¹⁸⁷Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications

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{
  "metadata": {
    "mcid": "2024.197", 
    "edited_by": 576, 
    "_files": [
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    "id": "2474", 
    "contributors": [
      {
        "givennames": "Iryna", 
        "affiliations": [
          "University of Vienna, Institute of Inorganic Chemistry, W\u00e4hringer Strasse 42, 1090 Vienna, Austria", 
          "Institute of Science and Technology Austria (ISTA), Am Campus 1, A-3400 Klosterneuburg, Austria"
        ], 
        "familyname": "Stepanenko"
      }, 
      {
        "email": "zhishuohuang@gmail.com", 
        "affiliations": [
          "Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, 117543, Singapore"
        ], 
        "givennames": "Zhishuo", 
        "familyname": "Huang"
      }, 
      {
        "email": "chmlu@nus.edu.sg", 
        "affiliations": [
          "Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, 117543, Singapore"
        ], 
        "givennames": "Liviu", 
        "familyname": "Ungur"
      }, 
      {
        "givennames": "Dimitrios", 
        "affiliations": [
          "European Synchrotron Radiation Facility, F-38043 Grenoble, France"
        ], 
        "familyname": "Bessas"
      }, 
      {
        "givennames": "Aleksandr", 
        "affiliations": [
          "European Synchrotron Radiation Facility, F-38043 Grenoble, France"
        ], 
        "familyname": "Chumakov"
      }, 
      {
        "givennames": "Ilya", 
        "affiliations": [
          "Deutsches Elektronen Synchrotron D-22607 Hamburg, Germany"
        ], 
        "familyname": "Sergueev"
      }, 
      {
        "givennames": "Gabriel E.", 
        "affiliations": [
          "ChemConsult GmbH, P.O. Box 43, 9485 Nendeln, Liechtenstein"
        ], 
        "familyname": "B\u00fcchel"
      }, 
      {
        "givennames": "Abdullah A.", 
        "affiliations": [
          "Chemistry Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia"
        ], 
        "familyname": "Al-Kahtani"
      }, 
      {
        "email": "liviu.chibotaru@kuleuven.be", 
        "affiliations": [
          "Theory of Nanomaterials Group, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium"
        ], 
        "givennames": "Liviu F.", 
        "familyname": "Chibotaru"
      }, 
      {
        "email": "jtelser@roosevelt.edu", 
        "affiliations": [
          "Department of Biological, Physical and Health Sciences, Roosevelt University, 430 S. Michigan Avenue, Chicago, Illinois 60605, USA"
        ], 
        "givennames": "Joshua", 
        "familyname": "Telser"
      }, 
      {
        "email": "vladimir.arion@univie.ac.at", 
        "affiliations": [
          "University of Vienna, Institute of Inorganic Chemistry, W\u00e4hringer Strasse 42, 1090 Vienna, Austria"
        ], 
        "givennames": "Vladimir B.", 
        "familyname": "Arion"
      }
    ], 
    "status": "published", 
    "title": "<sup>187</sup>Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications", 
    "references": [
      {
        "doi": "https://doi.org/10.48550/arXiv.2404.18683", 
        "type": "Preprint", 
        "citation": "Please use the following style: I. Stepanenko, Z. Huang, L. Ungur, D. Bessas, A. Chumakov, I. Sergueev, G. E. B\u00fcchel, A. A. Al-Kahtani, L. Chibotaru, J. Telser, V. B. Arion, arXiv:2404.18683v2 (2024)."
      }
    ], 
    "license_addendum": null, 
    "license": "Creative Commons Attribution 4.0 International", 
    "doi": "10.24435/materialscloud:x4-fp", 
    "version": 1, 
    "_oai": {
      "id": "oai:materialscloud.org:2474"
    }, 
    "publication_date": "Dec 10, 2024, 15:10:46", 
    "keywords": [
      "Nuclear resonance scattering", 
      "Hyperfine interactions", 
      "Lattice dynamics"
    ], 
    "description": "Osmium complexes with osmium in different oxidation states (II, III, IV, VI) have been reported to exhibit antiproliferative activity in cancer cell lines. Herein, we demonstrate unexplored opportunities offered by <sup>187</sup>Os nuclear forward scattering (NFS) and nuclear inelastic scattering (NIS) of synchrotron radiation for characterization of hyperfine interactions and lattice dynamics in a benchmark Os(VI) complex, K\u2082[OsO\u2082(OH)\u2084]. The isomer shift (\ud835\udeff = 3.3(1) mm/s) relative to [Os<sup>IV</sup>Cl\u2086]<sup>2\u2013</sup> and quadrupole splitting (\ud835\udeabE<sub>Q</sub> = 12.0(2) mm/s) were determined with NFS. The Lamb-M\u00f6ssbauer factor (0.80(4)) is estimated, the density of phonon states (DOS) is extracted, and a thermodynamics characterization was carried out using the NIS data combined with first principles calculations. Overall, this study provides evidence that <sup>187</sup>Os nuclear resonance scattering is a reliable technique for the investigation of hyperfine interactions and Os specific vibrations in osmium(VI) species, and is thus applicable for such measurements in osmium complexes of other oxidation states, including those with anticancer activity such as Os(III) and Os(IV).", 
    "is_last": true, 
    "conceptrecid": "2473", 
    "owner": 1156
  }, 
  "revision": 4, 
  "updated": "2024-12-10T14:10:46.979478+00:00", 
  "id": "2474", 
  "created": "2024-12-10T06:54:34.754351+00:00"
}