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On the benefits of using multivariate analysis in mass spectrometric studies of combustion-generated aerosols

D. Duca; C. Irimiea; A. Faccinetto; J. A. Noble; M. Vojkovic; Y. Carpentier; I. K. Ortega; C. Pirim; C. Focsa


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{
  "description": "<p>The intricate chemistry of the carbonaceous particle surface layer (which drives their&nbsp;reactivity, environmental and health impacts) results in complex mass spectra. In this&nbsp;respect, detailed molecular-level analysis of combustion emissions may be challenging&nbsp;even with high-resolution mass spectrometry. Building on a recently proposed&nbsp;comprehensive methodology (encompassing all stages from sampling to data&nbsp;reduction), we propose herein a comparative analysis of soot particles produced by&nbsp;three different sources: a miniCAST standard generator, a laboratory diffusion flame and&nbsp;a single cylinder internal combustion engine. The surface composition is probed by&nbsp;either laser or secondary ion mass spectrometry. Two examples of multivariate analysis,&nbsp;Principal component analysis and hierarchical clustering analysis proved their efficiency&nbsp;in both identifying general trends and evidencing subtle differences that otherwise&nbsp;would remain unnoticed in the plethora of data generated during mass spectrometric&nbsp;analyses. Chemical information extracted from these multivariate statistical procedures&nbsp;contributes to a better understanding of fundamental combustion processes and also&nbsp;opens to practical applications such as the tracing of engine emissions.</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
      "@id": "https://orcid.org/0000-0002-3873-4224", 
      "@type": "Person", 
      "name": "D. Duca"
    }, 
    {
      "affiliation": "ONERA \u2013 The French Aerospace Laboratory, F-91123 Palaiseau, France", 
      "@id": "https://orcid.org/0000-0002-6193-0426", 
      "@type": "Person", 
      "name": "C. Irimiea"
    }, 
    {
      "affiliation": "Univ. Lille, CNRS, UMR 8522, PC2A \u2013 Laboratoire de Physico-Chimie des Processus de Combustion de l'Atmosph\u00e8re, F-59000 Lille, France", 
      "@id": "https://orcid.org/0000-0002-8791-0941", 
      "@type": "Person", 
      "name": "A. Faccinetto"
    }, 
    {
      "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
      "@id": "https://orcid.org/0000-0003-4985-8254", 
      "@type": "Person", 
      "name": "J. A. Noble"
    }, 
    {
      "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
      "@id": "https://orcid.org/0000-0001-7908-9412", 
      "@type": "Person", 
      "name": "M. Vojkovic"
    }, 
    {
      "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
      "@id": "https://orcid.org/0000-0002-1677-4874", 
      "@type": "Person", 
      "name": "Y. Carpentier"
    }, 
    {
      "affiliation": "ONERA \u2013 The French Aerospace Laboratory, F-91123 Palaiseau, France", 
      "@id": "https://orcid.org/0000-0002-9299-2013", 
      "@type": "Person", 
      "name": "I. K. Ortega"
    }, 
    {
      "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
      "@id": "https://orcid.org/0000-0001-5942-5001", 
      "@type": "Person", 
      "name": "C. Pirim"
    }, 
    {
      "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
      "@id": "https://orcid.org/0000-0002-4512-1098", 
      "@type": "Person", 
      "name": "C. Focsa"
    }
  ], 
  "headline": "On the benefits of using multivariate analysis in mass spectrometric studies of combustion-generated aerosols", 
  "image": "https://zenodo.org/static/img/logos/zenodo-gradient-round.svg", 
  "datePublished": "2019-03-06", 
  "url": "https://zenodo.org/record/3453426", 
  "keywords": [
    "Mass Spectrometry", 
    "Multivariate analysis", 
    "Complex mixtures"
  ], 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.1039/C8FD00238J", 
  "@id": "https://doi.org/10.1039/C8FD00238J", 
  "@type": "ScholarlyArticle", 
  "name": "On the benefits of using multivariate analysis in mass spectrometric studies of combustion-generated aerosols"
}
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