{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126569943",
  "ord_data_issue": null,
  "title": "Enantioselective High-Throughput Assay Showcased for the Identification of (R)- as well as (S)-Selective Unspecific Peroxygenases for C−H Oxidation",
  "doi": "10.1002/anie.202312721",
  "journal": "ACIE",
  "publication_date": "2023-09-24",
  "authors": [
    "Alexander Swoboda",
    "Lukas Johannes Pfeifenberger",
    "Zerina Duhović",
    "Moritz Bürgler",
    "Isabel Oroz‐Guinea",
    "Klara Bangert",
    "Florian Weißensteiner",
    "Lena Parigger",
    "Katharina Ebner",
    "Anton Glieder",
    "Wolfgang Kroutil"
  ],
  "article_open_access": {
    "status": "hybrid",
    "license": "cc-by"
  },
  "dataset_size_estimate": 44,
  "experiment_type": "MTE",
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "unknown",
  "smiles_in_source": "unknown",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1002/anie.202312721",
      "what": "Article and Wiley-hosted Supporting Information (expected location of per-enzyme ee/activity data)",
      "license": "Article CC-BY 4.0 per Crossref; SI license not verified"
    },
    {
      "url": "https://api.datacite.org/dois?query=peroxygenase",
      "what": "DataCite/Zenodo search for a deposited dataset for this paper; none found",
      "license": "n/a"
    }
  ],
  "notes": "Source: Swoboda et al., Angew. Chem. Int. Ed. 2023, doi:10.1002/anie.202312721 (open access, CC-BY 4.0 per Crossref; the article license does not necessarily cover the SI). Roughly 44 reactions of medium-throughput experimentation: fungal unspecific peroxygenases (UPOs) screened for enantioselective C-H hydroxylation to sec-alcohols. Enantioselectivity was estimated with a spectrophotometric ADH/NAD(P)H coupled assay that the authors report predicts ee within about ±11%. Expected data location is the article and its Wiley SI; no separate data deposit (Zenodo/figshare/DataCite) was found. Pitfalls: each enzyme (wild-type UPO) must be identified by name and accession or sequence, not SMILES. Keep assay-predicted ee separate from chromatographically measured ee and conversion, and record the ADH/cofactor assay components as analysis details, not reaction inputs.",
  "verification_caveats": "Biocatalytic reactions whose catalysts are enzymes (no SMILES; need protein identifiers). Outcomes may mix assay-predicted ee (plate-reader, ±11%) with GC/HPLC-validated ee, which need distinct measurement types. Presence and format of the tabulated SI data are unverified."
}