Probing temperature responsivity of microgels and its interplay with a solid surface by super-resolution microscopy and numerical simulations

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{
  "created": "2023-02-10T11:21:44.859643+00:00", 
  "metadata": {
    "references": [
      {
        "citation": "X. Shaulli, R. Rivas-Barbosa, M.-J. Bergman, C. Zhang, N. Gnan, F. Scheffold, and E. Zaccarelli, ACS Nano Article ASAP", 
        "url": "https://pubs.acs.org/doi/10.1021/acsnano.2c07569", 
        "comment": "Paper where the data is discussed", 
        "doi": "10.1021/acsnano.2c07569", 
        "type": "Journal reference"
      }
    ], 
    "mcid": "2023.24", 
    "id": "1650", 
    "is_last": true, 
    "title": "Probing temperature responsivity of microgels and its interplay with a solid surface by super-resolution microscopy and numerical simulations", 
    "publication_date": "Feb 10, 2023, 13:29:10", 
    "edited_by": 576, 
    "_oai": {
      "id": "oai:materialscloud.org:1650"
    }, 
    "version": 1, 
    "description": "Super-resolution microscopy has become a powerful tool to investigate the internal structure of complex colloidal and polymeric systems, such as microgels, at the nanometer scale. An interesting feature of this method is the possibility of monitoring microgel response to temperature changes in situ. However, when performing advanced microscopy experiments, interactions between the particle and the environment can be important. Often microgels are deposited on a substrate, since they have to remain still for several minutes during the experiment. In the publication associated with this data, we use direct stochastic optical reconstruction microscopy (dSTORM) and advanced coarse-grained molecular dynamics simulations to investigate how individual microgels anchored on hydrophilic and hydrophobic surfaces undergo their volume phase transition with temperature. We find that, in the presence of a hydrophilic substrate, the structure of the microgel is unperturbed and the resulting density profiles quantitatively agree with simulations performed under bulk conditions. Instead, when a hydrophobic surface is used, the microgel spreads at the interface and an interesting competition between the two hydrophobic strengths, monomer\u2013monomer vs monomer\u2013surface, comes into play at high temperatures. \nThe data deposited on the Materials Cloud Archive contains the initial microgel configuration in LAMMPS read format, the calculated radii and the density profiles under the different temperatures and surfaces.", 
    "status": "published", 
    "license_addendum": null, 
    "keywords": [
      "molecular dynamics", 
      "microgels", 
      "volume phase transition", 
      "H2020", 
      "CINECA-ISCRA", 
      "Experimental"
    ], 
    "license": "Creative Commons Attribution 4.0 International", 
    "owner": 944, 
    "contributors": [
      {
        "affiliations": [
          "Department of Physics, University of Fribourg, Chemin du Mus\u00e9e 3, 1700Fribourg, Switzerland"
        ], 
        "familyname": "Shaulli", 
        "givennames": "Xhorxhina"
      }, 
      {
        "affiliations": [
          "Department of Physics, Sapienza University of Rome, Piazzale Aldo Moro 2, 00185Roma, Italy"
        ], 
        "familyname": "Rivas-Barbosa", 
        "givennames": "Rodrigo"
      }, 
      {
        "affiliations": [
          "Department of Physics, University of Fribourg, Chemin du Mus\u00e9e 3, 1700Fribourg, Switzerland"
        ], 
        "familyname": "Bergman", 
        "givennames": "Maxime J."
      }, 
      {
        "affiliations": [
          "Department of Physics, University of Fribourg, Chemin du Mus\u00e9e 3, 1700Fribourg, Switzerland"
        ], 
        "familyname": "Zhang", 
        "givennames": "Chi"
      }, 
      {
        "affiliations": [
          "CNR Institute of Complex Systems, Uos Sapienza, Piazzale Aldo Moro 2, 00185Roma, Italy", 
          "Department of Physics, Sapienza University of Rome, Piazzale Aldo Moro 2, 00185Roma, Italy"
        ], 
        "familyname": "Gnan", 
        "givennames": "Nicoletta"
      }, 
      {
        "affiliations": [
          "Department of Physics, University of Fribourg, Chemin du Mus\u00e9e 3, 1700Fribourg, Switzerland"
        ], 
        "familyname": "Scheffold", 
        "givennames": "Frank"
      }, 
      {
        "affiliations": [
          "CNR Institute of Complex Systems, Uos Sapienza, Piazzale Aldo Moro 2, 00185Roma, Italy", 
          "Department of Physics, Sapienza University of Rome, Piazzale Aldo Moro 2, 00185Roma, Italy"
        ], 
        "familyname": "Zaccarelli", 
        "email": "emanuela.zaccarelli@cnr.it", 
        "givennames": "Emanuela"
      }
    ], 
    "conceptrecid": "1649", 
    "doi": "10.24435/materialscloud:18-kv", 
    "_files": [
      {
        "size": 1570311, 
        "key": "simulation_data.zip", 
        "description": "Initial microgel configuration in lammps read format. Radii and density profiles in \"dat\" format", 
        "checksum": "md5:139051f154960efd9ca8c7e27fa4240e"
      }
    ]
  }, 
  "id": "1650", 
  "updated": "2023-02-10T12:29:10.571874+00:00", 
  "revision": 2
}