Exploration of transmission efficiency and quantitative measurement of the Axis Ultra electron spectrometer

The estimation of transmission efficiency was done on an Axis Ultra electron spectrometer according to the parameters presented in the literatures. At the same time, Ag, Au, and Cu were measured as standard sample to check the real transmission efficiency. Compared the measured intensities with the estimated ones, it was found that the X-ray flux of dual anode Mg Kα on the samples should be much more than 6.0 × 10¹¹ photons mm⁻² s⁻¹, which was different from the data given in the literature. Transmission function correction was also done and the quantification results were tested with stoichiometric samples of NaCl and KI after the transmission function correction, and the results agree well with the essentially stoichiometric relation. The analytical approach and procedure can provide valuable reference for the quantification analysis and correction of conventional electron spectrometer.     

Reduced Surfactant Uptake in Three Dimensional Assemblies of VOx Nanotubes Improves Reversible Li+ Intercalation and Charge Capacity

The relationship between the nanoscale structure of vanadium pentoxide nanotubes and their ability to accommodate Li⁺ during intercalation/deintercalation is explored. The nanotubes are synthesized using two different precursors through a surfactant‐assisted templating method, resulting in standalone VO _x (vanadium oxide) nanotubes and also “nano‐urchin”. Under highly reducing conditions, where the interlaminar uptake of primary alkylamines is maximized, standalone nanotubes exhibit near‐perfect scrolled layers and long‐range structural order even at the molecular level. Under less reducing conditions, the degree of amine uptake is reduced due to a lower density of V⁴⁺ sites and less V₂O₅ is functionalized with adsorbed alkylammonium cations. This is typical of the nano‐urchin structure. High‐resolution TEM studies revealed the unique observation of nanometer‐scale nanocrystals of pristine unreacted V₂O₅ throughout the length of the nanotubes in the nano‐urchin. Electrochemical intercalation studies revealed that the very well ordered xerogel‐based nanotubes exhibit similar specific capacities (235 mA h g^?1) to Na⁺‐exchange nanorolls of VO_x (200 mA h g^?1). By comparison, the theoretical maximum value is reported to be 240 mA h g^?1. The VOTPP‐based nanotubes of the nano‐urchin 3D assemblies, however, exhibit useful charge capacities exceeding 437 mA h g^?1, which is a considerable advance for VO_x based nanomaterials and one of the highest known capacities for Li⁺ intercalated laminar vanadates.     

Testing endocrine disruption in biota samples: a method to remove interfering lipids and natural hormones

A cleanup method was developed to remove coextracted lipids and natural hormones from biota samples in order to test the endocrine-disrupting (ED) capacity of their extracts in in vitro bioassays. Unspiked and spiked fish tissues were cleaned with a combination of dialysis, gel permeation chromatography (GPC), and normal-phase liquid chromatography (NP-HPLC). The spiking mixture consisted of a broad range of environmental pollutants (endocrine disruptors and genotoxic compounds). Chemical recoveries of each test compound, and thyroid-hormone-like and (anti)androgenic activities of the cleaned extracts were investigated. Despite the chemical and toxicological complexity of the spiking mixture and the sequential sample treatment, chemical analysis revealed acceptable recoveries on average: 89 ± 8% after each cleanup step separately and 75 ± 3% after the whole extraction and cleanup procedure in the extracts. In addition, recovered activities in the bioassays were in good agreement with the spiking levels. The developed cleanup method proved to be capable of lipid and natural hormone removal from fish extracts, enabling the measurement of selected endocrine-hormone-like activities in T(4)*-TTR and AR-CALUX bioassays. The method can be used as a sample preparation method of biota samples for toxicity profiling and effect-directed analysis (EDA).     

Storage and behavior of As, Sb, Pb, and Cu in ombrotrophic peat bogs under contrasting water table conditions

Concentration depth profiles and inventories of solid-phase As, Sb, Pb, and Cu were determined in 21?Pb-dated cores from an ombrotrophic peat bog in northwest England. Cores were collected from the peat dome and adjacent to an eroding gully. Down-core distributions of As, Sb, Pb, and Cu in the dome core are almost identical. The water table is close to the dome surface with only short-term draw-down. Under these conditions, As, Sb, Pb, and Cu are immobile, allowing the reconstruction of trends in historical contaminant deposition. The peak in atmospheric deposition of As, Sb, Pb, and Cu (4.59, 2.78, 147, and 26.7 mg m?2 y?1, respectively) occurred during the late 19th century. Stable Pb isotope ratios reveal that Pb deposition during this period was from indigenous and foreign sources. The mean water table is much lower at the gully edge, and there are pronounced interannual fluctuations. These conditions have not affected the integrity of the Pb and Cu records but have caused postdepositional mobilization and redistribution of As and Sb. Cumulative inventories show significant loss of As and Sb at the gully edge site. Long-term water table draw-down in ombrotrophic peat bogs has the potential to alter the geochemistry and fate of previously deposited As and Sb.     

Nitrogen dynamics following grain legumes and subsequent catch crops and the effects on succeeding cereal crops

The effects of faba bean, lupin, pea and oat crops, with and without an undersown grass-clover mixture as a nitrogen (N) catch crop, on subsequent spring wheat followed by winter triticale crops were determined by aboveground dry matter (DM) harvests, nitrate (NO₃) leaching measurements and soil N balances. A 2½-year lysimeter experiment was carried out on a temperate sandy loam soil. Crops were not fertilized in the experimental period and the natural ¹⁵N abundance technique was used to determine grain legume N₂ fixation. Faba bean total aboveground DM production was significantly higher (1,300 g m^?2) compared to lupin (950 g m^?2), pea (850 g m^?2) and oat (1,100 g m^?2) independent of the catch crop strategy. Faba bean derived more than 90% of its N from N₂ fixation, which was unusually high as compared to lupin (70–75%) and pea (50–60%). No effect of preceding crop was observed on the subsequent spring wheat or winter triticale DM production. Nitrate leaching following grain legumes was significantly reduced with catch crops compared to without catch crops during autumn and winter before sowing subsequent spring wheat. Soil N balances were calculated from monitored N leaching from the lysimeters, and measured N-accumulation from the leguminous species, as N-fixation minus N removed in grains including total N accumulation belowground according to Mayer et al. (2003a). Negative soil N balances for pea, lupin and oat indicated soil N depletion, but a positive faba bean soil N balance (11 g N m^?2) after harvest indicated that more soil mineral N may have been available for subsequent cereals. However, the plant available N may have been taken up by the grass dominated grass-clover catch crop which together with microbial N immobilization and N losses could leave limited amounts of available N for uptake by the subsequent two cereal crops.     

Colour constancy of vat prints on cotton fabrics

Colour constancy of prints with vat dyes on cotton fabrics was investigated by computing the CMCCON02 colour inconstancy index with the key element CAT02 for chromatic adaptation transform. The results show that the highest changes in colour appearance can be expected when the average daylight is replaced with fluorescent light. If D65 daylight is replaced with some other type of daylight, such as D50 or D55, only minor colour deviations occur which do not substantially change the colour appearance of the prints. The analysis of the influence of the lightness and chromaticity of prints shows that the chromaticity of the samples significantly affects their colour constancy. The change of appearance of the prints with lower chroma because of changed illumination conditions is less probable. The influence of a dye blend composition was also investigated. On average, multi‐coloured dye blends have proved to be more colour constant.     

Solvent effect on the ion adsorption from ionic liquid electrolyte into sub-nanometer carbon pores

This paper presents the results from the investigation of the influence of ion size on the capacitance behaviour of TiC-derived carbon (CDC) powders in the ethyl-methylimmidazolium-bis(trifluoro-methane-sulfonyl)imide ionic liquid (EMI, TFSI) used as neat electrolyte at 60 °C or as salt dissolved in acetonitrile and tested at room temperature. These studies were carried out with the assembly of conventional 3-electrode electrochemical cells as well as using the Cavity-MicroElectrode (CME) technique. The issues regarding the extents of desolvation of the electrolyte ions when adsorbed in the pores of the CDCs under applied potential were studied, the CME technique was found to be particularly efficient in the deduction of the effective ion size under solvated conditions.     

SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping

We present a method for fragment/scaffold substitution based on protein–ligand interactions. This concept goes beyond bioisosteric replacement, which only uses the structure of the fragment to replace as query. The methodology is validated with more than 10 biological targets relevant for drug discovery.

     

Oil transesterification over calcium oxides modified with lanthanum

Investigations were conducted on a series of calcium and lanthanum oxides catalyst for biodiesel production. Mixed oxides catalyst showed a superior transesterification activity over pure calcium or pure lanthanum oxide catalysts. The catalyst activity was correlated with surface basicity and specific surface areas. The effects of water and free fatty acids (FFA) levels in oil feedstock, water and CO₂ in air, mass ratio of catalyst, molar ratio of oil to methanol, and reaction temperature on fatty acid methyl ester (FAME) yield were investigated. Under optimal conditions, FAME yields reached 94.3% within 60 min at 58 °C. Mixed CaO-La₂O₃ catalyst showed a high tolerance to water and FFA, and could be used for converting pure or diluted unrefined/waste oils to biodiesel.     

Nitrogenation of boron doped diamond: Comparison of an electrochemical treatment in liquid ammonia and a NH3/N2 plasma

In the present work, two different nitrogenation of diamond surface were studied onto moderately doped BDD samples (10¹⁹ at cm^? 3). The effects of an electrochemical treatment in liquid ammonia have been compared to those produced by NH₃/N₂ plasma. The evolution of surface terminations from “CH” to “CN” has been studied by XPS analyses for both nitrogenation methods. Angle contact measurements complete this work, estimating the effect of such treatments on BDD wettability properties. Finally, cyclic voltammetry in presence of redox systems have been carried out to evidence the impact of “CN” bonds on BDD electrochemical behavior. In both cases the formation of “CN” terminations was evidenced by XPS analyses. Physico-chemical properties of BDD electrodes, deduced from contact angle and electrochemical measurements, were strongly modified according the process. The galvanostatic treatment in liquid ammonia led to a more hydrophobic diamond surface and an improvement of the charge transfer with Ce^4+/3+ redox couple, while a more hydrophilic surface and a notable decrease of the electrochemical response were generated by NH₃/N₂ plasma treatment.