Ultraviolet photodepletion spectroscopy of dibenzo-18-crown-6-ether complexes with alkaline Earth metal divalent cations

Ultraviolet photodepletion spectra of dibenzo-18-crown-6-ether complexes with alkaline earth metal divalent cations (A(2+)-DB18C6, A = Ba, Sr, Ca, and Mg) were obtained in the gas phase using electrospray ionization quadrupole ion-trap reflectron time-of-flight mass spectrometry. Each spectrum exhibits the lowest energy absorption band in the wavenumber region of 35?400-37?800 cm(-1), which is tentatively assigned as the origin of the S(0)-S(1) transition of A(2+)-DB18C6. This origin band shows a red shift as the size of the metal dication increases from Mg(2+) to Ba(2+). The binding energies of the metal dications to DB18C6 at the S(0) state were calculated at the lowest energy structures optimized by the density functional theory and employed with the experimental energies of the origin bands to estimate the binding energies at the S(1) state. We suggest that the red shifts of the origin bands arise from the decrease in the binding energies of the metal dications at the S(1) state by nearly constant ratios with respect to the binding energies at the S(0) state, which decrease with increasing size of the metal dication. This unique relationship of the binding energies between the S(0) and S(1) states gives rise to a linear correlation between the relative shift of the origin band of A(2+)-DB18C6 and the binding energy of the metal dication at the S(0) state. The size effects of the metal cations on the properties of metal-DB18C6 complex ions are also manifested in the linear plot of the relative shift of the origin band as a function of the size to charge ratio of the metal cations, where the shifts of the origin bands for all DB18C6 complexes with alkali and alkaline earth metal cations are fit to the same line.     

Antioxidant and binding properties of methanol extracts from indigo plant leaves

This study was conducted to clarify the effect of ultra-pressure treatment on the extraction of bioactive compounds from indigo plant leaves (Polygonum tinctorium Lour.) and on their properties. Leaves were harvested the in mid-August, 2013, from Naju City (Korea), and treated using two methods: ultra-pressure (550 MPa, 3 min) and hot-air (70°C, 24 h). Then, the leaves were ultrasonically extracted with methanol. The content of indirubin in leaves treated with ultra pressure and hot air was (535.55 ± 26.14) mg kg^?1 and (52.63 ± 6.45) mg kg^?1, respectively, and that of tryptanthrin was (165.55 ± 8.74) mg kg^?1 and (153.00 ± 7.62) mg kg^?1, respectively. Polyphenolic content in the leaves extract was (127.24 ± 13.67) mg kg^?1 after the ultrapressure and (88.22 ± 5.33) mg kg^?1 after the hot-air treatment. The content of flavonoids was (2298.67 ± 83.27) mg kg^?1 after the ultra-pressure and (3224.00 ± 21.45) mg kg^?1 after the hotair treatment. Di(phenyl)-(2,4,6-trinitrophenyl)iminoazanium (DPPH) radical scavenging activities of the indigo extract obtained by ultra-pressure and hot-air treatment methods at the concentration of 1 mg mL^?1 were (80.25 ± 0.73) % and (66.54 ± 2.35) %, respectively, and 2,2′-azinobis(3-ethylbenzthiazoline-6-sulphonic acid) (ABTS) radical scavenging activities were estimated as (90.14 ± 0.79) % and (64.45 ± 8.97) %, respectively. The methanol leaf extract after ultra-pressure treatment exhibited higher binding properties to human serum albumin in comparison with catechin and conventional treatments. Consequently, it was assumed that the ultra-pressure treatment is an effective method for the extraction of bioactive compounds from indigo leaves.     

An Analytical Bond Order Potential for Mg−H Systems

Magnesium-based materials provide some of the highest capacities for solid-state hydrogen storage. However, efforts to improve their performance rely on a comprehensive understanding of thermodynamic and kinetic limitations at various stages of (de)hydrogenation. Part of the complexity arises from the fact that unlike interstitial metal hydrides that retain the same crystal structures of the underlying metals, MgH₂ and other magnesium-based hydrides typically undergo dehydrogenation reactions that are coupled to a structural phase transformation. As a first step towards enabling molecular dynamics studies of thermodynamics, kinetics, and (de)hydrogenation mechanisms of Mg-based solid-state hydrogen storage materials with changing crystal structures, we have developed an analytical bond order potential for Mg−H systems. We demonstrate that our potential accurately reproduces property trends of a variety of elemental and compound configurations with different coordinations, including small clusters and bulk lattices. More importantly, we show that our potential captures the relevant (de)hydrogenation chemical reactions 2H (gas)→H₂ (gas) and 2H (gas)+Mg (hcp)→MgH₂ (rutile) within molecular dynamics simulations. This verifies that our potential correctly prescribes the lowest Gibbs free energies to the equilibrium H₂ and MgH₂ phases as compared to other configurations. It also indicates that our molecular dynamics methods can directly reveal atomic processes of (de)hydrogenation of the Mg−H systems.     

Bochner–Riesz Means with Respect to a Generalized Cylinder

We study the L ^p boundedness of the generalized Bochner–Riesz means S ^λ which are defined as $$S^{\lambda}f(x) = \mathcal{F}^{-1} \left[\left(1 - \rho \right)_{+}^{\lambda} \widehat{f} \right](x)$$ where ${\rho(\xi) = {\rm max}\{|\xi_{1}|, \ldots, |\xi_{\ell}|\}}$ for ${\xi = (\xi_{1},\ldots, \xi_{\ell}) \in \mathbb{R}^{{d}_{1}} \times \cdots \times \mathbb{R}^{{d}_{\ell}}}$ and ${\mathcal{F}^{-1}}$ is the inverse Fourier transform.     

Structure and composition of secondary phase particles in cobalt-doped TiO2 films

The microstructural properties of secondary phase particles formed in epitaxial Co_xTi_1−xO₂ anatase thin films grown on (0 0 1)LaAlO₃ by a reactive RF magnetron co-sputter deposition are examined. These films exhibit ferromagnetic behavior in magnetization measurements, showing a M–H loop at room temperature with a saturation magnetization on the order of 0.7 μ_B /Co. X-ray photoemission spectrometry indicates that the Co cations are in the Co²⁺ valence state. Cross-section electron microscopy reveals that a significant fraction of the cobalt segregates into Co–Ti–O secondary phase particles. Selected area electron diffraction shows that the secondary phase particles are cobalt-rich anatase. While the cobalt is concentrated in the segregated particles, local energy dispersive spectrometry indicates some Co throughout the film.     

Effects of thermal annealing temperature and duration on hydrothermally grown ZnO nanorod arrays

In this study, the effects of thermal annealing temperature and duration on ZnO nanorod arrays fabricated by hydrothermal method were investigated. The annealed ZnO/Si(1 1 1) substrate was used for ZnO nanorod array growth. The effects of annealing treatment on the structural and optical properties were investigated by scanning electron microscopy, X-ray diffraction, and room-temperature photoluminescence measurements. With the annealing temperature of 750 °C and the annealing duration of 10 min, both the structural and optical properties of the ZnO nanorod arrays improved significantly, as indicated in the X-ray diffraction and photoluminescence measurement.     

Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

The surface chemical composition of dental enamel has been postulated as a contributing factor in the variation of bond strength of brackets bonded to teeth, and hence, the probability of bracket failure during orthodontic treatment. This study systematically investigated the chemical composition of 98 bonding surfaces of human maxillary premolars using X-ray photoelectron spectroscopy (XPS) to ascertain compositional differences between right and left first premolars. The major elements detected in all samples were calcium, phosphorus, oxygen, nitrogen and carbon. Surface compositions were highly variable between samples and several elements were found to be highly correlated. No statistical significant difference in the chemical composition of the maxillary right and left first premolars was found (p > 0.05). Knowledge of the chemical composition of enamel surfaces will facilitate future studies that relate this information to the variations in dental enamel bond strength.