{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:ZL7R3SXXFGIJCYORDDTEIZPYVN","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"565fd86b9396c97017c25b9735ebae0a90516c6319dfbdf8fa668e167b6f65e4","cross_cats_sorted":["cond-mat.soft"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-07-11T03:28:52Z","title_canon_sha256":"7d9f7b3311b48f028375b0d4efa82508c89c3b7789fa7741be923f989ab090ba"},"schema_version":"1.0","source":{"id":"1807.03941","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1807.03941","created_at":"2026-05-18T00:10:53Z"},{"alias_kind":"arxiv_version","alias_value":"1807.03941v2","created_at":"2026-05-18T00:10:53Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1807.03941","created_at":"2026-05-18T00:10:53Z"},{"alias_kind":"pith_short_12","alias_value":"ZL7R3SXXFGIJ","created_at":"2026-05-18T12:33:07Z"},{"alias_kind":"pith_short_16","alias_value":"ZL7R3SXXFGIJCYOR","created_at":"2026-05-18T12:33:07Z"},{"alias_kind":"pith_short_8","alias_value":"ZL7R3SXX","created_at":"2026-05-18T12:33:07Z"}],"graph_snapshots":[{"event_id":"sha256:ad09c5c5cd48235cb8d15bcf4118a0653024e9103b6b01b41ed2b6b0635e334d","target":"graph","created_at":"2026-05-18T00:10:53Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"Conformational flexibility of molecules involved in crystal growth and dissolution is rarely investigated in detail, and usually considered to be negligible in the formulation of mesoscopic models of crystal growth. In this work we set out to investigate the conformational isomerism of ibuprofen as it approaches and is incorporated in the morphologically dominant {100} crystal face, in a range of different solvents - water, 1-butanol, toluene, cyclohexanone, cyclohexane, acetonitrile and trichloromethane. To this end we combine extensive molecular dynamics and well-tempered metadynamics simula","authors_text":"Geoffrey P. F. Wood, Ivan Marziano, Matteo Salvalaglio, Veselina Marinova","cross_cats":["cond-mat.soft"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-07-11T03:28:52Z","title":"Dynamics and thermodynamics of Ibuprofen conformational isomerism at the crystal/solution interface"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1807.03941","kind":"arxiv","version":2},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:8c90b9303623a2bc1f7f67f45ff71cf0524ae9ec7c29701aafb04a5f855d884a","target":"record","created_at":"2026-05-18T00:10:53Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"565fd86b9396c97017c25b9735ebae0a90516c6319dfbdf8fa668e167b6f65e4","cross_cats_sorted":["cond-mat.soft"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-07-11T03:28:52Z","title_canon_sha256":"7d9f7b3311b48f028375b0d4efa82508c89c3b7789fa7741be923f989ab090ba"},"schema_version":"1.0","source":{"id":"1807.03941","kind":"arxiv","version":2}},"canonical_sha256":"caff1dcaf729909161d118e64465f8ab58317821f0cf7e9d671f75472c03ec0f","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"caff1dcaf729909161d118e64465f8ab58317821f0cf7e9d671f75472c03ec0f","first_computed_at":"2026-05-18T00:10:53.995305Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:10:53.995305Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"PlO+2DuxeVYOIPAg9s8mJgYHlEoLF75+W35WGJCL9yy6Hp3lvTIqwKC5gH6MxoUAw1tC6gvXq9JciWT4jSNoBg==","signature_status":"signed_v1","signed_at":"2026-05-18T00:10:53.996119Z","signed_message":"canonical_sha256_bytes"},"source_id":"1807.03941","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:8c90b9303623a2bc1f7f67f45ff71cf0524ae9ec7c29701aafb04a5f855d884a","sha256:ad09c5c5cd48235cb8d15bcf4118a0653024e9103b6b01b41ed2b6b0635e334d"],"state_sha256":"a16e8b8df91dc2f7c533d069b620740101c468b2317f16972af0b3c09d4c734e"}