First-Principles Study of the Oxygenation of Carbon Nanotubes and Boron Nitride Nanotubes

Using the first-principles method, we investigated the molecular and electronic structures of oxygenized carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs). This is done by considering (5,5) and (10,0) tubes, which have similar diameters. The reaction of CNTs with oxygen molecules is largely exothermic, particularly for (5,5) CNT. When the oxygen content is ∼5% in a (5,5) tube, oxygen atoms tend to form a contiguous row of ether along the tube axis, which can be understood in terms of a zipping mechanism. In (10,0) CNT, oxygen atoms tend to be uniformly distributed in pairs of ether on two opposite sides of the tube up to 10% oxygen content. Upon acid treatment of BNNTs, our data indicate that the oxygenation could occur in a chirality-specific way. Specifically, (5,5) BNNT is expected to favor the insertion of two oxygen atoms in the tube rather than the evaporation of an oxygen molecule, whereas (10,0) BNNT is not expected to do so

Histological observation of a gelatin sponge transplant loaded with bone marrow-derived mesenchymal stem cells combined with platelet-rich plasma in repairing an annulus defect - Fig 2

<p>The exposure of annulus fibrosus after decompression of the lamina, (A) sham group, arrow showing annulus fibrosus. (B)injury group,arrow showing a 1 × 1 cm defect of annulus fibrosus. (C)therapeutic group,arrow showing complexes including BMSCs, PRP,and Gelatin sponges.</p

Uranyl Affinity between Uranyl Cation and Different Kinds of Monovalent Anions: Density Functional Theory and Quantitative Structure–Property Relationship Model

In order to design effective extractants for uranium extraction from seawater, it is imperative to acquire a more comprehensive understanding of the bonding properties between the uranyl cation (UO22+) and various ligands. Therefore, we employed density functional theory to investigate the complexation reactions of UO22+ with 29 different monovalent anions (L–1), exploring both mono- and bidentate coordination. We proposed a novel concept called “uranyl affinity” (Eua) to facilitate the establishment of a standardized scale for assessing the ease or difficulty of coordination bond formation between UO22+ and diverse ligands. Furthermore, we conducted an in-depth investigation into the underlying mechanisms involved. During the process of uranyl complex [(UO2L)+] formation, lone pair electrons from the coordinating atom in L– are transferred to either the lowest unoccupied molecular degenerate orbitals 1ϕu or 1δu of the uranyl ion, which originate from the uranium atom’s 5f unoccupied orbitals. In light of discussion concerning the mechanisms of coordination bond formation, quantitative structure–property relationship analyses were conducted to investigate the correlation between Eua and various structural descriptors associated with the 29 ligands under investigation. This analysis revealed distinct patterns in Eua values while identifying key influencing factors among the different ligands

Masson staining in each group after 3,6,12 weeks.

<p>(A-C) Masson staining in the sharm group after 3,6,12 weeks (×100). (D-F) Masson staining in the injury group after 3,6,12 weeks (×100). (G-I) Masson staining in the therapeutic group after 3,6,12 weeks (×100). Blue arrows:mature bone trabecular.Black arrows:muscle fiber connective tissue.</p

Results of HE staining in each group after 3,6,12 weeks.

<p>(A-C) HE staining in the sharm group after 3,6,12 weeks (×100). (D-F) HE staining in the injury group after 3,6,12 weeks (×100). (G-I) HE staining in the therapeutic groupafter 3,6,12 weeks (×100).Blue arrows:collagen and matrix.Black arrows:cartilage cells.</p

The results of type II collagen staining in each group after 3,6,12 weeks.

(A-C) Type II collagen staining in the sharm group after 3,6,12 weeks (×100). (D-F) Type II collagen staining in the injury group after 3,6,12 weeks (×100). (G-I) Type II collagen staining in the therapeutic groupafter 3,6,12 weeks (×100). Black arrows: type II collagen.</p

The morphological characteristics and identification of third-generation BMSCs.

(A) Third-generation BMSCs (×100). (B) Third-generation BMSCs that were CD44-positive (×100). (C) Third-generation BMSCs that were CD29-positive (×100). (D) Third-generation BMSCs that were CD44-negative (×100).</p

Quantitative analysis of type II collagen staining for each group (x ± s, n = 90).

<p>Quantitative analysis of type II collagen staining for each group (x ± s, n = 90).</p

AB-PAS staining in each group after 3,6,12 weeks.

<p>(A-C) AB-PAS staining in the sharm group after 3,6,12 weeks (×100). (D-F) AB-PAS staining in the injury group after 3,6,12 weeks (×100). (G-I) AB-PAS staining in the therapeutic groupafter 3,6,12 weeks (×100). Black arrows:cartilage cells.</p

A Series of New Ternary and Quaternary Compounds in the Li^I−Ga^III−Te^IV−O System

Systematic explorations of new compounds in the LiI−GaIII−TeIV−O system led to two new isomeric ternary gallium tellurites, namely, α-Ga2(TeO3)3 and β-Ga2(TeO3)3, and two new quaternary lithium gallium tellurites, namely, HLi2Ga3(TeO3)6(H2O)6 and Li9Ga13Te21O66. α-Ga2(TeO3)3 is a noncentrosymmetric structure (I4̅3d) and displays a moderately strong second-harmonic-generation response that is comparable with that of KDP (KH2PO4). Its structure features a condensed three-dimensional (3D) network alternatively connected by GaO4 tetrahedra and TeO3 trigonal pyramids via corner sharing. β-Ga2(TeO3)3 is centrosymmetric (P63/m) and features a 3D open framework composed of Ga2O9 dimers bridged by TeO3 groups with one-dimensional (1D) 12-MR channels along the c axis. Although both HLi2Ga3(TeO3)6(H2O)6 and Li9Ga13Te21O66 crystallized in the same space group R3̅, they belong to different structure types. The structure of HLi2Ga3(TeO3)6(H2O)6 can be viewed as the 1D tunnels of the 3D gallium tellurite being occupied by Li+ and H+ ions whereas the structure of Li9Ga13Te21O66 is a complicated 3D framework composed of alternating gallium tellurite layers and GaO6 octahedral layers with Li+ cations being located at the cavities of the structure. Optical diffuse-reflectance spectrum measurements indicate that all four compounds are insulators and transparent in the range of 300−2500 nm