{"entity": "researcher", "timestamp": "2026-10-05T20:21:47.207Z", "family": "Torodii", "given": "Daria", "initials": "D", "orcid": "0000-0002-5436-9503", "affiliations": ["Institut des Sciences et Ing\u00e9nierie Chimiques, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland. lyndon.emsley@epfl.ch."], "links": {"self": {"href": "https://publications.scilifelab.se/researcher/39e7638bc1224e9bbeecae7cc64c482f.json"}, "display": {"href": "https://publications.scilifelab.se/researcher/39e7638bc1224e9bbeecae7cc64c482f"}}, "publications": [{"entity": "publication", "iuid": "d7319dfddc184dd8b18c231f0797e622", "links": {"self": {"href": "https://publications.scilifelab.se/publication/d7319dfddc184dd8b18c231f0797e622.json"}, "display": {"href": "https://publications.scilifelab.se/publication/d7319dfddc184dd8b18c231f0797e622"}}, "title": "Three-Dimensional Atomic-Level Structure of an Amorphous Glucagon-Like Peptide-1 Receptor Agonist", "authors": [{"family": "Torodii", "given": "Daria", "initials": "D", "orcid": "0000-0002-5436-9503", "researcher": {"href": "https://publications.scilifelab.se/researcher/39e7638bc1224e9bbeecae7cc64c482f.json"}}, {"family": "Cordova", "given": "Manuel", "initials": "M"}, {"family": "Holmes", "given": "Jacob B", "initials": "JB"}, {"family": "Moutzouri", "given": "Pinelopi", "initials": "P"}, {"family": "Casalini", "given": "Tommaso", "initials": "T", "orcid": "0000-0002-8808-9868", "researcher": {"href": "https://publications.scilifelab.se/researcher/9ea0d278cfa74f3787ab03aae9241cbc.json"}}, {"family": "Nilsson Lill", "given": "Sten O", "initials": "SO"}, {"family": "Pinon", "given": "Arthur C", "initials": "AC"}, {"family": "Knee", "given": "Christopher S", "initials": "CS"}, {"family": "Svensk Ankarberg", "given": "Anna", "initials": "A"}, {"family": "Putra", "given": "Okky Dwichandra", "initials": "OD", "orcid": "0000-0002-6968-1858", "researcher": {"href": "https://publications.scilifelab.se/researcher/6f22d226c3664a9f81990d2a235e0e76.json"}}, {"family": "Schantz", "given": "Staffan", "initials": "S"}, {"family": "Emsley", "given": "Lyndon", "initials": "L", "orcid": "0000-0003-1360-2572", "researcher": {"href": "https://publications.scilifelab.se/researcher/d035a7c9c3c34fbda5feaa334a550910.json"}}], "type": "journal-article", "published": "2025-05-21", "journal": {"title": "J. Am. Chem. Soc.", "issn": "0002-7863", "volume": "147", "issue": "20", "pages": "17077-17087", "issn-l": null}, "abstract": null, "doi": "10.1021/jacs.5c01925", "pmid": null, "labels": {"Swedish NMR Centre": "Collaborative"}, "xrefs": [], "notes": [], "created": "2025-11-27T08:01:44.418Z", "modified": "2025-11-27T08:01:44.824Z"}, {"entity": "publication", "iuid": "fb8db9dbd40b48c8bdcd45796c224b3b", "links": {"self": {"href": "https://publications.scilifelab.se/publication/fb8db9dbd40b48c8bdcd45796c224b3b.json"}, "display": {"href": "https://publications.scilifelab.se/publication/fb8db9dbd40b48c8bdcd45796c224b3b"}}, "title": "Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning.", "authors": [{"family": "Torodii", "given": "Daria", "initials": "D", "orcid": "0000-0002-5436-9503", "researcher": {"href": "https://publications.scilifelab.se/researcher/39e7638bc1224e9bbeecae7cc64c482f.json"}}, {"family": "Holmes", "given": "Jacob B", "initials": "JB", "orcid": "0000-0003-0137-8382", "researcher": {"href": "https://publications.scilifelab.se/researcher/b1b84a958a2044edac919b0fdc65a5ee.json"}}, {"family": "Moutzouri", "given": "Pinelopi", "initials": "P", "orcid": "0000-0002-5279-9913", "researcher": {"href": "https://publications.scilifelab.se/researcher/181474f0fa464ff393cef32c9022d9a5.json"}}, {"family": "Nilsson Lill", "given": "Sten O", "initials": "SO", "orcid": "0000-0003-4818-8084", "researcher": {"href": "https://publications.scilifelab.se/researcher/cfd56684d22a4c329b98cb1d352e9e1b.json"}}, {"family": "Cordova", "given": "Manuel", "initials": "M", "orcid": "0000-0002-8722-6541", "researcher": {"href": "https://publications.scilifelab.se/researcher/edb1d673895f4e54a2c6c15c4e632c53.json"}}, {"family": "Pinon", "given": "Arthur C", "initials": "AC"}, {"family": "Grohe", "given": "Kristof", "initials": "K", "orcid": "0000-0002-3388-4741", "researcher": {"href": "https://publications.scilifelab.se/researcher/0b0bb68ef1204e4d99fd4acee3fe5471.json"}}, {"family": "Wegner", "given": "Sebastian", "initials": "S", "orcid": "0000-0003-4556-1920", "researcher": {"href": "https://publications.scilifelab.se/researcher/b2f3c395447c4a20b9a2bcf6e2defa60.json"}}, {"family": "Putra", "given": "Okky Dwichandra", "initials": "OD", "orcid": "0000-0002-6968-1858", "researcher": {"href": "https://publications.scilifelab.se/researcher/6f22d226c3664a9f81990d2a235e0e76.json"}}, {"family": "Norberg", "given": "Stefan", "initials": "S"}, {"family": "Welinder", "given": "Anette", "initials": "A"}, {"family": "Schantz", "given": "Staffan", "initials": "S", "orcid": "0000-0002-0136-4856", "researcher": {"href": "https://publications.scilifelab.se/researcher/d80e21a364f4412db2e0b837853e870c.json"}}, {"family": "Emsley", "given": "Lyndon", "initials": "L", "orcid": "0000-0003-1360-2572", "researcher": {"href": "https://publications.scilifelab.se/researcher/d035a7c9c3c34fbda5feaa334a550910.json"}}], "type": "journal article", "published": "2024-09-19", "journal": {"title": "Faraday Discuss.", "issn": "1364-5498", "issn-l": "1359-6640"}, "abstract": "The recent development of ultra-fast magic-angle spinning (MAS) (>100 kHz) provides new opportunities for structural characterization in solids. Here, we use NMR crystallography to validate the structure of verinurad, a microcrystalline active pharmaceutical ingredient. To do this, we take advantage of 1H resolution improvement at ultra-fast MAS and use solely 1H-detected experiments and machine learning methods to assign all the experimental proton and carbon chemical shifts. This framework provides a new tool for elucidating chemical information from crystalline samples with limited sample volume and yields remarkably faster acquisition times compared to 13C-detected experiments, without the need to employ dynamic nuclear polarization.", "doi": "10.1039/d4fd00076e", "pmid": "39297322", "labels": {"Swedish NMR Centre": "Technology development"}, "xrefs": [{"db": "pmc", "key": "PMC11411500"}], "notes": [], "created": "2024-11-28T14:37:20.219Z", "modified": "2025-10-17T13:03:52.733Z"}]}