61 research outputs found

    Evaluation of electrothermal vaporization for sample introduction aiming at Cu isotopic analysis via multicollector-inductively coupled plasma mass spectrometry

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    A new method for Cu isotopic analysis was developed using a commercially available electrothermal vaporization (ETV) device coupled to multicollector-inductively coupled plasma mass spectrometry (MC-ICP-MS). The method demonstrated potential for the isotopic analysis of microsamples (e.g., 5 mu L) in a biological context. For example, Cu isotopic analysis of NIST 3114 (diluted to 1 mg L-1 Cu) using self-bracketing provided average delta Cu-65 values of 0.00 +/- 0.17%0 (2SD, n = 10) and internal precision values of 712 ppm. In order to achieve this level of accuracy and precision, it is critical to properly deal with the short transient signals generated by the ETV-MC-ICP-MS, which implies using point by point calculations and time lag detector correction (TDC), as well as a criterion to reject potential outliers. The results of this technique were compared with the results obtained via femtosecond-laser ablation-MC-ICPMS using the same pre-treated serum samples. No significant differences were observed among the results obtained in both cases, while external precision was 0.26%0 for ETV-MC-ICP-MS and 0.24%0 for fs-LA-MC-ICP-MS, expressed as median value of 2SD (n = 27), further proving the usefulness of the approach proposed in this context, as the use of ETV results in a more straightforward approach

    Initial modelled outputs at field scale

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    This report comprises Deliverable 6.16 in the project, which contributes to the third objective as it presents field-scale evaluation of innovations, in order to adapt and evaluate agroforestry designs and practices for locations where agroforestry is currently not-widely practised or declining. The modelling of outputs at field scale to support best agroforestry practices is an ongoing activity during the AGFORWARD project. This report highlights some of the outputs which has been produced in the form of three papers (either submitted or about to be submitted to a peer-reviewed journal) or in four presentations at the Third European Agroforestry Conference in May 2016N/

    Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of naphtho-, biphenyl- and biphenylenequinone isomers

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    International audienceBy calling on modelling approaches we have performed a comparative study on the redox properties of various naphtho-, biphenyl- and biphenylene-quinone isomers. These different compounds exhibit as a whole a redox potential range between 2.09 and 2.90 V vs. Li+/Li. A specific methodology was used to decrypt the interplay among isomerism, aromaticity and antiaromaticity modifications and the stabilization/destabilization effects due to other molecular components on this key electrochemical feature for electrode materials of batteries. In particular, energy decomposition analysis, within the Quantum Theory of Atoms in Molecules, along with the electron and electron spin population changes upon reduction nicely rationalise the observed potential trends. While 1,2- and 2,3-isomers show the highest/lowest redox potential in the biphenylene-quinone series, a reverse trend is observed for the naphtho-quinone, the compound having the two carbonyl groups on distinct rings being characterized by an intermediate value in both cases. There is instead almost no differentiation between 1,2 and 2,3 isomers for the biphenyl-quinone family
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