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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  <identifier identifierType="URL">https://zenodo.org/record/3453426</identifier>
  <creators>
    <creator>
      <creatorName>D. Duca</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-3873-4224</nameIdentifier>
      <affiliation>Univ. Lille, CNRS, UMR 8523, PhLAM – Laboratoire de Physique des Lasers Atomes et Molécules, F-59000 Lille, France</affiliation>
    </creator>
    <creator>
      <creatorName>C. Irimiea</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-6193-0426</nameIdentifier>
      <affiliation>ONERA – The French Aerospace Laboratory, F-91123 Palaiseau, France</affiliation>
    </creator>
    <creator>
      <creatorName>A. Faccinetto</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-8791-0941</nameIdentifier>
      <affiliation>Univ. Lille, CNRS, UMR 8522, PC2A – Laboratoire de Physico-Chimie des Processus de Combustion de l'Atmosphère, F-59000 Lille, France</affiliation>
    </creator>
    <creator>
      <creatorName>J. A. Noble</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4985-8254</nameIdentifier>
      <affiliation>Univ. Lille, CNRS, UMR 8523, PhLAM – Laboratoire de Physique des Lasers Atomes et Molécules, F-59000 Lille, France</affiliation>
    </creator>
    <creator>
      <creatorName>M. Vojkovic</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-7908-9412</nameIdentifier>
      <affiliation>Univ. Lille, CNRS, UMR 8523, PhLAM – Laboratoire de Physique des Lasers Atomes et Molécules, F-59000 Lille, France</affiliation>
    </creator>
    <creator>
      <creatorName>Y. Carpentier</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-1677-4874</nameIdentifier>
      <affiliation>Univ. Lille, CNRS, UMR 8523, PhLAM – Laboratoire de Physique des Lasers Atomes et Molécules, F-59000 Lille, France</affiliation>
    </creator>
    <creator>
      <creatorName>I. K. Ortega</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9299-2013</nameIdentifier>
      <affiliation>ONERA – The French Aerospace Laboratory, F-91123 Palaiseau, France</affiliation>
    </creator>
    <creator>
      <creatorName>C. Pirim</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5942-5001</nameIdentifier>
      <affiliation>Univ. Lille, CNRS, UMR 8523, PhLAM – Laboratoire de Physique des Lasers Atomes et Molécules, F-59000 Lille, France</affiliation>
    </creator>
    <creator>
      <creatorName>C. Focsa</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-4512-1098</nameIdentifier>
      <affiliation>Univ. Lille, CNRS, UMR 8523, PhLAM – Laboratoire de Physique des Lasers Atomes et Molécules, F-59000 Lille, France</affiliation>
    </creator>
  </creators>
  <titles>
    <title>On the benefits of using multivariate analysis in mass spectrometric studies of combustion-generated aerosols</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2019</publicationYear>
  <subjects>
    <subject>Mass Spectrometry</subject>
    <subject>Multivariate analysis</subject>
    <subject>Complex mixtures</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2019-03-06</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Preprint</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3453426</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1039/C8FD00238J</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;The intricate chemistry of the carbonaceous particle surface layer (which drives their&amp;nbsp;reactivity, environmental and health impacts) results in complex mass spectra. In this&amp;nbsp;respect, detailed molecular-level analysis of combustion emissions may be challenging&amp;nbsp;even with high-resolution mass spectrometry. Building on a recently proposed&amp;nbsp;comprehensive methodology (encompassing all stages from sampling to data&amp;nbsp;reduction), we propose herein a comparative analysis of soot particles produced by&amp;nbsp;three different sources: a miniCAST standard generator, a laboratory diffusion flame and&amp;nbsp;a single cylinder internal combustion engine. The surface composition is probed by&amp;nbsp;either laser or secondary ion mass spectrometry. Two examples of multivariate analysis,&amp;nbsp;Principal component analysis and hierarchical clustering analysis proved their efficiency&amp;nbsp;in both identifying general trends and evidencing subtle differences that otherwise&amp;nbsp;would remain unnoticed in the plethora of data generated during mass spectrometric&amp;nbsp;analyses. Chemical information extracted from these multivariate statistical procedures&amp;nbsp;contributes to a better understanding of fundamental combustion processes and also&amp;nbsp;opens to practical applications such as the tracing of engine emissions.&lt;/p&gt;</description>
  </descriptions>
  <fundingReferences>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/724145/">724145</awardNumber>
      <awardTitle>Portable Nano-Particle Emission Measurement System</awardTitle>
    </fundingReference>
  </fundingReferences>
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