{"created":"2023-05-15T14:46:35.179053+00:00","id":63920,"links":{},"metadata":{"_buckets":{"deposit":"6955588d-622e-432e-a585-4ff1fdfe9876"},"_deposit":{"created_by":1,"id":"63920","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"63920"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00063920","sets":["10:29"]},"author_link":["630674","630679","630673","630670","630665","630667","630671","630672","630666","630675","630676","630668","630677","630669","630678"],"item_10005_date_7":{"attribute_name":"発表年月日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2010-06-04","subitem_date_issued_type":"Issued"}]},"item_10005_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"我々はこれまで、ビタミンEやカテキン等のフェノール性天然抗酸化物質の構造活性相関を明らかにするため、種々の抗酸化物質のフリーラジカル消去反応を速度論的に検討してきた。その結果、抗酸化物質に対する密度汎関数(DFT: Density Functional Theory)計算で得られるフェノール性水酸基のO-H結合解離エネルギーまたはイオン化エネルギーが低いほど、フリーラジカル消去の二次反応速度定数が大きくなることがわかった。そこで本研究では、DFT計算に基づいてO-H結合解離エネルギーまたはイオン化エネルギーが低い新規抗酸化物質分子を設計および合成し、そのフリーラジカル消去活性を評価した。\nビタミンEの基本骨格である6-クロマノールのベンゼン環に種々の置換基を導入した分子についてDFT計算(B3LYP/6-31(d))を行い、O-H結合解離エネルギーまたはイオン化エネルギーを決定した。最も低いイオン化エネルギーが得られた8-NH2誘導体を合成し、アセトニトリル中、25℃で、ガルビノキシルラジカル消去の二次反応速度定数を決定した。この値はビタミンE (α-トコフェロール)の対応する二次反応速度定数よりも約4倍大きく、8-NH2誘導体が強力な抗酸化物質として作用す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10回AOB研究会","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":"630665","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"稲見, 圭子"}],"nameIdentifiers":[{"nameIdentifier":"630666","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"大久保, 敬"}],"nameIdentifiers":[{"nameIdentifier":"630667","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"川島, 知憲"}],"nameIdentifiers":[{"nameIdentifier":"630668","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"松本, 謙一郎"}],"nameIdentifiers":[{"nameIdentifier":"630669","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"福原, 潔"}],"nameIdentifiers":[{"nameIdentifier":"630670","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"奥田, 晴宏"}],"nameIdentifiers":[{"nameIdentifier":"630671","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"望月, 正隆"}],"nameIdentifiers":[{"nameIdentifier":"630672","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"伊古田, 暢夫"}],"nameIdentifiers":[{"nameIdentifier":"630673","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"福住, 俊一"}],"nameIdentifiers":[{"nameIdentifier":"630674","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"安西, 和紀"}],"nameIdentifiers":[{"nameIdentifier":"630675","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"小澤, 俊彦"}],"nameIdentifiers":[{"nameIdentifier":"630676","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"中西 郁夫","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"630677","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"川島 知憲","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"630678","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"松本 謙一郎","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"630679","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":"分子軌道計算による新規フェノール性抗酸化物質の開発","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"分子軌道計算による新規フェノール性抗酸化物質の開発"}]},"item_type_id":"10005","owner":"1","path":["29"],"pubdate":{"attribute_name":"公開日","attribute_value":"2010-06-07"},"publish_date":"2010-06-07","publish_status":"0","recid":"63920","relation_version_is_last":true,"title":["分子軌道計算による新規フェノール性抗酸化物質の開発"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T21:17:30.258129+00:00"}