Chirality measures for nanostructures

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{
  "revision": 8, 
  "id": "2370", 
  "created": "2024-10-01T00:23:01.524924+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:e8-fw", 
    "status": "published", 
    "title": "Chirality measures for nanostructures", 
    "mcid": "2025.28", 
    "license_addendum": null, 
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    "owner": 1510, 
    "_oai": {
      "id": "oai:materialscloud.org:2370"
    }, 
    "keywords": [
      "chirality measures", 
      "toplogical metrics", 
      "chiral nanomaterials"
    ], 
    "conceptrecid": "2369", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "citation": "F. M. Colombari, A. Lozada-Blanco, W. R. Gomes, J. Ma, N. A. Kotov, A. F. de Moura, Nanoscale, submitted."
      }
    ], 
    "publication_date": "Feb 19, 2025, 10:18:18", 
    "license": "Materials Cloud non-exclusive license to distribute v1.0", 
    "id": "2370", 
    "description": "We survey the different definitions of chirality and the methods that have been devised to compute chirality metrics, with emphasis on the methods that became prevalent in chemistry and materials science, the Hausdorff Chirality Measure (HCM) and the Osipov-Pickup-Dunmur (OPD) index. We also discuss the recently introduced Graph Theoretical Chirality (GTC) index, which is expected to become an alternative to the OPD index. We demonstrate how these different approaches can be applied to systems ranging from a few nanometers to micrometers and above, as long as structural information is available from either computer simulations or experimental data. These recent breakthroughs in the calculation of chirality metrics should pave the way to deepen our understanding of how primary chiral information is translated into secondary chiral properties and how these lead to applications, providing the basis for a theory of chiral nanomaterials.", 
    "version": 1, 
    "contributors": [
      {
        "email": "felippe.colombari@lnbr.cnpem.br", 
        "affiliations": [
          "Brazilian Biorenewables National Laboratory (LNBR), Brazilian Center for Research in Energy and Materials (CNPEM), Giuseppe M\u00e1ximo Scolfaro, 10.000, Campinas, SP, Brazil, 13083-100."
        ], 
        "familyname": "Colombari", 
        "givennames": "Felippe"
      }, 
      {
        "email": "aslozada@gmail.com", 
        "affiliations": [
          "Department of Chemistry, Federal University of S\u00e3o Carlos, Rodovia Washington Luis km 235, S\u00e3o Carlos, SP, Brazil, 13565-905."
        ], 
        "familyname": "Lozada-Blanco", 
        "givennames": "Asdrubal"
      }, 
      {
        "email": "gomeswr@gmail.com", 
        "affiliations": [
          "Department of Chemistry, Federal University of S\u00e3o Carlos, Rodovia Washington Luis km 235, S\u00e3o Carlos, SP, Brazil, 13565-905."
        ], 
        "familyname": "Gomes", 
        "givennames": "Weverson"
      }, 
      {
        "email": "jqma@umich.edu", 
        "affiliations": [
          "Department of Chemical Engineering, Biointerfaces Institute, University of Michigan, 2800 Plymouth Road, Ann Arbor, MI, USA, 48109-2800.", 
          "Center of Complex Particle Systems (COMPASS), University of Michigan, 2800 Plymouth Road, Ann Arbor, MI, USA, 48109-2800."
        ], 
        "familyname": "Ma", 
        "givennames": "Jessica"
      }, 
      {
        "email": "kotov@umich.edu", 
        "affiliations": [
          "Department of Chemical Engineering, Biointerfaces Institute, University of Michigan, 2800 Plymouth Road, Ann Arbor, MI, USA, 48109-2800.", 
          "Center of Complex Particle Systems (COMPASS), University of Michigan, 2800 Plymouth Road, Ann Arbor, MI, USA, 48109-2800."
        ], 
        "familyname": "Kotov", 
        "givennames": "Nicholas"
      }, 
      {
        "email": "moura@ufscar.br", 
        "affiliations": [
          "Department of Chemistry, Federal University of S\u00e3o Carlos, Rodovia Washington Luis km 235, S\u00e3o Carlos, SP, Brazil, 13565-905."
        ], 
        "familyname": "de Moura", 
        "givennames": "Andr\u00e9"
      }
    ], 
    "edited_by": 576
  }, 
  "updated": "2025-02-19T09:18:18.579462+00:00"
}