{"created":"2023-05-15T14:59:13.777101+00:00","id":80361,"links":{},"metadata":{"_buckets":{"deposit":"cf70a3f1-b7d1-4c2d-bdd7-e6c59d8cf966"},"_deposit":{"created_by":1,"id":"80361","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"80361"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00080361","sets":["1"]},"author_link":["888263","888267","888260","888271","888261","888264","888266","888269","888265","888270","888262","888268"],"item_8_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2020-08","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"7","bibliographicPageEnd":"539","bibliographicPageStart":"535","bibliographicVolumeNumber":"54","bibliographic_titles":[{"bibliographic_title":"Free Radical Research"}]}]},"item_8_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"The relationship between radical-scavenging rate constant (k) in an aprotic medium and thermodynamic parameters calculated by density functional theory (DFT) was investigated for 7 flavonols, which are myricetin (Myr), quercetin (Que), morin (More), kaempferol (Kae), 2'-methylquercetin (2'-MeQue), 5'-methylquercetin (5'-MeQue), and 2',5'-dimethylquercetin (Me(2)Que).  The k values were determined for the reaction between the flavonols and galvinoxyl radical used as a reactivity model of reactive oxygen species in deaerated acetonitrile at 298 K.  The energy difference values (D(HT), HT: hydrogen transfer) between the flavonoid and the corresponding radicals, which equal to the relative O-H bond dissociation energies of the OH groups in the flavonols and ionization potentials (IP) were calculated by DFT at the B3LYP/6-31++G(d) level with C-PCM salvation model parameterized for acetonitrile.  Among the 7 flavonols used in this study, calculated IP values of 4 flavonols exhibited a linear correlation with log k, suggesting that the radical-scavenging reaction of these flavonols may proceed via an electron transfer as the rate determining step.","subitem_description_type":"Abstract"}]},"item_8_publisher_8":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Taylor & Francis"}]},"item_8_relation_14":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1080/10715762.2020.1813887","subitem_relation_type_select":"DOI"}}]},"item_8_relation_17":{"attribute_name":"関連サイト","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://www.tandfonline.com/doi/abs/10.1080/10715762.2020.1813887","subitem_relation_type_select":"URI"}}]},"item_8_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1071-5762","subitem_source_identifier_type":"ISSN"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"metadata only access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_14cb"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Nakanishi, Ikuo"}],"nameIdentifiers":[{"nameIdentifier":"888260","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ohkubo, Kei"}],"nameIdentifiers":[{"nameIdentifier":"888261","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shoji, Yoshimi"}],"nameIdentifiers":[{"nameIdentifier":"888262","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Fujitaka, Yuya"}],"nameIdentifiers":[{"nameIdentifier":"888263","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shimoda, Kei"}],"nameIdentifiers":[{"nameIdentifier":"888264","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ken-ichiro, Matsumoto"}],"nameIdentifiers":[{"nameIdentifier":"888265","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Fukuhara, Kiyoshi"}],"nameIdentifiers":[{"nameIdentifier":"888266","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Hamada, Hiroki"}],"nameIdentifiers":[{"nameIdentifier":"888267","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Nakanishi, Ikuo","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"888268","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ohkubo, Kei","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"888269","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shoji, Yoshimi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"888270","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Matsumoto, Kenichiro","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"888271","nameIdentifierScheme":"WEKO"}]}]},"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":"Relationship between the Radical-Scavenging Activity of Selected Flavonols and Thermodynamic Parameters Calculated by Density Functional Theory","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Relationship between the Radical-Scavenging Activity of Selected Flavonols and Thermodynamic Parameters Calculated by Density Functional Theory"}]},"item_type_id":"8","owner":"1","path":["1"],"pubdate":{"attribute_name":"公開日","attribute_value":"2020-08-17"},"publish_date":"2020-08-17","publish_status":"0","recid":"80361","relation_version_is_last":true,"title":["Relationship between the Radical-Scavenging Activity of Selected Flavonols and Thermodynamic Parameters Calculated by Density Functional Theory"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T21:32:13.675188+00:00"}