{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T15:25:10Z","timestamp":1786980310548,"version":"build-2736575974"},"reference-count":52,"publisher":"American Chemical Society (ACS)","issue":"22","license":[{"start":{"date-parts":[[2022,5,23]],"date-time":"2022-05-23T00:00:00Z","timestamp":1653264000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2022,6,7]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Parkinson\u2019s disease is thought to be caused by aggregation of the intrinsically disordered protein, \u03b1-synuclein. Two amyloidogenic variants, A30P, and E46K familial mutants were investigated by wide-line 1H NMR spectrometry as a completion of our earlier work on wild-type and A53T \u03b1-synuclein (Bokor, M. et al. WT and A53T \u03b1-synuclein systems: melting diagram and its new interpretation. Int. J. Mol. Sci.2020, 21, 3997.). A monolayer of mobile water molecules hydrates A30P \u03b1-synuclein at the lowest potential barriers (temperatures), while E46K \u03b1-synuclein has here third as much mobile hydration, insufficient for functionality. According to wide-line 1H NMR results and secondary structure predictions, E46K \u03b1-synuclein is more compact than the A30P variant and they are more compact than the wild type (WT) and A53T variants. Linear hydration vs potential barrier sections of A30P \u03b1-synuclein shows one and E46K shows two slopes. The different slopes of the latter between potential barriers Ea,1 and Ea,2 reflect a change in water\u2013protein interactions. The 31\u201332% homogeneous potential barrier distribution of the protein\u2013water bonds refers to a non-negligible amount of secondary structures in all four \u03b1-synuclein variants. The secondary structures detected by wide-line 1H NMR are solvent-exposed \u03b1-helices, which are predicted by secondary structure models. \u03b2-sheets are only minor components of the protein structures as three- and eight-state predicted secondary structures are dominated by \u03b1-helices and coils.<\/jats:p>","DOI":"10.1021\/acsomega.2c00477","type":"journal-article","created":{"date-parts":[[2022,5,23]],"date-time":"2022-05-23T12:02:41Z","timestamp":1653307361000},"page":"18323-18330","source":"Crossref","is-referenced-by-count":3,"title":["Wide-Line NMR Melting Diagrams, Their Thermodynamic\nInterpretation, and Secondary Structure Predictions for A30P and E46K\n\u03b1\u2011Synuclein"],"prefix":"10.1021","volume":"7","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8883-1316","authenticated-orcid":true,"given":"Mo\u0301nika","family":"Bokor","sequence":"first","affiliation":[{"name":"Wigner Research Centre for Physics , , ,","place":["Budapest, Hungary, 1121"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eszter","family":"Ha\u0301zy","sequence":"additional","affiliation":[{"name":"Research Centre for Natural Sciences , , ,","place":["Budapest, Hungary, 1117"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"A\u0301gnes","family":"Tantos","sequence":"additional","affiliation":[{"name":"Research Centre for Natural Sciences , , ,","place":["Budapest, Hungary, 1117"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2022,5,23]]},"reference":[{"key":"2026081710170712900_cit1","doi-asserted-by":"publisher","DOI":"10.1155\/2010\/568068","article-title":"The mysterious\nunfoldomer: structureless, underappreciated, yet vital part of any\ngiven proteome","author":"Uversky","year":"2010","journal-title":"Proteomics"},{"key":"2026081710170712900_cit2","doi-asserted-by":"publisher","first-page":"11","DOI":"10.1093\/jb\/mvx056","article-title":"Common molecular pathogenesis\nof disease-related intrinsically\ndisordered proteins revealed by NMR analysis","volume":"163","author":"Shigemitsu","year":"2018","journal-title":"J. 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Neurobiol."},{"key":"2026081710170712900_cit7","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2021.666585","article-title":"\u03b1-Synuclein:\nAn all-inclusive trip around its structure, influencing factors and\napplied techniques","volume":"9","author":"Bisi","year":"2021","journal-title":"Front. Chem."},{"key":"2026081710170712900_cit8","doi-asserted-by":"publisher","first-page":"261","DOI":"10.1016\/j.bbadis.2011.10.002","article-title":"\u03b1-Synuclein\nmisfolding and\nParkinson\u2019s disease","volume":"1822","author":"Breydo","year":"2012","journal-title":"Biochim. Biophys.\nActa, Mol. Basis Dis."},{"key":"2026081710170712900_cit9","doi-asserted-by":"publisher","DOI":"10.1038\/srep16696","article-title":"Single-molecule\nFRET studies on \u03b1-synuclein oligomerization of Parkinson\u2019s\ndisease genetically related mutants","volume":"5","author":"Tosatto","year":"2015","journal-title":"Sci. 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Biol."},{"key":"2026081710170712900_cit52","doi-asserted-by":"publisher","first-page":"2169","DOI":"10.1002\/prot.24107","article-title":"Distinct phases\nof free \u03b1-synuclein-a\nMonte Carlo study","volume":"80","author":"Jo\u0301nsson","year":"2012","journal-title":"Proteins"}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.2c00477","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/7\/22\/18323\/4222046\/ao2c00477.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/7\/22\/18323\/4222046\/ao2c00477.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T14:31:47Z","timestamp":1786977107000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/acsodf\/article\/7\/22\/18323\/417994\/Wide-Line-NMR-Melting-Diagrams-Their-Thermodynamic"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,5,23]]},"references-count":52,"journal-issue":{"issue":"22","published-online":{"date-parts":[[2022,5,23]]},"published-print":{"date-parts":[[2022,6,7]]}},"URL":"https:\/\/doi.org\/10.1021\/acsomega.2c00477","relation":{},"ISSN":["2470-1343"],"issn-type":[{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,5,23]]}}}