{"created":"2023-05-15T14:53:33.102434+00:00","id":72926,"links":{},"metadata":{"_buckets":{"deposit":"b887b916-c4ad-4653-af94-957b26c29495"},"_deposit":{"created_by":1,"id":"72926","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"72926"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00072926","sets":["10:28"]},"author_link":["718584","718585","718587","718588","718589","718586","718591","718580","718581","718582","718590","718583"],"item_10005_date_7":{"attribute_name":"発表年月日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2018-09-10","subitem_date_issued_type":"Issued"}]},"item_10005_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"ケルセチンなどのフラボノール類は分子内に複数のフェノール性OH基を有し、優れたラジカル消去活性を示す。しかし、その反応機構には不明な点が残されている。本研究では、フラボノール類のラジカル消去反応に関わる熱力学的パラメーターを密度汎関数法(density functional theory, DFT)で計算し、実験により得られたラジカル消去の二次反応速度定数(k)との相関から反応機構について検討した。\nアセトニトリル中、25℃で、ケルセチンをはじめとする6種類のフラボノールとガルビノキシルラジカルとの反応をユニソクRSP-1000-02NM型ストップトフロー分光測定装置を用いて追跡し、k値を決定した。そのうち4種のフラボノールはk値の対数(log k)がDFT計算(B3LYP/6-31G(d)レベル)で得られたイオン化エネルギーと良好な相関を示したことから、反応の律速段階にフラボノールからガルビノキシルラジカルへの電子移動が関与していることが示唆された。","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12回バイオ関連化学シンポジウム","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":"中西, 郁夫"}],"nameIdentifiers":[{"nameIdentifier":"718580","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"大久保, 敬"}],"nameIdentifiers":[{"nameIdentifier":"718581","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"今井, 耕平"}],"nameIdentifiers":[{"nameIdentifier":"718582","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"松本, 謙一郎"}],"nameIdentifiers":[{"nameIdentifier":"718583","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"小澤, 俊彦"}],"nameIdentifiers":[{"nameIdentifier":"718584","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"濱田, 博喜"}],"nameIdentifiers":[{"nameIdentifier":"718585","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"福原, 潔"}],"nameIdentifiers":[{"nameIdentifier":"718586","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"中西 郁夫","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"718587","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"大久保 敬","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"718588","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"今井 耕平","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"718589","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"松本 謙一郎","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"718590","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"小澤 俊彦","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"718591","nameIdentifierScheme":"WEKO"}]}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"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":"フラボノール類のラジカル消去活性と密度汎関数計算による熱力学的パラメーターとの相関","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"フラボノール類のラジカル消去活性と密度汎関数計算による熱力学的パラメーターとの相関"}]},"item_type_id":"10005","owner":"1","path":["28"],"pubdate":{"attribute_name":"公開日","attribute_value":"2018-09-12"},"publish_date":"2018-09-12","publish_status":"0","recid":"72926","relation_version_is_last":true,"title":["フラボノール類のラジカル消去活性と密度汎関数計算による熱力学的パラメーターとの相関"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T19:34:35.827899+00:00"}