Circular ring shaped ultra-wideband metamaterial absorber with polarization insensitivity for energy harvesting

<span>A circular ring-shaped metamaterial (CRM) absorber was designed to harvest radio frequency (RF) energy in the ultra-wideband (UWB) frequency band applications. The proposed metamaterial unit cell features a circular shaped structure, with rectangular strip lines connected in the form of a cross leaving a square shaped slot at center. The unit cell dimensions are 15×15×1.6 mm. The absorber was etched on a low cost FR4 substrate having a dielectric constant of 4.4. Ansys high frequency structure simulator (HFSS) software was used for simulation and the analysis were carried out for unit cell, 2×2, 3×3, and 4×4 array structures. The absorber parameters plotted are absorption characteristics and reflection characteristics. Also, the metamaterial parameters (μeff) and (εeff) are also retrieved from the absorber parameters and analyzed. From the analysis, the values (μeff) and (εeff) were found to be negative, leaving refractive index also negative (n&lt;0), which proved the metamaterial property. The proposed CRM absorber showed good absorption characteristics of more than 80% and also metamaterial property in the entire UWB band (4-13 GHz). Hence the absorber proves to be a good candidate in powering low power sensors/microcontrollers for internet of things (IoT) applications.</span>

Impact of Impurities on Crystallization and Product Quality: A Case Study with Paracetamol

A thorough, systematic study into the effect that structurally related impurities have on both the process and product quality during the crystallization of an active pharmaceutical ingredient is presented. The presence of acetanilide and metacetamol influences the crystallization and product quality of paracetamol. Where high concentrations of either impurity were present in the crystallization feed, product recovery decreased by up to 15%. Acetanilide is included in the final product through adsorption onto the particle surface in concentrations up to 0.79 mol%, which can be reduced to acceptable levels through product reslurrying. The presence of metacetamol results in much higher concentrations—up to 6.78 mol% in the final product, of which approximately 1 mol% is incorporated into the crystal lattice, resulting in the perturbation of the unit-cell dimensions. The incidental crystallization and subsequent isolation of metastable Form II paracetamol increased product purity in the presence of a low metacetamol concentration. This metastable product converts to stable paracetamol Form I through reslurrying, offering an efficient metacetamol impurity rejection route. The morphology of the product is modified consistently by both impurities. An elongation of the normal prismatic shape is observed, which in the extreme case of high metacetamol contamination results in the isolation of fine, fragile needles. This problematic morphology is also improved by a reslurrying of the crystallization product to give a more equilateral shape. This systematic study of the influence of acetanilide and metacetamol on the crystallization of paracetamol builds a well-rounded picture of the concomitant impact of impurities on the principal quality attributes of a crystallization product.

Self-assembly of a strapped linear porphyrin oligomer on HOPG

Polymeric structures based on porphyrin units exhibit a range of complex properties, such as nanoscale charge transport and quantum interference effects, and have the potential to act as biomimetic materials for light-harvesting and catalysis. These functionalities are based upon the characteristics of the porphyrin monomers, but are also emergent properties of the extended polymer system. Incorporation of these properties within solid-state devices requires transfer of the polymers to a supporting substrate, and may require a high-degree of lateral order. Here we show that highly ordered self-assembled structures can be formed via a simple solution deposition protocol; for a strapped linear porphyrin oligomer adsorbed on a highly oriented pyrolytic graphite (HOPG) substrate. Two distinct molecule–molecule interactions are observed to drive the formation of two molecular phases (‘Interdigitated’ and ‘Bridge-stabilised’) characterised by scanning tunnelling microscopy, providing information on the unit cell dimensions and self-assembled structure. The concentration dependence of these phases is investigated, and we conclude that the bridge-stabilised phase is a thermodynamically stable structure at room temperature.

Liquids and Solids

Liquids and Solids introduce basic physical properties of liquids and solids. An overview of the liquid state is presented, with reference to polar covalent bonds and dipole moment. The effects of temperature on the vapour pressure of a liquid are described, including the Clausius-Clapeyron equation, which can be used to calculate the vapour pressure of a liquid at various temperatures. The chapter reviews the types of solids including their chemical structures and properties. The crystal lattice system and the unit cell relationships for the seven types of crystal lattice structures and the four substructures are examined. Guidelines for determining the number of atoms in a unit cell, including calculations involving unit cell dimensions, are explained. The ionic crystal structure, radius ratio rule for the ionic compounds and determination of crystal structure by X-ray diffraction and Bragg’s equation are covered.

Potassic-Hastingsite from the Kedrovy District (East Siberia, Russia): Petrographic Description, Crystal Chemistry, Spectroscopy, and Thermal Behavior

In this work we report on a petrographic, crystal-chemical, and optical characterization, obtained from different analytical methods, of amphibole species. Potassic-hastingsite, ideally AKBCa2C(Fe2+4Fe3+)T(Si6Al2)O22W(OH)2, has been found in the Kedrovy district (East Siberia, Russia). The sample occurs as well-formed and large radially radiant aggregates of dark green, almost black crystals. The unit cell dimensions are a = 9.9724(3) Å, b = 18.2968(4) Å, c = 5.3573(1) Å, β = 104.945(3)°, V = 944.44(4) Å3, Z = 2. Site populations were determined by combining single-crystal structure refinement and electron probe microanalysis, and Fe3+/Fe2+ ratio was obtained from X-ray fluorescence analysis. Infrared, diffuse light UV/Vis/NIR absorption, and electron spin resonance spectra are presented and discussed. A thermoelastic behavior of a powder of potassic-hastingsite was studied by in situ high-temperature X-ray diffraction. A thermal expansion and subsequent significant contraction in the unit cell volume during a high-temperature X-ray powder diffraction experiment is observed as a consequence of the deprotonation process, which is locally balanced via oxidation of Fe2+. According to the data obtained for potassic-hastingsite, these processes occur within 400–600 °C. The thermal expansion of the mineral is anisotropic; the thermal expansivity coefficients αa: αb: αc (×10−6) = −18.06 : 9.59 : −1.09 at 400 °C, −26.15 : −1.52 : 2.22 at 600 °C and 23.77 : −25.06 : 42.08 at 750 °C.

Bi8Te3, the 11-Atom Layer Member of the Tetradymite Homologous Series

Bi8Te3 is a member of the tetradymite homologous series, previously shown to be compositionally and structurally distinct from hedleyite, Bi7Te3, yet inadequately characterized structurally. The phase is identified in a sample from the Hedley district, British Columbia, Canada. Compositions are documented by electron probe microanalysis and structures are directly imaged using high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM). Results confirm that Bi8Te3 has an 11-atom layer structure, in which three Bi-Bi pairs are placed adjacent to the five-atom sequence (Te-Bi-Te-Bi-Te). Bi8Te3 has trigonal symmetry (space group R3¯m) with unit cell dimensions of a = ~4.4 Å and c = ~63 Å calculated from measurements on representative electron diffraction patterns. The model is assessed by STEM simulations and EDS mapping, all displaying good agreement with the HAADF STEM imaging. Lattice-scale intergrowths are documented in phases replacing Bi8Te3, accounting for the rarity of this phase in nature. These results support prior predictions of crystal structures in the tetradymite homologous series from theoretical modeling and indicate that other phases are likely to exist for future discovery. Tetradymite homologues are mixed-layer compounds derived as one-dimensional superstructures of a basic rhombohedral sub-cell. Each member of the series has a discrete stoichiometric composition and unique crystal structure.

Synthesis, Crystal Structure, Hirshfeld Surface, Energy Framework and Molecular Docking of 2-(((6-Methoxy pyridin-3-yl)imino)methyl)Phenol

The structure of 2-(((6-methoxypyridin-3-yl)imino)methyl)phenol (MPIMP) (C13H12N2O2) has been determined by X-ray diffraction methods. It crystallizes in the tetragonal crystal system with space group P42/n and unit cell dimensions a = 14.2958(3) Å, b = 14.2958(3) Å, c = 11.0179(3) Å, V = 2251.73(12) Å3, Z = 8. The structure has been refined by full-matrix least square procedure to a final R-value of 0.0518(wR2= 0.1312) for 1709 observed reflections. The molecules linked via two intermolecular (C-H...N and C-H...O) hydrogen bonds. The crystal structure was further stabilized by a strong intramolecular N-H...O hydrogen bond. The Hirshfeld surface analysis reveals the interaction contacts of the molecule and the strength of molecular packing in the crystal. The energy framework has been performed through different intermolecular interaction energies for structural stability. The molecular docking of MPIMP was performed against tuberculosis enzyme Decaprenyl-phosphoryl-b-Dribose 20-epimerase (DprE1, PDB code: 4KW5) to reconnoiter the binding interactions at the active sites.

Patterns in Nature—S-Layer Lattices of Bacterial and Archaeal Cells

Bacterial surface layers (S-layers) have been observed as the outermost cell envelope component in a wide range of bacteria and most archaea. S-layers are monomolecular lattices composed of a single protein or glycoprotein species and have either oblique, square or hexagonal lattice symmetry with unit cell dimensions ranging from 3 to 30 nm. They are generally 5 to 10 nm thick (up to 70 nm in archaea) and represent highly porous protein lattices (30–70% porosity) with pores of uniform size and morphology in the range of 2 to 8 nm. Since S-layers can be considered as one of the simplest protein lattices found in nature and the constituent units are probably the most abundantly expressed proteins on earth, it seems justified to briefly review the different S-layer lattice types, the need for lattice imperfections and the discussion of S-layers from the perspective of an isoporous protein network in the ultrafiltration region. Finally, basic research on S-layers laid the foundation for applications in biotechnology, synthetic biology, and biomimetics.

Hydrogen Bonds, Topologies, Energy Frameworks and Solubilities of Five Sorafenib Salts

Sorafenib (Sor) is an oral multi-kinase inhibitor, but its water solubility is very low. To improve its solubility, sorafenib hydrochloride hydrate, sorafenib hydrobromide and sorafenib hydrobromide hydrate were prepared in the mixed solvent of the corresponding acid solution, and tetrahydrofuran (THF). The crystal structures of sorafenib hydrochloride trihydrate (Sor·HCl.3H2O), 4-(4-{3-[4-chloro-3-(trifluoro-methyl)phenyl]ureido}phenoxy)-2-(N-methylcarbamoyl) pyridinium hydrochloride trihydrate, C21H17ClF3N4O3+·Cl−.3H2O (I), sorafenib hydrochloride monohydrate (Sor·HCl.H2O), C21H17ClF3N4O3+·Cl−.H2O (II), its solvated form (sorafenib hydrochloride monohydrate monotetrahydrofuran (Sor·HCl.H2O.THF), C21H17ClF3N4O3+·Cl−.H2O.C4H8O (III)), sorafenib hydrobromide (Sor·HBr), 4-(4-{3-[4-chloro-3-(trifluoro-methyl)phenyl]ureido}phenoxy)-2-(N-methylcarbamoyl) pyridinium hydrobromide, C21H17ClF3N4O3+·Br− (IV) and sorafenib hydrobromide monohydrate (Sor·HBr.H2O), C21H17ClF3N4O3+·Br−.H2O (V) were analysed. Their hydrogen bond systems and topologies were investigated. The results showed the distinct roles of water molecules in stabilizing their crystal structures. Moreover, (II) and (V) were isomorphous crystal structures with the same space group P21/n, and similar unit cell dimensions. The predicted morphologies of these forms based on the BFDH model matched well with experimental morphologies. The energy frameworks showed that (I), and (IV) might have better tabletability than (II) and (V). Moreover, the solubility and dissolution rate data exhibited an improvement in the solubility of these salts compared with the free drug.

In-plane compression behavior of FDM-manufactured hierarchical and hybrid hierarchical hexagonal honeycombs for infrastructural safety applications

The infrastructure safety and response to the natural or man-caused calamities has always been a top consideration for any modern project. Impact energy absorption is one such area where advanced measures are being adopted to prevent any damage to the infrastructure from any impact caused by vehicles or other elements. Honeycomb structures have been primarily used in such high impact energy absorption applications. With the advent of modern additive manufacturing practices, drastic modifications to the simple honeycombs generally used are possible, thus expanding the reach and capability of these structures. In this article, in-plane uniaxial compression performance of hybrid and hierarchical hexagonal honeycombs has been studied in the context of strain energy absorption for in-plane impact such as the case of vehicle collision to the pillars of flyover or bridges. The polylactic acid (PLA) filament has been used to manufacture the honeycombs through fused deposition modeling (FDM) additive manufacturing technique. Simple hexagonal honeycombs have been studied first at low deformation speed to understand the deformation mechanics under uniaxial compression and its dependence on the unit cell dimensions and cell wall thickness. The effect of transition to the hybrid and hierarchical hexagonal honeycombs on the compression deformation has been highlighted next. While the hierarchical structures show better energy absorption capabilities and plateau stress, the hybrid hexagonal honeycombs show their high loadresistance. Dependence of the mechanical performance of such structures on the unit cell dimensions, orientation and wall thickness has also been examined through detailed experimental analysis.