Classifying spaces and homotopy sets of axes of pairings

We consider the maps between classifying spaces of the form . The main theorem shows that if the restriction map on is a weak epimorphism, then the restriction on should factor through the classifying spaces of the center of the compact Lie group . An application implies that is an H-space (Hopf space) if and only if is abelian.

     

Volcanic Quartz Growth Zoning Identified by Cathodoluminescence and EPMA Studies

 Quartz is a common phenocryst in acidic volcanic rocks but rarely contributes to the understanding of the magmatic or eruptive processes due to its apparent chemical homogeneity. Cathodoluminescence studies indicate that volcanic quartz is strongly zoned with respect to the trace elements. The determination of this zoning can help to elucidate the crystallisation history of the magmatic rock. Polished thin sections from rhyolitic and dacitic volcanic rocks were examined by cathodoluminescence mounted on an optical microscope and analysed by electron probe microanalysis. X-ray mapping of the trace elements incorporated in the zoned quartz was also performed. The interpretation of the data obtained from these different analytical methods provides useful information on the chemical zoning of single crystals and therefore on the chemico-physical conditions of the melt from which the quartz crystallised. Quartz from dacitic rock shows a complex cathodoluminescence oscillatory zoning, consisting of large red-brown and blue bands concentric to a resorbed core. Quartz from rhyolite shows simpler cathodoluminescence zoning, consisting of dark to bright blue luminescent bands. The EMPA analyses and the X-ray maps combined with the cathodoluminescence images suggest a clear correlation between the concentrations of some trace element (mainly Al and Ti, acting as activators of luminescence) and the cathodoluminescence colours pattern zoning. The incorporation of these trace elements during the growth of the crystals is linked to small variations in the thermo-chemical properties of the magma such as temperature and chemical composition.     

Consensus QSAR models estimating acute toxicity to aquatic organisms from different trophic levels: algae,Daphnia and fish

ABSTRACT

We report new consensus models estimating acute toxicity for algae, Daphnia and fish endpoints. We assembled a large collection of 3680 public unique compounds annotated by, at least, one experimental value for the given endpoint. Support Vector Machine models were internally and externally validated following the OECD principles. Reasonable predictive performances were achieved (RMSE_ext = 0.56–0.78) which are in line with those of state-of-the-art models. The known structural alerts are compared with analysis of the atomic contributions to these models obtained using the ISIDA/ColorAtom utility. A benchmarking against existing tools has been carried out on a set of compounds considered more representative and relevant for the chemical space of the current chemical industry. Our model scored one of the best accuracy and data coverage.

Nevertheless, industrial data performances were noticeably lower than those on public data, indicating that existing models fail to meet the industrial needs. Thus, final models were updated with the inclusion of new industrial compounds, extending the applicability domain and relevance for application in an industrial context. Generated models and collected public data are made freely available.     

用改进的重叠分辨率优化法于薄层色谱分离二茂铪化合物

在薄层色谱中分离一系列二茂铪化合物，首先利用黄金分割优选法优化二元展开剂体系，然后按优化结果把二元展开剂混合成四元溶剂体系，共用重叠分辨率法确定四元展开剂体系的最佳组成，分离结果令人满意，同时，本文还对等溶剂强度条件和不等溶剂强度条件下的优化结果做了比较和讨论。     

Nanomechanical and Chemical Mapping of the Structure and Interfacial Properties in Immiscible Ternary Polymer Systems

It is a challenge to identify each phase in a multi-component polymer system and uniquely determine the interfacial properties between the different phases. Using atomic force microscopy nanomechanical mapping(AFM-NM) and AFM-based infrared spectroscopy(AFMIR), we identify each phase, visualize structural developments, and determine the interfacial properties in a blend of three polymers: high-density polyethylene(HDPE), polyamide(PA6) and poly(styrene-b-ethylene-co-butylene-b-styrene)(SEBS). Each phase can be identified from the Young's modulus, along with the structural development within the phases before and after compatibilization. The interfacial widths between HDPE/PA6,HDPE/SEBS and SEBS/PA6 were determined independently in one measurement from a Young's modulus map. The structural, mechanical property development and identity of the phases were determined by AFM-NM, while AFM-IR, providing complementary chemical information,identified interfacial reactions, showed the chemical affinity of a compatibilizer with the component phases, and mapped the distribution of the compatibilizer in the ternary polymer blends. The chemical, structural and interfacial information obtained by these measurements provide information that is essential for producing mechanically robust materials from incompatible mixtures of polymers.     

Imaging of Oral SCC Cells by Raman Micro-Spectroscopy Technique

We used Raman micro-spectroscopy technique to analyze the molecular changes associated with oral squamous cell carcinoma (SCC) cells in the form of frozen tissue. Previously, Raman micro-spectroscopy technique on human tissue was mainly based on spectral analysis, but we worked on imaging of molecular structure. In this study, we evaluated the distribution of four components at the cell level (about 10 μm) to describe the changes in protein and molecular structures of protein belonging to malignant tissue. We analyzed ten oral SCC samples of five patients without special pretreatments of the use of formaldehyde. We obtained cell level images of the oral SCC cells at various components (peak at 935 cm⁻¹: proline and valine, 1004 cm⁻¹: phenylalanine, 1223 cm⁻¹: nucleic acids, and 1650 cm⁻¹: amide I). These mapping images of SCC cells showed the distribution of nucleic acids in the nuclear areas; meanwhile, proline and valine, phenylalanine, and amide I were detected in the cytoplasm areas of the SCC cells. Furthermore, the peak of amide I in the cancer area shifts to the higher wavenumber side, which indicates the α-helix component may decrease in its relative amounts of protein in the β-sheet or random coil conformation. Imaging of SCC cells with Raman micro-spectroscopy technique indicated that such a new observation of cancer cells is useful for analyzing the detailed distribution of various molecular conformation within SCC cells.     

Quantitative Compositional Analyses of Calcareous Rocks for Lime Industry Using LIBS

Here, the potential of laser-induced breakdown spectroscopy (LIBS) in grading calcareous rocks for the lime industry was investigated. In particular, we developed a system equipped with non-intensified detectors operating in scanning mode, defined a suitable data acquisition protocol, and implemented quantitative data processing using both partial least squares regression (PLS-R) and a multilayer perceptron (MLP) neural network. Tests were carried out on 32 samples collected in various limestone quarries, which were preliminarily analyzed using traditional laboratory X-ray fluorescence (XRF); then, they were divided into two groups for calibration and validation. Particular attention was dedicated to the development of LIBS methodology providing a reliable basis for precise material grading. The congruence of the results achieved demonstrates the capability of the present approach to precisely quantify major and minor geochemical components of calcareous rocks, thus disclosing a concrete application perspective within the lime industry production chain.     

Spin-Labeled Riboswitch Synthesized from a Protected TPA Phosphoramidite Building Block

The nitroxide TPA (2,2,5,5-tetramethyl-pyrrolin-1-oxyl-3-acetylene) is an excellent spin label for EPR studies of RNA. Previous synthetic methods, however, are complicated and require special equipment. Herein, we describe a uridine derived phosphoramidite with a photocaged TPA unit attached. The light sensitive 2-nitrobenzyloxymethyl group can be removed in high yield by short irradiation at 365 nm. Based on this approach, a doubly spin-labeled 27mer neomycin sensing riboswitch was synthesized and studied by PELDOR. The overall thermal stability of the fold is not much reduced by TPA. In-line probing nevertheless detected changes in local mobility.     

Capillary column high-performance liquid chromatographic-electrospray ionization triple-stage quadrupole mass spectrometric analysis of proteins separated by two-dimensional polyacrylamide gel electrophoresis application to cerebellar protein mapping

A method is presented for the structural characterization of proteins separated by two-dimensional poly-acrylamide gel electrophoresis (2D-PAGE). The method includes separation of a protein mixture by 2D-PAGE, recovery of proteins from the gel spots revealed by copper staining and analysis of the proteins by triple-stage quadrupole mass spectrometry using an electrospray ionization interface (ESI-TSQMS). Prior to the mass spectrometric analysis, the extracted proteins were passed through a small reversed-phase column (10 × 4.0 mm I.D.) to remove salts and gel-derived contaminants and then introduced into the mass spectrometer through a reversed-phase capillary column with 0.25 mm I.D. Application of the method to the analysis of rat cerebellar proteins suggests that the molecular mass could be accurately determined with sub-picomole amounts of protein samples derived from one or two 2D gels. The method was also useful for peptide mapping and determination of amino acid sequences of proteins micro-prepared from the 2D gel. Because 2D-PAGE has an excellent resolving power in protein separation and because capillary LC-ESI-TSQMS provides structural information with very small amounts of samples, the combined system of 2D-PAGE and capillary LC-ESI-TSQMS described here should allow wide applications to molecular studies of genes and proteins, such as identifications of protein spots on 2D gels, confirmation of gene/protein sequences and analysis of post-translational modification of proteins present naturally in tissue/cell extracts or expressed by recombinant DNA techniques.     

Localisation and quantification of potential binding sites for compatibilisers on soft‐ and hardwood in wood–plastic composite systems

Chemical force microscopy (CFM) was used to characterise the surface of pine and beefwood with atomic force microscopy (AFM) tips coated with different compatibilisers. With the resulting force images, potential binding sites for compatibilisers, used in wood–plastic composites (WPC) to enhance adhesion between two relatively incompatible phases, were localised and quantified. Tips were coated with two commercially available polymers namely ethylene vinyl alcohol (EVOH) and polyethylene‐grafted maleic anhydride (PE‐g‐MA). It could be observed that the interaction forces between the EVOH coated tip and the wood surface was highly species sensitive, whereas adhesive forces measured between the PE‐g‐MA coated tip and the wood surface were comparable for both wood species. The force maps show that wood species differ in the distribution of functional groups, and the force histograms show that the frequency distribution of the adhesive forces varied for the two wood species. The adhesive force maps clearly show a difference between wood/compatibiliser systems, and the differences can be related to the chemical composition of the wood species. The results confirm that not all compatibilisers are equally suitable for all wood species and these results were confirmed by mechanical tensile tests of WPC systems in a related study. Copyright © 2016 John Wiley & Sons, Ltd.