Double helix PBDT polymer - Submitted manuscript, simulations and other source data


JSON Export

{
  "updated": "2019-02-03T00:00:00+00:00", 
  "id": "94", 
  "created": "2020-05-12T13:52:32.196417+00:00", 
  "revision": 1, 
  "metadata": {
    "description": "We describe a double helical conformation in the densely charged aromatic polyamide poly(2,2\u2019- disulfonyl-4,4\u2019-benzidine terephthalamide) or PBDT. This double helix macromolecule represents one of the most rigid simple molecular structures known, exhibiting an extremely high axial persistence length (~ 1 micrometer). ", 
    "contributors": [
      {
        "givennames": "Louis", 
        "affiliations": [
          "Department of Chemistry and Macromolecules Innovation Institute, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "email": "lmadsen@vt.edu", 
        "familyname": "Madsen"
      }, 
      {
        "givennames": "Ying", 
        "affiliations": [
          "Department of Chemistry and Macromolecules Innovation Institute, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "Wang"
      }, 
      {
        "givennames": "Yadong", 
        "affiliations": [
          "Department of Mechanical Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "He"
      }, 
      {
        "givennames": "Zhou", 
        "affiliations": [
          "Department of Mechanical Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "Yu"
      }, 
      {
        "givennames": "Jianwei", 
        "affiliations": [
          "Department of Aerospace Engineering, Delft University of Technology, Kluyverweg 1, 2629 HS, Delft, The Netherlands"
        ], 
        "familyname": "Gao"
      }, 
      {
        "givennames": "Stephanie", 
        "affiliations": [
          "Van\u2019t Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH, Amsterdam, The Netherlands"
        ], 
        "familyname": "Brinck"
      }, 
      {
        "givennames": "Carla", 
        "affiliations": [
          "Department of Chemistry and Macromolecules Innovation Institute, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "Slebodnick"
      }, 
      {
        "givennames": "Gregory", 
        "affiliations": [
          "Department of Chemistry and Macromolecules Innovation Institute, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "Fahs"
      }, 
      {
        "givennames": "Curt", 
        "affiliations": [
          "Department of Chemistry and Macromolecules Innovation Institute, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "Zanelotti"
      }, 
      {
        "givennames": "Maruti", 
        "affiliations": [
          "Department of Aerospace Engineering, Delft University of Technology, Kluyverweg 1, 2629 HS, Delft, The Netherlands; Department of Applied Physical Sciences, University of North Carolina at Chapel Hill, 121 South Road, Chapel Hill, NC27599-3050, United States"
        ], 
        "familyname": "Hegde"
      }, 
      {
        "givennames": "Robert", 
        "affiliations": [
          "Department of Chemistry and Macromolecules Innovation Institute, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "Moore"
      }, 
      {
        "givennames": "Bernd", 
        "affiliations": [
          "Van\u2019t Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH, Amsterdam, The Netherlands"
        ], 
        "familyname": "Ensing"
      }, 
      {
        "givennames": "Theo", 
        "affiliations": [
          "Department of Aerospace Engineering, Delft University of Technology, Kluyverweg 1, 2629 HS, Delft, The Netherlands; Department of Applied Physical Sciences, University of North Carolina at Chapel Hill, 121 South Road, Chapel Hill, NC27599-3050, United States"
        ], 
        "familyname": "Dingemans"
      }, 
      {
        "givennames": "Rui", 
        "affiliations": [
          "Department of Mechanical Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States"
        ], 
        "familyname": "Qiao"
      }
    ], 
    "mcid": "2019.0005/v1", 
    "edited_by": 98, 
    "keywords": [
      "ionic", 
      "polymer", 
      "nematic", 
      "X-ray", 
      "simulations", 
      "NMR"
    ], 
    "license": "Creative Commons Attribution 4.0 International", 
    "_oai": {
      "id": "oai:materialscloud.org:94"
    }, 
    "status": "published", 
    "doi": "10.24435/materialscloud:2019.0005/v1", 
    "title": "Double helix PBDT polymer - Submitted manuscript, simulations and other source data", 
    "version": 1, 
    "publication_date": "Feb 03, 2019, 00:00:00", 
    "license_addendum": "", 
    "references": [
      {
        "citation": "Y. Wang et al., Nat. Commun. 2019 ", 
        "type": "Journal reference", 
        "url": "", 
        "comment": "", 
        "doi": ""
      }
    ], 
    "id": "94", 
    "owner": 83, 
    "conceptrecid": "93", 
    "_files": [
      {
        "key": "X-ray_pattern.zip", 
        "size": 353530, 
        "checksum": "md5:2e0751a228be93c7964c2733aab211ae", 
        "description": "Here are the two X-ray diffraction patterns for the 20wt% PBDT solution and the H2O background. The matlab script to generate the subtracted image is also included."
      }, 
      {
        "key": "MD_DATA.zip", 
        "size": 2196471, 
        "checksum": "md5:4e7924f5810a5b4abffefa117a8548a8", 
        "description": "1. The coordinates of the snapshots show the two PBDT polyanions at 0 ns, 10 ns,  20 ns, 30 ns, and 120 ns in the MD simulation. The gro file format is the standard coordinate file used in the Gromacs package.\r\n2. The raw data and Matlab codes used to calculate the distances between the sulfonate groups. (Supplementary Figure 4, Figure 5)\r\n3. The raw data and Matlab codes used to calculate the radial density distribution of sodium ions and water molecules around the sulfur atoms of the PBDT's sulfonate groups.(Supplementary Figure 6)"
      }, 
      {
        "key": "data_source_excel_file.xlsx", 
        "size": 29820, 
        "checksum": "md5:f54cf3d922a4ed170d9732fe3b16fb86", 
        "description": "The raw excel data sheets for Figure 2f, 2g and Supplementary Figure 3"
      }, 
      {
        "key": "data_source_figure2f.csv", 
        "size": 2457, 
        "checksum": "md5:ef21d5a1e7905e332aa31ff3b4e33616", 
        "description": "The raw .CSV data sheet for Figure 2f"
      }, 
      {
        "key": "data_source_figure2g.csv", 
        "size": 761, 
        "checksum": "md5:83bc6544f440e3e83430bf9c0c874cea", 
        "description": "The raw .CSV data sheet for Figure 2g"
      }, 
      {
        "key": "data_source_figureS3.csv", 
        "size": 1144, 
        "checksum": "md5:968c330c0c68c6469524132d531e18fe", 
        "description": "The raw .CSV data sheets for Supplementary Figure 3"
      }, 
      {
        "key": "LMadsen_DoubleHelixPolyelectrolyte_Manuscript_9May2018.pdf", 
        "size": 1210190, 
        "checksum": "md5:f38b9b6dfd430c072363b3f25e65dcf9", 
        "description": "Manuscript file"
      }
    ], 
    "is_last": true
  }
}