{"created":"2023-06-19T12:07:28.304509+00:00","id":13500,"links":{},"metadata":{"_buckets":{"deposit":"6e7eda59-fd8f-4768-8c5c-1b9b540aa753"},"_deposit":{"created_by":3,"id":"13500","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"13500"},"status":"published"},"_oai":{"id":"oai:kokushikan.repo.nii.ac.jp:00013500","sets":["928:58:1110"]},"author_link":["21147","21150","21152","21148","21151","21149"],"item_10002_biblio_info_168":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-03-20","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"27","bibliographicPageStart":"22","bibliographicVolumeNumber":"39","bibliographic_titles":[{"bibliographic_title":"国士舘大学紀要情報科学"},{"bibliographic_title":"MEMOIRS OF THE KOKUSHIKAN UNIVERSITY INFORMATION SCIENCE","bibliographic_titleLang":"en"}]}]},"item_10002_contributor_154":{"attribute_name":"関係者","attribute_value_mlt":[{"contributorNames":[{"contributorName":"杉本 , 徹"},{"contributorName":"スギモト, トオル","lang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"21151","nameIdentifierScheme":"WEKO"}]},{"contributorNames":[{"contributorName":"伊藤, 悦朗"},{"contributorName":"イトウ, エツロウ","lang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"21152","nameIdentifierScheme":"WEKO"}]}]},"item_10002_description_151":{"attribute_name":"著者ID","attribute_value_mlt":[{"subitem_description":"J-GLOBAL ID : 200901085417108282","subitem_description_type":"Other"}]},"item_10002_description_161":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"あらまし : フルボキサミンは，選択的セロトニン再取り込み阻害薬 (SSRI: Selective Serotonin Reuptake Inhibitors)の一種である．薬として効果があるのは，分子中のCN 結合部がトランス型の構造である．本研究ではフルボキサミンのトランス (E-isomer)‐シス (Z-isomer) の異性化過程を半経験的分子軌道法により求めた．得られた3つの反応座標とそれぞれのトランス型分子の励起エネルギー計算を行い，実験値と比較した．\nAbstract: Fluvoxamine, a selective serotonin reuptake inhibitor (SSRI), is used as antidepressant/ anxiolytic. Clinically effective fluvoxamine is in its trans (E) form. The purpose of our research is to clarify its trans-cis isomerization process. In this study, the isomerization process from trans (E-) isomer to cis (Z-) isomer of fluvoxamine was determined by semi-empirical molecular orbital method. It will be reported the Intrinsic Reaction Coordinate (IRC). The excitation energies obtained by the calculation will be compared with the experimental value.","subitem_description_type":"Abstract"}]},"item_10002_description_180":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_10002_full_name_155":{"attribute_name":"関係者(英)","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"21149","nameIdentifierScheme":"WEKO"}],"names":[{"name":"SUGIMOTO, Toru","nameLang":"en"}]},{"nameIdentifiers":[{"nameIdentifier":"21150","nameIdentifierScheme":"WEKO"}],"names":[{"name":"ITO, Etsuro","nameLang":"en"}]}]},"item_10002_heading_148":{"attribute_name":"見出し","attribute_value_mlt":[{"subitem_heading_banner_headline":"第9回森和英記念計算科学研究会報告書","subitem_heading_language":"ja"}]},"item_10002_publisher_169":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"国士舘大学全学教養教育運営センター情報科学部会"}]},"item_10002_source_id_170":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"2187-9516","subitem_source_identifier_type":"ISSN"}]},"item_10002_subject_177":{"attribute_name":"NDC","attribute_value_mlt":[{"subitem_subject":"491.371","subitem_subject_scheme":"NDC"},{"subitem_subject":"464.1","subitem_subject_scheme":"NDC"}]},"item_10002_text_147":{"attribute_name":"関連タイトル","attribute_value_mlt":[{"subitem_text_value":"第9回森和英記念計算科学研究会 = The Ninth Memorial Workshop for Kazuhide Mori on Computational Science"}]},"item_10002_textarea_160":{"attribute_name":"著作関係者詳細","attribute_value_mlt":[{"subitem_textarea_value":"杉本徹 : 関東学院大学\n伊藤悦朗 : 早稲田大学"}]},"item_10002_textarea_183":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_textarea_value":"フルボキサミン　半経験的分子軌道法　異性化　遷移状態  光吸収　fluvoxamine | semi-empirical molecular orbital method | isomerization | transition state | photoabsorption"}]},"item_10002_textarea_184":{"attribute_name":"注記","attribute_value_mlt":[{"subitem_textarea_value":"目次の日本語タイトル : 「選択的セロトニン再取り込阻害薬の異性化反応の理論的研究」\n目次の英語タイトル : 「Theoretical Study of Isomerization Reaction of Selective Serotonin Reuptake Inhibitor by Semi ―Empirical Molecular Orbital Method―」"}]},"item_10002_version_type_181":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"小田井, 圭"},{"creatorName":"オダイ, ケイ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"21147","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"ODAI, KEI","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"21148","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2018-12-27"}],"displaytype":"detail","filename":"2187_9516_039_05.pdf","filesize":[{"value":"489.1 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"本文","url":"https://kokushikan.repo.nii.ac.jp/record/13500/files/2187_9516_039_05.pdf"},"version_id":"bd524426-abfa-4503-a236-3ea548c67bd6"}]},"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":"departmental bulletin paper","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"半経験的分子軌道法による選択的セロトニン再取り込み阻害薬の異性化反応の研究","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"半経験的分子軌道法による選択的セロトニン再取り込み阻害薬の異性化反応の研究"},{"subitem_title":"Theoretical Study of Isomerization Reaction of Selective Serotonin Reuptake Inhibitor by Semi-Empirical Molecular Orbital Method","subitem_title_language":"en"}]},"item_type_id":"10002","owner":"3","path":["1110"],"pubdate":{"attribute_name":"公開日","attribute_value":"2018-12-27"},"publish_date":"2018-12-27","publish_status":"0","recid":"13500","relation_version_is_last":true,"title":["半経験的分子軌道法による選択的セロトニン再取り込み阻害薬の異性化反応の研究"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-06-19T14:09:11.689495+00:00"}