Extension/Compression-Controlled Complete Band Gaps in 2D Chiral Square-Lattice-Like Structures

Achieving tunable band gaps in a structure by external stimuli is of great importance in acoustic applications. This paper aims to investigate the tunability of band gaps in square-lattice-like elastic periodic structures that are usually not featured with notable band gaps.Endowed with chirality, the periodic structures here are able to undergo imperfection-insensitive large deformation under extension or compression. The influences of geometric parameters on band gaps are discussed via the nonlinear finite element method. It is shown that the band gaps in such structures with curved beams can be very rich and, more importantly, can be efficiently and robustly tuned by applying appropriate mechanical loadings without inducing buckling. As expected, geometry plays a more significant role than material nonlinearity does in the evolution of band gaps. The dynamic tunability of band gaps through mechanical loading is further studied. Results show that closing, opening, and shifting of band gaps can be realized by exerting real-time global extension or compression on the structure. The proposed periodic structure with well-designed chiral symmetry can be useful in the design of particular acoustic devices.     

Synthesis and Crystal Structure of New Indium Iodate (K<Subscript>0.6</Subscript>Na<Subscript>0.4</Subscript>Ba)In[IO<Subscript>3</Subscript>]<Subscript>6</Subscript>

Crystals of new indium iodate (K_0.6Na_0.4Ba)In[IO₃]₆ were prepared by the hydrothermal synthesis. The unit-cell parameters are a = 11.3984(3) Å, с = 11.3817(3) Å, sp. gr. R3?. The chemical formula of the compound was derived from the structure determination and refinement with anisotropic displacement parameters to R = 0.0284. In the structure the InO₆ octahedra share vertices with six umbrella-like [IO₃]–groups typical of iodates and form isolated 3?-symmetric charged \(\rm{In[IO_{3}]_6^{3-}}\) clusters. Large Ba, K, and Na cations occupy a common site on a threefold axis due to the isomorphous substitution and compensate the charge of the clusters. The new structure extends the family of the recently discovered alkali-metal and barium iodates containing Ti and Zr atoms in octahedral sites. The iodate K₂Ge[IO₃]₆ containing Ge atoms in the centers of octahedra is the parent compound of this structural family.     

Freeze–Thaw-Promoted Fabrication of Clean and Hierarchically Structured Noble-Metal Aerogels for Electrocatalysis and Photoelectrocatalysis

Noble-metal aerogels (NMAs) have drawn increasing attention because of their self-supported conductive networks, high surface areas, and numerous optically/catalytically active sites, enabling their impressive performance in diverse fields. However, the fabrication methods suffer from tedious procedures, long preparation times, unavoidable impurities, and uncontrolled multiscale structures, discouraging their developments. By utilizing the self-healing properties of noble-metal aggregates, the freezing-promoted salting-out behavior, and the ice-templating effect, a freeze–thaw method is crafted that is capable of preparing various hierarchically structured noble-metal gels within one day without extra additives. In light of their cleanliness, the multi-scale structures, and combined catalytic/optical properties, the electrocatalytic and photoelectrocatalytic performance of NMAs are demonstrated, which surpasses that of commercial noble-metal catalysts.     

X-ray diffraction study of mesogenic 4-methoxyphenyl-4′-n-nonyloxybenzoate

4-methoxyphenyl-4′-n-nonyloxybenzoate have been investigated by single crystal X-ray structural analysis. Crystal packing of the compounds does not represent a precursor of the mesophse although the typical for liquid crystal compounds separation of crystal packing on aromatic and aliphatic areas is observed here. Possible reason for monotropic properties are discussed.     

Anisotropic Elastic-Viscoplastic Properties at Finite Strains of Injection-Moulded Low-Density Polyethylene

Injection-moulding is one of the most common manufacturing processes used for polymers. In many applications, the mechanical properties of the product is of great importance. Injection-moulding of thin-walled polymer products tends to leave the polymer structure in a state where the mechanical properties are anisotropic, due to alignment of polymer chains along the melt flow direction. The anisotropic elastic-viscoplastic properties of low-density polyethylene, that has undergone an injection-moulding process, are therefore examined in the present work. Test specimens were punched out from injection-moulded plates and tested in uniaxial tension. Three in-plane material directions were investigated. Because of the small thickness of the plates, only the in-plane properties could be determined. Tensile tests with both monotonic and cyclic loading were performed, and the local strains on the surface of the test specimens were measured using image analysis. True stress vs. true strain diagrams were constructed, and the material response was evaluated using an elastic-viscoplasticity law. The components of the anisotropic compliance matrix were determined together with the direction-specific plastic hardening parameters.     

Rational Development of Remote C−H Functionalization of Biphenyl: Experimental and Computational Studies

A simple and efficient nitrile-directed meta-C−H olefination, acetoxylation, and iodination of biaryl compounds is reported. Compared to the previous approach of installing a complex U-shaped template to achieve a molecular U-turn and assemble the large-sized cyclophane transition state for the remote C−H activation, a synthetically useful phenyl nitrile functional group could also direct remote meta-C−H activation. This reaction provides a useful method for the modification of biaryl compounds because the nitrile group can be readily converted to amines, acids, amides, or other heterocycles. Notably, the remote meta-selectivity of biphenylnitriles could not be expected from previous results with a macrocyclophane nitrile template. DFT computational studies show that a ligand-containing Pd–Ag heterodimeric transition state (TS) favors the desired remote meta-selectivity. Control experiments demonstrate the directing effect of the nitrile group and exclude the possibility of non-directed meta-C−H activation. Substituted 2-pyridone ligands were found to be key in assisting the cleavage of the meta-C−H bond in the concerted metalation–deprotonation (CMD) process.     

Synthesis of lupeol derivatives and their antileishmanial and antitrypanosomal activities

The natural product lupeol 1 was isolated from aerial parts of Vernonia scorpioides with satisfactory yield, which made it viable to be used as starting material in semisynthetic approach. Ten lupeol derivatives 2–11 were prepared by classical procedures. Including, five new esters derivatives 7–11, which were obtained by structural modifications in the isopropylidene fragment. All semisynthetic compounds and lupeol 1–11 were confirmed by ¹H NMR, ¹³C NMR and HRMS. Their antiprotozoal activity was evaluated in vitro against L. amazonensis and T. cruzi. Derivative 6 showed the best antitrypanosomal activity (IC₅₀ = 12.48 μg/mL) and the lowest cytotoxic derivative (CC₅₀ = 161.50 μg/mL). The mechanism of action of the most active derivatives (4, 6 and 11) is not dependent from the enzyme trypanothione reductase.