Regio- and Stereoselective Iodoamination of Ferrocene-Containing Allenylphosphonates: Synthesis of Multifunctional Tetrasubstituted Allylic Amines and Allylic Azides

A general and practical methodology for the regio- and stereoselective synthesis of multifunctional tetrasubstituted allylic amines and azides based on iodoamination of ferrocene-containing allenylphosphonates with anilines and sodium azide is described. A tetrasubstituted olefin moiety, as well as an iodine atom, a phosphonate, and a ferrocene group, are installed to the allylic amine motif simultaneously in moderate to good yields

Structure, Phase Transition, and Controllable Thermal Expansion Behaviors of Sc_2–<i>x</i>Fe_<i>x</i>Mo₃O₁₂

The crystal structures, phase transition, and thermal expansion behaviors of solid solutions of Sc_2–<i>x</i>Fe_<i>x</i>Mo₃O₁₂ (0 ≤ <i>x</i> ≤ 2) have been examined using X-ray diffraction (XRD), neutron powder diffraction (NPD), and differential scanning calorimetry (DSC). At room temperature, samples crystallize in a single orthorhombic structure for the compositions of <i>x</i> < 0.6 and monoclinic for <i>x</i> ≥ 0.6, respectively. DSC results indicate that the phase transition temperature from monoclinic to orthorhombic structure is enhanced by increasing the Fe³⁺ content. High-temperature XRD and NPD results show that Sc_1.3Fe_0.7Mo₃O₁₂ exhibits near zero thermal expansion, and the volumetric coefficients of thermal expansion derived from XRD and NPD are 0.28 × 10^–6 °C^–1 (250–800 °C) and 0.65 × 10^–6 °C^–1 (227–427 °C), respectively. NPD results of Sc₂Mo₃O₁₂ (<i>x</i> = 0) and Sc_1.3Fe_0.7Mo₃O₁₂ (<i>x</i> = 0.7) indicate that Fe substitution for Sc induces reduction of the mean Sc­(Fe)–Mo nonbond distance and the different thermal variations of Sc­(Fe)–O5–Mo2 and Sc­(Fe)–O3–Mo2 bond angles. The correlation between the displacements of oxygen atoms and the variation of unit cell parameters was investigated in detail for Sc₂Mo₃O₁₂

DataSheet_1_Ankylosing spondylitis: acute/subacute vs. chronic iridocyclitis - a bidirectional two-sample Mendelian randomization study.docx

BackgroundObservational studies found associations between ankylosing spondylitis (AS) and iridocyclitis (IC), but the causality remained unconfirmed.MethodsWe employed two-sample Mendelian randomization (MR) to investigate the bidirectional causal relationships between AS and IC. Single-nucleotide polymorphisms (SNPs) were chosen from the FinnGen database’s genome-wide association studies (GWAS) following a rigorous evaluation of the studies’ quality. Sensitivity analysis was performed to assess the potential influence of pleiotropy and heterogeneity on the MR findings.ResultsElevated genetic risk for AS showed positive causal effects on IC and its subtypes (IC, OR = 1.094, 95% CI = 1.035-1.157, P = 0.00156; Acute/Subacute IC, OR = 1.327, 95% CI = 1.266-1.392, P = 8.73×10-32; Chronic IC, OR = 1.454, 95% CI = 1.308-1.618, P = 5.19×10-12). Significant causal association was specifically observed between Acute/Subacute IC and AS (OR = 1.944, 95% CI = 1.316-2.873, P = 8.38×10-4). Sensitivity analysis suggested that horizontal pleiotropy was unlikely to influence the causality, and the leave-one-out analysis confirmed that a single SNP did not drive the observed associations.ConclusionOur findings provide new proof of a positive causal relationship between AS and IC in the European population. Notably, it is Acute/Subacute IC, rather than IC as a whole or Chronic IC, that is associated with an elevated risk of AS. These results emphasize the significance of considering AS characteristics in the diagnosis of Acute/Subacute IC.</p

On the Structure of α‑BiFeO₃

Polycrystalline and monocrystalline α-BiFeO₃ crystals have been synthesized by solid state reaction and flux growth method, respectively. X-ray, neutron, and electron diffraction techniques are used to study the crystallographic and magnetic structure of α-BiFeO_3. The present data show that α-BiFeO₃ crystallizes in space group <i>P</i>1 with <i>a</i> = 0.563 17(1) nm, <i>b</i> = 0.563 84(1) nm, <i>c</i> = 0.563 70(1) nm, α = 59.33(1)°, β = 59.35(1)°, γ = 59.38(1)°, and the magnetic structure of α-BiFeO₃ can be described by space group <i>P</i>1 with magnetic modulation vector in reciprocal space <b>q</b> = 0.0045<b>a</b>* – 0.0045<b>b</b>*, which is the magnetic structure model proposed by I. Sosnowska applied to the new <i>P</i>1 crystal symmetry of α-BiFeO₃

On the Structure of α‑BiFeO₃

Polycrystalline and monocrystalline α-BiFeO₃ crystals have been synthesized by solid state reaction and flux growth method, respectively. X-ray, neutron, and electron diffraction techniques are used to study the crystallographic and magnetic structure of α-BiFeO_3. The present data show that α-BiFeO₃ crystallizes in space group <i>P</i>1 with <i>a</i> = 0.563 17(1) nm, <i>b</i> = 0.563 84(1) nm, <i>c</i> = 0.563 70(1) nm, α = 59.33(1)°, β = 59.35(1)°, γ = 59.38(1)°, and the magnetic structure of α-BiFeO₃ can be described by space group <i>P</i>1 with magnetic modulation vector in reciprocal space <b>q</b> = 0.0045<b>a</b>* – 0.0045<b>b</b>*, which is the magnetic structure model proposed by I. Sosnowska applied to the new <i>P</i>1 crystal symmetry of α-BiFeO₃

Enhancement of Ferroelectricity for Orthorhombic (Tb_0.861Mn_0.121)MnO_3−δ by Copper Doping

Copper-doped (Tb_0.861Mn_0.121)­MnO_3−δ has been synthesized by the conventional solid state reaction method. X-ray, neutron, and electron diffraction data indicate that they crystallize in <i>Pnma</i> space group at room temperature. Two magnetic orderings are found for this series by neutron diffraction. One is the ICAM (incommensurate canted antiferromagnetic) ordering of Mn with a wave vector <i>q</i>_Mn = (∼0.283, 0, 0) with <i>a</i> ≈ 5.73 Å, <i>b</i> ≈ 5.31 Å, and <i>c</i> ≈ 7.41 Å, and the other is the CAM (canted antiferromagnetic) ordering of both Tb and Mn in the magnetic space group <i>Pn</i>′<i>a2</i>₁′ with <i>a</i> ≈ 5.73 Å, <i>b</i> ≈ 5.31 Å, and <i>c</i> ≈ 7.41 Å. A dielectric peak around 40 K is found for the samples doped with Cu, which is higher than that for orthorhombic TbMnO₃