{"id":3835,"date":"2023-02-20T17:04:27","date_gmt":"2023-02-20T15:04:27","guid":{"rendered":"https:\/\/marte.i3a.es\/?p=3835"},"modified":"2024-02-23T12:33:09","modified_gmt":"2024-02-23T10:33:09","slug":"andre-luiz-marques-de-souza","status":"publish","type":"post","link":"https:\/\/marte.i3a.es\/es\/andre-luiz-marques-de-souza\/","title":{"rendered":"Andr\u00e9 Luiz Marques de Souza"},"content":{"rendered":"
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    Investigadores<\/a><\/h3>\n

    Andr\u00e9 Luiz Marques de Souza<\/strong><\/h1>\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<\/li>\n\t\t<\/ul>\t\t\t\t
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      Tel\u00e9fono:<\/strong> +34 876 553 510<\/p>\n

      Email:<\/strong> andre.marques.souza@gmail.com<\/a><\/p>\n

      Direcci\u00f3n:<\/strong> c\/Pedro Cerbuna 12, Universidad de Zaragoza, Facultad de Ciencias, Departamento de Qu\u00edmica Anal\u00edtica \u2013 Zaragoza (Espa\u00f1a)<\/p>\n<\/div>\n<\/div><\/div><\/div><\/div><\/div>\n\n

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      Andr\u00e9 Marques - Licenciado en Qu\u00edmica (USP, Brasil), Master en Ciencia y Tecnolog\u00eda Qu\u00edmica (UFABC, Brasil) - es actualmente doctorando en el programa de Ciencias Anal\u00edticas en Qu\u00edmica, Grupo MARTE. Su tesis est\u00e1 basada en el desarrollo del an\u00e1lisis directo de muestras s\u00f3lidas por Espectroscop\u00eda de Absorci\u00f3n At\u00f3mica, explorando tambi\u00e9n la Absorci\u00f3n Molecular y sus posibilidades.<\/p>\n<\/div>\n<\/div><\/div><\/div><\/div><\/div>

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      2026<\/h3>

      Souza, Andr\u00e9 L. M.; Aramend\u00eda, Maite; Garc\u00eda-Ruiz, Esperanza; Nakadi, Fl\u00e1vio V.; Resano, Javier; Resano, Mart\u00edn<\/p>

      Single- and dual-isotopic analysis using high-resolution continuum-source graphite-furnace molecular absorption. Strategies for data selection, processing, and modeling<\/a> Art\u00edculo de revista<\/span> <\/p>

      En: <\/span>J. Anal. At. Spectrom., <\/span>pp. -, <\/span>2026<\/span>.<\/p>

      Resumen<\/a><\/span> | Enlaces<\/a><\/span> | BibTeX<\/a><\/span><\/p>

      @article{D6JA00062B,
      \r\ntitle = {Single- and dual-isotopic analysis using high-resolution continuum-source graphite-furnace molecular absorption. Strategies for data selection, processing, and modeling},
      \r\nauthor = {Andr\u00e9 L. M. Souza and Maite Aramend\u00eda and Esperanza Garc\u00eda-Ruiz and Fl\u00e1vio V. Nakadi and Javier Resano and Mart\u00edn Resano},
      \r\nurl = {http:\/\/dx.doi.org\/10.1039\/D6JA00062B},
      \r\ndoi = {10.1039\/D6JA00062B},
      \r\nyear  = {2026},
      \r\ndate = {2026-01-01},
      \r\njournal = {J. Anal. At. Spectrom.},
      \r\npages = {-},
      \r\npublisher = {The Royal Society of Chemistry},
      \r\nabstract = {This work evaluates different strategies for data processing, aiming at achieving isotopic information via high-resolution continuum-source graphite-furnace molecular absorption. For this purpose, two different molecules are investigated: CaF and CaCl. In the first case, only the measurement of 44Ca and 40Ca is pursued, whereas in the second case, isotopic variations affect both elements present in the molecule (44Ca and 40Ca, but also 37Cl and 35Cl). Thus, two different approaches are proposed. For Ca isotopic analysis through the monitoring of CaF, the effects of selecting the number of detection pixels and the number of molecular spectra, as well as of using a regression approach for temporal data, are discussed. Overall, using three detector pixels and using this regression approach tend to produce the best results (0.5\u20131.0% RSD) for isotopic analysis via HR CS GFMAS in those situations in which the signal can be derived from two separate peaks. On the other hand, to perform simultaneous Ca and Cl isotopic analysis by monitoring CaCl, a machine-learning strategy is proposed. The performance of such a model is promising for isotopic abundances of at least 10% (median absolute percentage error of 1.21%), while the error escalates when one of the isotopes shows a lower abundance. To detect such underperforming situations in real-world settings, it is recommended to monitor the prediction uncertainty to set thresholds and flag results with poor reliability.},
      \r\nkeywords = {},
      \r\npubstate = {published},
      \r\ntppubtype = {article}
      \r\n}
      \r\n<\/pre><\/div>
      Cerrar<\/a><\/p><\/div>
      This work evaluates different strategies for data processing, aiming at achieving isotopic information via high-resolution continuum-source graphite-furnace molecular absorption. For this purpose, two different molecules are investigated: CaF and CaCl. In the first case, only the measurement of 44Ca and 40Ca is pursued, whereas in the second case, isotopic variations affect both elements present in the molecule (44Ca and 40Ca, but also 37Cl and 35Cl). Thus, two different approaches are proposed. For Ca isotopic analysis through the monitoring of CaF, the effects of selecting the number of detection pixels and the number of molecular spectra, as well as of using a regression approach for temporal data, are discussed. Overall, using three detector pixels and using this regression approach tend to produce the best results (0.5\u20131.0% RSD) for isotopic analysis via HR CS GFMAS in those situations in which the signal can be derived from two separate peaks. On the other hand, to perform simultaneous Ca and Cl isotopic analysis by monitoring CaCl, a machine-learning strategy is proposed. The performance of such a model is promising for isotopic abundances of at least 10% (median absolute percentage error of 1.21%), while the error escalates when one of the isotopes shows a lower abundance. To detect such underperforming situations in real-world settings, it is recommended to monitor the prediction uncertainty to set thresholds and flag results with poor reliability.<\/div>
      Cerrar<\/a><\/p><\/div>