Comparative study of honeycomb optimization using Kriging and radial basis function

Structural optimization for crashworthiness criteria is of particular significance especially at early stage of design. The comparative study of Kriging and radial basis function network (RBFN) was performed in order to improve the crashworthiness effects of honeycomb. Improving the crashworthiness characteristic of honeycomb was achieved using LS-OPT® and domain reduction strategy. This optimization is performed on the basis of validated numerical simulation to establish the approximated model to illustrate the relationship between the responses and design variables. The results showed that Kriging meta-model is excelled in accuracy, robustness and efficiency compared to radial basis function (RBF) and crashworthiness characteristic of honeycomb is improved by 4%.     

Measurements of turbulent mixing due to Kelvin–Helmholtz instability in high-energy-density plasmas

Kelvin–Helmholtz (KH) turbulent mixing measurements were performed in experiments on the OMEGA Laser Facility [T.R. Boehly et al., Opt. Commun. 133 (1997) 495]. In these experiments, laser-driven shock waves propagated through low-density plastic foam placed on top of a higher-density plastic foil. Behind the shock front, lower-density foam plasma flowed over the higher-density plastic plasma. The interface between the foam and plastic was KH unstable. The experiments were performed with pre-imposed, sinusoidal 2D perturbations, and broadband 3D perturbations due to surface roughness at the interface between the plastic and foam. KH instability growth was measured using X-ray, point-projection radiography. The mixing layer caused by the KH instability with layer width up to ～100 μm was observed at a location ～1 mm behind the shock front. The measured mixing layer width was in good agreement with simulations using a K–L turbulent mixing model in the two-dimensional ARES hydrodynamics code. In the definition of the K–L model K stands for the specific turbulent kinetic (K) energy, and L for the scale length (L) of the turbulence.     

Alkynylgold(I) C3-Chiral Concave Complexes: Aggregation and Luminescence

Chiral gold(I) acetylide trinuclear complexes 1 – 3 based on the cyclotribenzylene platform and terminal PR₃ ligands (R=Ph, Et, and Cy, respectively), were characterized and their light emission studied. They exhibited long-lived blue phosphorescence in CHCl₃ and a weak fluorescence in the UV. In MeOH/CHCl₃ mixtures of >1:1 volume ratio, 1 and 2 exhibited a new emission band at ca. 540 nm that developed at the expense of the UV emission. DLS studies demonstrated the presence of molecular aggregates of Ø 30–80 nm. The green emission observed in MeOH-rich solvent mixtures was therefore induced by aggregation, and could originate from Au⋅⋅⋅Au interactions. The AIE spectrum of 3 was observed only in solutions containing 99 % of MeOH, and correlated with its solid state emission. The AIE profiles of the enantiomers of 1 differed from that of rac- 1 , suggesting that the latter is a true racemate.     

Synthesis and Properties of Partially Saturated Fluorenyl-Derived [n]Helicenes Featuring an Overcrowded Alkene

The straightforward, multigram-scale synthesis of the partially saturated H₆-fluoreno[n]helicenes (n=5 or 7) featuring a central, overcrowded alkene is described. The key cyclization step was based on an intramolecular McMurry reaction from the corresponding 1,5-diketones. Chiral stationary phase HPLC analysis and isomer separation indicate that each helicenic compound is constituted of three diastereoisomers at room temperature, i. e. the configurationally stable (R,R,P)/(S,S,M) pair of enantiomers and an apparently achiral compound resulting from the rapid interconversion between the (R,S,P) and (S,R,M) enantiomers. The partially saturated H₆-fluoreno[n]helicenes are oxidatively aromatized to give an efficient access to the corresponding fluoreno[n]helicenes. The chiroptical properties (vibrational and electronic circular dichroism) of the chiral, enantiopure compounds have been measured and analyzed by quantum-chemical calculations, confirming their helicoidal nature.     

Modified [(IPr)Pd(R‐acac)Cl] Complexes: Influence of the acac Substitution on the Catalytic Activity in Aryl Amination

The synthesis of a series of [(IPr)Pd(R‐acac)Cl] precatalysts (acac=acetylacetonato; IPr=1,3‐bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene), where the acac ligand on palladium has been systematically modified through terminal substitution, is reported. The following substituted acac ligands are employed in this study: dibenzoylmethanato (dbm), benzoylacetonato (bac), tetramethylheptanedionato (tmhd), and hexafluoroacetylacetonato (hfac). Full spectroscopic characterization of the new complexes is provided along with X‐ray studies for three of these. Investigation of their catalytic activity in cross‐coupling is also presented through a comparative study in an aryl amination reaction. The catalytic results show a strong correlation between the increased steric bulk of the acac substituents and an increased activation rate of the precatalyst, going from the acac to the tmhd ligand. This observation, along with the inertness of the hfac compound, seems to support our previous proposal for the activation mechanism of these complexes under cross‐coupling conditions.     

Synthesis and Antimalarial Activities of New Hybrid Atokel Molecules

The currently spreading resistance of the malaria parasite Plasmodium falciparum to artemisinin-based combination therapies makes an urgent need for new efficient drugs. Aiming to kill artemisinin-resistant Plasmodium, a series of novel hybrid drugs named Atokels were synthesized and characterized. Atokels are based on an 8-amino- or 8-hydroxyquinoline entity covalently bound to a 1,4-naphthoquinone through a polyamine linker. These drugs have been designed to target the parasite mitochondrion by their naphthoquinone moiety reminiscent of the antimalarial drug atovaquone, and to trigger a damaging oxidative stress due to their ability to chelate metal ions in order to generate redox active complexes in situ. The most effective Atokel drug shown a promising antimalarial activity (IC₅₀=622 nm on an artemisinin-resistant P. falciparum strain) and no cytotoxicity at 50 μm indicating a specific antiplasmodial mode of action.