-seq analysis of mouse colon samples revealed that the differentially expressed genes (DEGs) were mainly enriched in immune-related pathways. 16S rRNA sequencing showed that IPA pretreatment ameliorated DSS-induced colonic microbiota dysbiosis. Moreover, the expression levels of gut immune genes were positively correlated with the relative abundance of several probiotics, such as Alloprevotella and Catenibacterium. In conclusion, IPA alleviates DSS-induced acute colitis in mice by regulating inflammatory cytokines, balancing the colonic microbiota and modulating the expression of genes related to inflammation, which would also provide a theoretical basis for IPA as a strategy to improve intestinal health.</p

Phosphate-solubilizing bacteria improve the phytoremediation efficiency of <i>Wedelia trilobata</i> for Cu-contaminated soil

<p>In a controlled experiment, we assessed the effect of phosphate-solubilizing bacterium (PSB) on the soil metal (Cu²⁺) phytoremediation by <i>Wedelia trilobata</i> and examined the effect of the interaction of Cu contamination and PSB on the growth of <i>W. trilobata</i>. We also explored the effect of the interaction of Cu contamination and PSB on the soil microflora. The results showed that the removal efficiency of Cu from soil by <i>W. trilobata</i> increased with an increase in the concentration of PSB, and the translocation factors of Cu (<i>i.e.</i>, leaf:root and stem:root) were both significantly upregulated by PSB. The PSB significantly promoted the growth of <i>W. trilobata</i>; however, the effect of the Cu–PSB interaction on the leaf net photosynthetic rate (Pn) of <i>W. trilobata</i> was not significant, whereas copper contamination had a significant negative influence on the soil microflora, PSB had a significant positive influence on the soil microflora. Thus, PSB improved the phytoremediation efficiency of <i>W. trilobata</i> in Cu-contaminated soil because of the positive influence on the soil microflora, improving soil quality, which then increased the growth of <i>W. trilobata</i> in Cu-contaminated soil. The vigorous growth of <i>W. trlobata</i> led to higher of Cu absorption and translocation from soil as the ultimate result.</p

sj-doc-1-jis-10.1177_01655515211061866 – Supplemental material for A comprehensive bibliometric analysis on opinion mining and sentiment analysis global research output

Supplemental material, sj-doc-1-jis-10.1177_01655515211061866 for A comprehensive bibliometric analysis on opinion mining and sentiment analysis global research output by Ibrahim Hussein Musa, Ibrahim Zamit, Kang Xu, Khaoula Boutouhami and Guilin Qi in Journal of Information Science</p