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Past mining activities in the area of Silvermines, Ireland, have resulted in heavily polluted soils. The possibility of spreading pollution to the surrounding areas through dust blow-offs poses a potential threat for the local communities. Conventional environmental soil and dust analysis techniques are very slow and laborious and consequently there is a need for fast and accurate analytical methods, which can provide real-time in situ pollution mapping. Laboratory-based aqua regia acid digestion of the soil samples collected in the area followed by the atomic absorption spectrophotometry (AAS) analysis confirmed very high pollution, especially by Pb, As, Cu, and Zn. In parallel, samples were analyzed using portable X-ray fluorescence radioisotope and miniature tube powered (XRF) NITON instruments and their performance was compared. Overall, the portable XRF instrument gave excellent correlation with the laboratory-based reference AAS method.
In this work, a new method based on nanoscaled Ni-P alloy coating on carbon fiber surfaces is proposed for the improvement of interfacial properties between fibers and epoxy matrix in a composite system. Fiber surfaces and the mechanical interfacial properties of composites were characterized by atomic absorption spectrophotometer (AAS), scanning electron microscopy (SEM), X-ray photoelectron spectrometry (XPS), interlaminar shear strength (ILSS), and impact strength. Experimental results showed that the O(1s)/C(1s) ratio or Ni and P amounts had been increased as the electroless nickel plating proceeded; the ILSS had also been slightly improved. The impact properties were significantly improved in the presence of Ni-P alloy on carbon fiber surfaces, increasing the ductility of the composites. This was probably due to the effect of substituted Ni-P alloy, leading to an increase of the resistance to the deformation and the crack initiation of the epoxy system.
Coarse grain (CG) models allow long-scale simulations with a much lower computational cost than that of all-atom simulations. However, the absence of atomistic detail impedes the analysis of specific atomic interactions that are determinant in most interesting biomolecular processes. In order to study these phenomena, it is necessary to reconstruct the atomistic structure from the CG representation. This structure can be analyzed by itself or be used as an onset for atomistic molecular dynamics simulations. In this work, we present a computer program that accurately reconstructs the atomistic structure from a CG model for proteins, using a simple geometrical algorithm. The software is free and available online at Supplementary data are available at Bioinformatics online. lula@qi.fcen.uba.ar. The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com. 2ff7e9595c
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