Evaluation of anatomical and physical properties of Khaya nthotheca (Welw.) C. DC. from forests of different altitudes in the democratic Republic of Congo

The anatomical and physical properties of Khaya anthotheca (Welw.) C. DC wood from the transition forest of middle altitude (zone 1) and the humid dense forest of low altitude (zone 2) in the East of the Democratic Republic of Congo were evaluated to ascertain the effect of growth area on the anatomical and physical properties. The heartwood vessels and rays number/mm2 varied significantly (P<0.001) between the two zones. The heartwood collected in zone 1 was significantly the richest (P<0.001) in vessel sand rays number. The average number of vessels and width of rays were higher in zone 2 and varied significantly (p < 0.0001) between the two zones.. Biotopes rays length was higher in zone 1 and varied significantly (p < 0.001) between the two zones. Nevertheless, the wood vessels distribution in the radial direction was homogeneous despite the zone; there was no significant difference in basic density, dry density and total volume shrinkage of K. anthotheca heartwood from the two zones..Keywords: Anatomy, vessel, rays, density, Khaya anthothec

Impact of the degradation leachate of the polyacrylonitrile-based material UP2W on the retention of Ni(II), Eu(III) and Pu(IV) by cement

The uptake of $^{63}$Ni(II), $^{152}$Eu(III) and $^{242}$Pu(IV) by hardened cement paste (HCP, CEM I) in the degradation stage II (pH ≈ 12.5, [Ca] ≈ 0.02 M) was investigated in the presence of a degradation leachate of UP2W, a polyacrylonitrile-based (PAN) material used as a filter aid in nuclear power plants. The degradation leachate with a concentration of dissolved organic carbon of ∼40 ppm was obtained from the degradation of UP2W in portlandite-buffered solutions for ca. 1100 days. Redox conditions in the Pu systems were buffered with hydroquinone, which defines mildly reducing conditions (pe + pH ≈ 10) where Pu(IV) is the predominant oxidation state. The degradation leachate investigated in this work is moderately sorbed by cement, with distribution ratios (R$_d$) of (0.35 ± 0.15) m$^3$ kg$^{−1}$. These values are 30 to 100 times greater than distribution ratios previously reported for proxy ligands of PAN degradation products, i.e., glutaric acid, α-hydroxyisobutyric acid and 3-hydroxybutyric acid. The presence of the degradation leachate induces a moderate decrease in the uptake of $^{63}$Ni(II), $^{152}$Eu(III) and $^{242}$Pu(IV) by cement, as compared to the sorption in the presence of the proxy ligands. Nevertheless, retention in the presence of the degradation leachate remains high for all investigated radionuclides, with Rd($^{63}$Ni(II)) ≈ 2 m$^3$ kg$^{−1}$, Rd($^{152}$Eu(III)) ≈ 100 m$^3$ kg$^{−1}$ and Rd($^{242}$Pu(IV)) ≈ 30 m$^3$ kg$^{−1}$. These observations possibly reflect that the multiple functionalities (–COOH, –OH, amide groups) expected in the macromolecules (10–15 kDa) present in the degradation leachate, can offer further binding/chelating capabilities compared to the small organic proxy ligands with at most bidentate binding

Solubility of Ca( ii ), Ni( ii ), Nd( iii ) and Pu( iv ) in the presence of proxy ligands for the degradation of polyacrylonitrile in cementitious systems

The solubility of Ca(OH)$_{2}$(cr), β-Ni(OH)$_{2}$(cr), Nd(OH)$_{3}$(s) and PuO$_{2}$(ncr, hyd) was investigated in cement porewater solutions containing glutarate (GTA), α-hydroxyisobutarate (HIBA) and 3-hydroxybutarate (HBA). These ligands were proposed as probable degradation products of UP2W, a polyacrylonitrile-based filter aid used in nuclear power plants. Results obtained in this work are compared with reported solubility data in the presence of iso-saccharinic acid (ISA), a polyhydroxocarboxylic acid resulting from cellulose degradation. None of the investigated proxy ligands shows any significant impact on the solubility of Ca(II), Nd(III) or Pu(IV) in cement porewater solutions. Although the formation of binary complexes M–L (M = Ca(II), Nd(III), An(IV); L = GTA, HIBA, HBA) under acidic conditions is described in the literature, these organic ligands cannot outcompete hydrolysis under hyperalkaline conditions. GTA, HIBA and HBA induce a slight increase in the solubility of β-Ni(OH)$_{2}$(cr) at [L]$_{tot}$ = 0.1 M. This observation supports the formation of stable Ni(II)–GTA, –HIBA and –HBA complexes in hyperalkaline conditions, although the exact stoichiometry of these complexes remains unknown. The comparison of these results with solubility data in the presence of ISA confirms the stronger complexation properties of the latter ligand. Even though HIBA and HBA are carboxylic acids containing one alcohol group, this comparison shows that additional alcohol groups are required to efficiently chelate the metal ion and outcompete hydrolysis. This conclusion is supported by DFT calculations on the Pu(IV)-OH–L systems (L = GTA, HIBA and HBA), which indicate that the complexation with the proxy ligands takes places through the carboxylate group. XRD of selected solid phases after equilibration with proxy ligands at [L]$_{tot}$ = 0.1 M confirms that Ca(II), Ni(II), Nd(III) and Pu(IV) starting solid materials remained mostly unaltered in the course of the experiments. However, the presence of new XRD features suggests the possible formation of secondary phases. These results allow assessment of the effect of the proposed proxy ligands on the solubility of key radionuclides and metal ions in cementitious systems relevant for low and intermediate level waste, and feed into on-going sorption studies evaluating the impact of UP2W degradation products on the uptake of radionuclides by cement

Performance of ab initio and density functional methods for conformational equilibria of CnH2n+2 alkane isomers (n=2-8)

Conformational energies of n-butane, n-pentane, and n-hexane have been calculated at the CCSD(T) level and at or near the basis set limit. Post-CCSD(T) contribution were considered and found to be unimportant. The data thus obtained were used to assess the performance of a variety of density functional methods. Double-hybrid functionals like B2GP-PLYP and B2K-PLYP, especially with a small Grimme-type empirical dispersion correction, are capable of rendering conformational energies of CCSD(T) quality. These were then used as a `secondary standard' for a larger sample of alkanes, including isopentane and the branched hexanes as well as key isomers of heptane and octane. Popular DFT functionals like B3LYP, B3PW91, BLYP, PBE, and PBE0 tend to overestimate conformer energies without dispersion correction, while the M06 family severely underestimates GG interaction energies. Grimme-type dispersion corrections for these overcorrect and lead to qualitatively wrong conformer orderings. All of these functionals also exhibit deficiencies in the conformer geometries, particularly the backbone torsion angles. The PW6B95 and, to a lesser extent, BMK functionals are relatively free of these deficiencies. Performance of these methods is further investigated to derive conformer ensemble corrections to the enthalpy function, $H_{298}-H_0$, and the Gibbs energy function, ${\rm gef}(T)\equiv - [G(T)-H_0]/T$, of these alkanes. While $H_{298}-H_0$ is only moderately sensitive to the level of theory, ${\rm gef}(T)$ exhibits more pronounced sensitivity. Once again, double hybrids acquit themselves very well.Comment: J. Phys. Chem. A, revised [Walter Thiel festschrift

Vector Bosons in the Randall-Sundrum 2 and Lykken-Randall models and unparticles

Unparticle behavior is shown to be realized in the Randall-Sundrum 2 (RS 2) and the Lykken-Randall (LR) brane scenarios when brane-localized Standard Model currents are coupled to a massive vector field living in the five-dimensional warped background of the RS 2 model. By the AdS/CFT dictionary these backgrounds exhibit certain properties of the unparticle CFT at large N_c and strong 't Hooft coupling. Within the RS 2 model we also examine and contrast in detail the scalar and vector position-space correlators at intermediate and large distances. Unitarity of brane-to-brane scattering amplitudes is seen to imply a necessary and sufficient condition on the positivity of the bulk mass, which leads to the well-known unitarity bound on vector operators in a CFT.Comment: 60 pages, 8 figure

Two-Loop Diagrammatics in a Self-Dual Background

Diagrammatic rules are developed for simplifying two-loop QED diagrams with propagators in a constant self-dual background field. This diagrammatic analysis, using dimensional regularization, is used to explain how the fully renormalized two-loop Euler-Heisenberg effective Lagrangian for QED in a self-dual background field is naturally expressed in terms of one-loop diagrams. The connection between the two-loop and one-loop vacuum diagrams in a background field parallels a corresponding connection for free vacuum diagrams, without a background field, which can be derived by simple algebraic manipulations. It also mirrors similar behavior recently found for two-loop amplitudes in N=4 SUSY Yang-Mills theory.Comment: 16 pp, Latex, Axodra

Polyenylpyrrole Derivatives Inhibit NLRP3 Inflammasome Activation and Inflammatory Mediator Expression by Reducing Reactive Oxygen Species Production and Mitogen-Activated Protein Kinase Activation

10.1371/journal.pone.0076754PLoS ONE810-POLN