Modified low temperature solid state synthesis and photoluminescent properties of Y0.48Li1.5V1 ? x P x O4:Eu3+ (x = 0.2, 0.4, 0.6) nanophosphors

A modified low temperature solid state process has been proposed to systematically synthesize europium-doped yttrium phosphate-vanadates with general formula Y_0.48Li_1.5V_{1 ? x} P _x O₄:Eu³⁺ (x = 0.2, 0.4, 0.6). All the Y_0.48Li_1.5V_{1 ? x} P _x O₄:Eu³⁺ products were characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM). The excitation and emission spectra were measured at room temperature. Y_0.48Li_1.5V_{1 ? x} P _x O₄:Eu³⁺ show the characteristic missions of Eu³⁺ (⁵ D ₀?⁷ F _{1, 2, 3, 4} transitions dominated by ⁵ D ₀?⁷ F ₂), intensities of the products were sensitive to the x value, and the x value had an obvious influence on the (⁵ D ₀?⁷ F ₂)/(⁵ D)₀?⁷ F ₁) intensity ratio of Eu³⁺. In addition, incorporation of Li⁺ ions in the phosphors reduce the amount of Y₂O₃, lower the cost of production, and cause a new phase Li₃VO₄.     

Non-symmetrically p-nitrobenzyl- and p-cyanobenzyl-substituted N-heterocyclic carbene-silver(I) complexes: synthesis,characterization and antibacterial studies

Various nitro/nitrile-functionalized benzimidazol-2-ylidene carbene complexes of silver(I) (7a–d and 11a–d) were synthesized by combination of 1-allyl/1-isopropyl/1-sec-butyl/1-isopentyl-3-(nitro/cyano-benzyl)-3H-benzimidazol-1-ium hexafluorophosphate (6a–d and 10a–d) with silver(I) oxide in acetonitrile. The compounds were characterized by ¹H, ¹³C NMR, FT-IR, mass spectrometry, and elemental analysis. Additionally, the in vitro antibacterial activity of the N-heterocyclic carbene (NHC) precursors (6a–d and 10a–d) and their corresponding NHC-silver(I) complexes (7a–d and 11a–d) were investigated against Gram-positive bacteria Staphylococcus aureus and Gram-negative bacteria Escherichia coli using the qualitative Kirby-Bauer disk diffusion method. All the NHC-silver(I) complexes exhibited medium-to-high antibacterial activity with areas of clearance ranging from 12 mm to 21 mm, while the NHC precursors were inactive against both strains of bacteria.     

Feasibility study of iron mineral separation from red mud by high gradient superconducting magnetic separation

The disposal of bayer red mud tailings now seriously threats the environment safety. Reduction and recycling of red mud is now an urgent work in aluminum industry. High gradient superconducting magnetic separation (HGSMS) system was applied to separate the extreme fine RM particles (<100 μm) into high iron content part and low iron content part. Two sorts of RM were fed in the HGSMS. The iron oxide contents in concentrates were about 65% and 45% when RM 1# and RM 2# were fed respectively. Meanwhile, the residues contained 52.0% or 14.1% iron oxide in residues after eight separation stages when RM 1# and RM 2# were fed respectively. The mass recovery of iron concentrates was about 10% after once separation process regardless of RM 1# or RM 2# was fed. Extreme fine particles (<10 μm) could be captured in the HGSMS. Intergrowth of Fe and other elements is disadvantages for iron mineral separation from RM by HGSMS. Some improvement should be studied to enhance the efficiency of iron separation. It is possible for HGSMS to separate RM into high iron content part and low iron content part, the former part could be used in iron-making furnace and the later part could be recycling to sintering process for alumina production or used as construction material.     

Enantioselective Recognition for Carboxylic Acids by Novel Chiral Macrocyclic Polyamides Derived from L-/D-tartaric Acid

The enantioselectivity of chiral macrocyclic polyamides 1–3 derived from L-/D-tartaric acid was investigated by using ¹H NMR. All the macrocycles exhibited certain chiral recognition towards the enantiomers of the racemic carboxylic acids we had chosen. As a chiral solvating agent, the compound 3 has the excellent enantiomeric discriminating ability for mandelic acids and its derivatives, containing an α-OH at the chiral carbon, while the compound 2 has the best enantioselectivity towards dibenzoyltartaric acid. The molar ratio and the association constants of the compound 3 with each of the enantiomers of some guest molecules were determined by using the Job's plots and a nonlinear leastsquares fitting method, respectively. The effect of the structure of the hosts or guests on the enantioselectivity of the compound 1–3 has been explored.     

Melting of pentaerythritol tetranitrate (PETN) nanoconfined in controlled pore glasses (CPG)

The melting temperature depression of pentaerythritol tetranitrate, nanoconfined in controlled pore glasses (CPG), was systematically studied by differential scanning calorimetry (DSC). The solid–liquid interfacial energy σ _sl was obtained from the Gibbs–Thomson equation fit to melting temperature vs. reciprocal pore diameter. The pore size distribution of the CPG pores was also estimated from the DSC data. Pore sizes obtained from the manufacturer by BET are compared with those determined from the DSC curves using either the curves directly or by assuming spherical shaped confining cavities. The thermal mass vales are in better agreement with the BET estimation.     

The structure and electronic property of the smallest C20‐glycine and Gd‐encapsulated C20‐glycine derivatives with potentially biological activity

Theoretical calculations on interaction of the C₂₀ fullerene (consists solely by pentagons) with the smallest amino acid (glycine) were carried out using density‐functional theory method. The glycine molecule energetically prefers to interact with the Top‐site on the C₂₀ cage via its amino nitrogen (N) active site. The stable ordering of three active sites on glycine molecule is NH₂‐site > O‐site > OH‐site. Moreover, when the Gd atom is encapsulated to the center of C₂₀‐glycine, the cage volume obviously increase ～24.8%; and the endohedral atom induces the generation of two strong bands in the partial density of states spectra, which could cause the effect on optical properties. Additionally, it is also found that the modified C₂₀‐glycine derivative by Gd atom can reduce the thermodynamic and kinetic stabilities. It could be expected that the study may provide a theoretical reference in exploring their intrinsic feature structurally to antitumor activity. © 2012 Wiley Periodicals, Inc.     

Theoretical Insights into the Nature of Halogen Bonding in Prereactive Complexes

Benchmark quality geometries and interaction energies for the prereactive halogen‐bonded complexes of dihalogens and ammonia, including hypothetical astatine containing dihalogens, have been produced via explicitly correlated coupled cluster methods. The application of local electron correlation partitioning reveals dispersion, electrostatics and ionic substitutions all contribute significantly to the interaction energy, with a linear relationship between the ionic substitutions and the degree of charge transfer. Potential energy curves for H₃N???ClF show that as the relative orientations of the two subunits are manipulated appreciable interactions can be found at considerably angular displaced geometries, signifying lower directionality in halogen bonding than previously supposed.