{"created":"2023-07-21T00:40:15.342669+00:00","id":2006754,"links":{},"metadata":{"_buckets":{"deposit":"cd7c0d5d-c190-462b-aae4-6b3983dea5ab"},"_deposit":{"created_by":17,"id":"2006754","owner":"17","owners":[17],"pid":{"revision_id":0,"type":"depid","value":"2006754"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:02006754","sets":["336:695:696"]},"author_link":[],"control_number":"2006754","item_1615768549627":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_1629683748249":{"attribute_name":"日付","attribute_value_mlt":[{"subitem_date_issued_datetime":"2024-07-18","subitem_date_issued_type":"Available"}]},"item_9_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2023-07-27","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"29","bibliographicPageEnd":"6448","bibliographicPageStart":"6441","bibliographicVolumeNumber":"127","bibliographic_titles":[{"bibliographic_title":"The Journal of Physical Chemistry B","bibliographic_titleLang":"en"}]}]},"item_9_description_4":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"The high-spin S2 state of the photosynthetic oxygen-evolving cluster Mn4CaO5, corresponding to the g = 4.1 signal for X-band electron paramagnetic resonance (EPR), was investigated using Q-band pulsed EPR, which detected a main peak at g = 3.10 and satellite peaks at 5.25, 4.55, and 2.80. We evaluated the spin state as the zero-field splitting of D = 0.465 cm^–1 and E/D = 0.245 with S = 5/2. The temperature dependence of the T1 relaxation time revealed that the excited-state energy was 28.7 cm^–1 higher than that of the S = 5/2 ground state. By comparing present quantum mechanical (QM) calculation models, a closed-cubane structure with the protonation state of two oxygens, W1 (= OH^–) and W2 (= H2O), was the most probable structure for the S = 5/2 state. The three-pulse electron spin-echo envelope modulation (ESEEM) detected the nuclear signal, which was assigned to nitrogen as His332 ligated to the Mn1 ion. The obtained hyperfine constant for the nitrogen signal was significantly reduced from that in the S = 1/2 low-spin state. These results indicate that the S = 5/2 spin state arises from the closed-cubane structure.","subitem_description_language":"en","subitem_description_type":"Abstract"},{"subitem_description":"Published online18 July 2023","subitem_description_language":"en","subitem_description_type":"Other"}]},"item_9_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"ACS Publications","subitem_publisher_language":"en"}]},"item_9_relation_43":{"attribute_name":"関連情報","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1021/acs.jpcb.3c01656","subitem_relation_type_select":"DOI"}}]},"item_9_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"This document is the Accepted Manuscript version of a Published Work that appeared in final form in [The Journal of Physical Chemistry B], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-KGDFTXGJXXBCMXWCRPQY].”","subitem_rights_language":"en"}]},"item_9_source_id_7":{"attribute_name":"収録物識別子","attribute_value_mlt":[{"subitem_source_identifier":"1520-6106","subitem_source_identifier_type":"PISSN"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"embargoed access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_f1cf"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Kosaki, Shinya","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Mino, Hiroyuki","creatorNameLang":"en"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2024-07-18"}],"displaytype":"detail","filename":"manuscript_final.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/2006754/files/manuscript_final.pdf"},"version_id":"cc392bda-f06f-44a9-8048-9ff23f29fb01"},{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2024-07-18"}],"displaytype":"detail","filename":"supporting_revise.pdf","filesize":[{"value":"600 KB"}],"format":"application/pdf","mimetype":"application/pdf","url":{"objectType":"dataset","url":"https://nagoya.repo.nii.ac.jp/record/2006754/files/supporting_revise.pdf"},"version_id":"20075474-2365-4492-a914-d97ad07e511b"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Molecular Structure Related to an S = 5/2 High-Spin S2 State Manganese Cluster of Photosystem II Investigated by Q-Band Pulse EPR Spectroscopy","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Molecular Structure Related to an S = 5/2 High-Spin S2 State Manganese Cluster of Photosystem II Investigated by Q-Band Pulse EPR Spectroscopy","subitem_title_language":"en"}]},"item_type_id":"40001","owner":"17","path":["696"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2023-07-21"},"publish_date":"2023-07-21","publish_status":"0","recid":"2006754","relation_version_is_last":true,"title":["Molecular Structure Related to an S = 5/2 High-Spin S2 State Manganese Cluster of Photosystem II Investigated by Q-Band Pulse EPR Spectroscopy"],"weko_creator_id":"17","weko_shared_id":-1},"updated":"2023-07-28T00:11:08.086427+00:00"}