{
  "annotation_id": "73586a2c-04a5-4b7c-9fb8-1f03400cbf29",
  "date_created": "2026-03-02T18:00:46.807000Z",
  "date_modified": "2026-03-02T18:00:46.807000Z",
  "file_hash": "fb78898af9f8cf9b83e06a5ddb420c1c35a70c4f1e1e2acf38e575c2e68f7e56",
  "private": false,
  "record": {
    "abstract": "Molecular machines described in this paper are meant to be such molecular\nsystems that make use of conformational mobility (i.e. hindered rotation around\nchemical bonds and molecular construction deformations with formation and\nbreakage of nonvalent bonds). Components of molecular machines move mainly by\nmeans of restricted diffusion. As an example of molecular machines of a\nnonbiological nature catenanes (compounds with two interlocked molecular\nrings)can be proposed. Thus, for example, model catenane\n((2)-(cyclo-bis(paraquat-p-phenylene))-(1(2,6)-tetrathiafulvalena-16(1,5)naphta\nlena-3, 6, 9, 12, 15, 17, 20, 23, 26, 29-decaoxatnacontaphane)-catenane)\nchanges its redox status when an electric field is applied, and rotation of the\nrings takes place. It occurs with fixation at certain moments of the influence.\nTo find out characteristic properties of rings movements under various external\nconditions molecular dynamics simulation was carried out. Three cationic forms\nof the catenane were first subjected to geometrical optimization and quantum\nchemical calculation.",
    "arxiv_id": "physics/0310088",
    "authors": [
      "Ye. V. Tourleigh",
      "K. V. Shaitan"
    ],
    "categories": [
      "physics.chem-ph",
      "physics.comp-ph"
    ],
    "journal_ref": "Defect and Diffusion Forum, vol. 237-240 (2005), 1174-1181",
    "title": "Molecular dynamics study of molecular mobility in catenanes",
    "url": "https://arxiv.org/abs/physics/0310088"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "f71582da-672c-45a4-a066-8b570f47592a",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}