{"created":"2023-05-15T14:51:42.406832+00:00","id":70683,"links":{},"metadata":{"_buckets":{"deposit":"631c0c99-bee2-4164-9b4e-ac9bd2d9b7d0"},"_deposit":{"created_by":1,"id":"70683","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"70683"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00070683","sets":["10:28"]},"author_link":["694297","694293","694298","694299","694296","694295","694292","694291","694294","694300","694288","694290","694289"],"item_10005_date_7":{"attribute_name":"発表年月日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2012-02-06","subitem_date_issued_type":"Issued"}]},"item_10005_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Since phenolic antioxidants, such as vitamin E (alpha-tocopherol) and catechins, are known to show both antioxidative and prooxidative activities under certain conditions, fine-tuning of such activities is of considerable importance to control oxidative stress induced by reactive oxygen species (ROS) in biological redox systems.  However, very little is known about the structure-activity relationship of the phenolic antioxidants.  In this study, we demonstrate that density functional theory (DFT) calculations of O-H bond dissociation enthalpies and ionization potentials (IP) of phenolic antioxidants are a powerful tool to expect their radical-scavenging activity.  In fact, the logarithms of the second-order rate constants (k) for the scavenging reaction of galvinoxyl radical (GO) as an ROS model by various substituted 6-chromanols, which were synthesized as vitamin E analogues, in deaerated acetonitirile are found to correlate linearly with their IP values calculated by DFT.  Among the derivatives, 8-amino-2,2-dimethylchroman-6-ol having the smallest IP value showed the highest GO-scavenging activity.  Thus, the introduction of substituents, which lower the IP value, to the benzene ring of 6-chromanol results in the enhancement of the antioxidative activity of 6-chromanol derivatives.","subitem_description_type":"Abstract"}]},"item_10005_description_6":{"attribute_name":"会議概要（会議名, 開催地, 会期, 主催者等）","attribute_value_mlt":[{"subitem_description":"第20回日本学術振興会先端研究拠点事業セミナー：International Redox Core Symposium","subitem_description_type":"Other"}]},"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":"694288","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Inami, Keiko"}],"nameIdentifiers":[{"nameIdentifier":"694289","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ohkubo, Kei"}],"nameIdentifiers":[{"nameIdentifier":"694290","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Kawashima, Tomonori"}],"nameIdentifiers":[{"nameIdentifier":"694291","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Matsumoto, Kenichiro"}],"nameIdentifiers":[{"nameIdentifier":"694292","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Fukuhara, Kiyoshi"}],"nameIdentifiers":[{"nameIdentifier":"694293","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Mochizuki, Masataka"}],"nameIdentifiers":[{"nameIdentifier":"694294","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Fukuzumi, Shunichi"}],"nameIdentifiers":[{"nameIdentifier":"694295","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Anzai, Kazunori"}],"nameIdentifiers":[{"nameIdentifier":"694296","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ozawa, Toshihiko"}],"nameIdentifiers":[{"nameIdentifier":"694297","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"中西 郁夫","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"694298","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"川島 知憲","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"694299","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"松本 謙一郎","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"694300","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":"conference object","resourceuri":"http://purl.org/coar/resource_type/c_c94f"}]},"item_title":"Fine-Tuning of Redox Properties of Substituted 6-Chromanols as Vitamin E Analogues Based on Density Functional Theory Calculations","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Fine-Tuning of Redox Properties of Substituted 6-Chromanols as Vitamin E Analogues Based on Density Functional Theory Calculations"}]},"item_type_id":"10005","owner":"1","path":["28"],"pubdate":{"attribute_name":"公開日","attribute_value":"2012-02-20"},"publish_date":"2012-02-20","publish_status":"0","recid":"70683","relation_version_is_last":true,"title":["Fine-Tuning of Redox Properties of Substituted 6-Chromanols as Vitamin E Analogues Based on Density Functional Theory Calculations"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T20:00:05.206335+00:00"}