Preprint Open Access

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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    "doi": "10.1039/C8FD00238J", 
    "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": {
      "id": "CC-BY-4.0"
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    "title": "On the benefits of using multivariate analysis in mass spectrometric studies of combustion-generated aerosols", 
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        "title": "Portable Nano-Particle Emission Measurement System", 
        "acronym": "PEMs4Nano", 
        "program": "H2020", 
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    "keywords": [
      "Mass Spectrometry", 
      "Multivariate analysis", 
      "Complex mixtures"
    ], 
    "publication_date": "2019-03-06", 
    "creators": [
      {
        "orcid": "0000-0002-3873-4224", 
        "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
        "name": "D. Duca"
      }, 
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        "orcid": "0000-0002-6193-0426", 
        "affiliation": "ONERA \u2013 The French Aerospace Laboratory, F-91123 Palaiseau, France", 
        "name": "C. Irimiea"
      }, 
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        "orcid": "0000-0002-8791-0941", 
        "affiliation": "Univ. Lille, CNRS, UMR 8522, PC2A \u2013 Laboratoire de Physico-Chimie des Processus de Combustion de l'Atmosph\u00e8re, F-59000 Lille, France", 
        "name": "A. Faccinetto"
      }, 
      {
        "orcid": "0000-0003-4985-8254", 
        "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
        "name": "J. A. Noble"
      }, 
      {
        "orcid": "0000-0001-7908-9412", 
        "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
        "name": "M. Vojkovic"
      }, 
      {
        "orcid": "0000-0002-1677-4874", 
        "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
        "name": "Y. Carpentier"
      }, 
      {
        "orcid": "0000-0002-9299-2013", 
        "affiliation": "ONERA \u2013 The French Aerospace Laboratory, F-91123 Palaiseau, France", 
        "name": "I. K. Ortega"
      }, 
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        "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
        "name": "C. Pirim"
      }, 
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        "affiliation": "Univ. Lille, CNRS, UMR 8523, PhLAM \u2013 Laboratoire de Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France", 
        "name": "C. Focsa"
      }
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